USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 743 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 7 SER OG : rot 180:sc= 0.00444 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0647 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -124:sc= 0.234 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -175:sc= -1.98! USER MOD Single : A 33 ASN :FLIP amide:sc= 0.27 F(o=-1.5!,f=0.27) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 38 THR OG1 : rot 45:sc= 0.0595 USER MOD Single : A 43 THR OG1 : rot 29:sc= 0.602 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.326 F(o=-0.9,f=-0.33) USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 75:sc= 0.303 USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ -157:sc= -0.0349 (180deg=-0.268) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.47) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 45:sc= 0.271 USER MOD Single : B 45 THR OG1 : rot 180:sc= -0.103 USER MOD Single : B 49 GLN :FLIP amide:sc= -0.258 F(o=-1,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 16 N ARG A 3 3.417 -2.543 1.013 1.00 0.00 N ATOM 17 CA ARG A 3 4.799 -2.868 1.345 1.00 0.00 C ATOM 18 C ARG A 3 5.376 -3.871 0.350 1.00 0.00 C ATOM 19 O ARG A 3 4.705 -4.823 -0.048 1.00 0.00 O ATOM 20 CB ARG A 3 4.886 -3.434 2.763 1.00 0.00 C ATOM 21 CG ARG A 3 6.225 -3.185 3.437 1.00 0.00 C ATOM 22 CD ARG A 3 7.217 -4.297 3.135 1.00 0.00 C ATOM 23 NE ARG A 3 7.587 -5.042 4.336 1.00 0.00 N ATOM 24 CZ ARG A 3 8.499 -4.624 5.207 1.00 0.00 C ATOM 25 NH1 ARG A 3 9.129 -3.474 5.013 1.00 0.00 N ATOM 26 NH2 ARG A 3 8.781 -5.357 6.276 1.00 0.00 N ATOM 0 HA ARG A 3 5.384 -1.950 1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.096 -2.993 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.700 -4.507 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.632 -2.232 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.082 -3.107 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.784 -4.980 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.112 -3.871 2.683 1.00 0.00 H new ATOM 0 HE ARG A 3 7.120 -5.931 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.914 -2.907 4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.829 -3.156 5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.298 -6.242 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.481 -5.036 6.944 1.00 0.00 H new ATOM 40 N VAL A 4 6.625 -3.650 -0.049 1.00 0.00 N ATOM 41 CA VAL A 4 7.293 -4.534 -0.997 1.00 0.00 C ATOM 42 C VAL A 4 8.686 -4.912 -0.508 1.00 0.00 C ATOM 43 O VAL A 4 9.525 -4.045 -0.261 1.00 0.00 O ATOM 44 CB VAL A 4 7.407 -3.882 -2.387 1.00 0.00 C ATOM 45 CG1 VAL A 4 7.990 -4.865 -3.392 1.00 0.00 C ATOM 46 CG2 VAL A 4 6.050 -3.375 -2.851 1.00 0.00 C ATOM 0 H VAL A 4 7.195 -2.866 0.270 1.00 0.00 H new ATOM 0 HA VAL A 4 6.683 -5.434 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 4 8.082 -3.029 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.063 -4.387 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.982 -5.175 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.343 -5.739 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.150 -2.917 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.350 -4.209 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.676 -2.635 -2.143 1.00 0.00 H new ATOM 56 N ARG A 5 8.927 -6.211 -0.370 1.00 0.00 N ATOM 57 CA ARG A 5 10.220 -6.704 0.090 1.00 0.00 C ATOM 58 C ARG A 5 10.746 -7.797 -0.836 1.00 0.00 C ATOM 59 O ARG A 5 10.045 -8.766 -1.130 1.00 0.00 O ATOM 60 CB ARG A 5 10.106 -7.242 1.517 1.00 0.00 C ATOM 61 CG ARG A 5 11.362 -7.944 2.006 1.00 0.00 C ATOM 62 CD ARG A 5 11.180 -8.500 3.410 1.00 0.00 C ATOM 63 NE ARG A 5 11.068 -9.956 3.412 1.00 0.00 N ATOM 64 CZ ARG A 5 10.732 -10.665 4.484 1.00 0.00 C ATOM 65 NH1 ARG A 5 10.477 -10.056 5.633 1.00 0.00 N ATOM 66 NH2 ARG A 5 10.651 -11.988 4.407 1.00 0.00 N ATOM 0 H ARG A 5 8.244 -6.942 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 5 10.923 -5.871 0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.876 -6.416 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.268 -7.937 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.616 -8.754 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.198 -7.245 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.025 -8.201 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.286 -8.067 3.858 1.00 0.00 H new ATOM 0 HE ARG A 5 11.258 -10.456 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.538 -9.040 5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.219 -10.603 6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.847 -12.460 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.393 -12.532 5.230 1.00 0.00 H new ATOM 80 N ILE A 6 11.983 -7.633 -1.293 1.00 0.00 N ATOM 81 CA ILE A 6 12.602 -8.605 -2.185 1.00 0.00 C ATOM 82 C ILE A 6 13.899 -9.147 -1.593 1.00 0.00 C ATOM 83 O ILE A 6 14.797 -8.383 -1.238 1.00 0.00 O ATOM 84 CB ILE A 6 12.898 -7.993 -3.567 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.669 -7.249 -4.093 1.00 0.00 C ATOM 86 CG2 ILE A 6 13.327 -9.077 -4.546 1.00 0.00 C ATOM 87 CD1 ILE A 6 11.882 -6.613 -5.449 1.00 0.00 C ATOM 0 H ILE A 6 12.576 -6.836 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 6 11.890 -9.422 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 6 13.715 -7.279 -3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.832 -7.945 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.389 -6.476 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.533 -8.629 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.227 -9.567 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.529 -9.812 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.970 -6.103 -5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.698 -5.893 -5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.132 -7.384 -6.177 1.00 0.00 H new ATOM 99 N SER A 7 13.990 -10.469 -1.491 1.00 0.00 N ATOM 100 CA SER A 7 15.177 -11.113 -0.940 1.00 0.00 C ATOM 101 C SER A 7 15.957 -11.840 -2.032 1.00 0.00 C ATOM 102 O SER A 7 15.410 -12.681 -2.745 1.00 0.00 O ATOM 103 CB SER A 7 14.783 -12.097 0.163 1.00 0.00 C ATOM 104 OG SER A 7 13.390 -12.356 0.142 1.00 0.00 O ATOM 0 H SER A 7 13.256 -11.115 -1.782 1.00 0.00 H new ATOM 0 HA SER A 7 15.816 -10.339 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.331 -13.030 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.066 -11.692 1.134 1.00 0.00 H new ATOM 0 HG SER A 7 13.164 -12.989 0.855 1.00 0.00 H new ATOM 110 N ILE A 8 17.238 -11.509 -2.155 1.00 0.00 N ATOM 111 CA ILE A 8 18.094 -12.130 -3.158 1.00 0.00 C ATOM 112 C ILE A 8 19.140 -13.029 -2.507 1.00 0.00 C ATOM 113 O ILE A 8 19.767 -12.654 -1.516 1.00 0.00 O ATOM 114 CB ILE A 8 18.807 -11.073 -4.022 1.00 0.00 C ATOM 115 CG1 ILE A 8 19.840 -10.313 -3.187 1.00 0.00 C ATOM 116 CG2 ILE A 8 17.795 -10.111 -4.626 1.00 0.00 C ATOM 117 CD1 ILE A 8 20.424 -9.111 -3.896 1.00 0.00 C ATOM 0 H ILE A 8 17.706 -10.814 -1.573 1.00 0.00 H new ATOM 0 HA ILE A 8 17.447 -12.732 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 8 19.326 -11.580 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 8 19.374 -9.986 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 8 20.648 -10.993 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 8 18.315 -9.370 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 8 17.094 -10.665 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 8 17.250 -9.607 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 8 21.148 -8.621 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 8 20.919 -9.434 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 8 19.626 -8.411 -4.143 1.00 0.00 H new ATOM 129 N THR A 9 19.325 -14.218 -3.073 1.00 0.00 N ATOM 130 CA THR A 9 20.295 -15.171 -2.549 1.00 0.00 C ATOM 131 C THR A 9 21.406 -15.435 -3.559 1.00 0.00 C ATOM 132 O THR A 9 21.253 -16.255 -4.464 1.00 0.00 O ATOM 133 CB THR A 9 19.626 -16.507 -2.178 1.00 0.00 C ATOM 134 OG1 THR A 9 18.234 -16.301 -1.912 1.00 0.00 O ATOM 135 CG2 THR A 9 20.294 -17.127 -0.960 1.00 0.00 C ATOM 0 H THR A 9 18.815 -14.543 -3.894 1.00 0.00 H new ATOM 0 HA THR A 9 20.722 -14.726 -1.650 1.00 0.00 H new ATOM 0 HB THR A 9 19.737 -17.190 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 9 17.816 -17.156 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.804 -18.070 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 9 21.347 -17.310 -1.176 1.00 0.00 H new ATOM 0 HG23 THR A 9 20.210 -16.446 -0.113 1.00 0.00 H new ATOM 143 N ALA A 10 22.524 -14.735 -3.398 1.00 0.00 N ATOM 144 CA ALA A 10 23.662 -14.897 -4.295 1.00 0.00 C ATOM 145 C ALA A 10 24.750 -15.750 -3.652 1.00 0.00 C ATOM 146 O ALA A 10 24.743 -15.975 -2.442 1.00 0.00 O ATOM 147 CB ALA A 10 24.220 -13.537 -4.690 1.00 0.00 C ATOM 0 H ALA A 10 22.666 -14.051 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 10 23.316 -15.411 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 10 25.069 -13.673 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 10 23.447 -12.960 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 10 24.544 -13.003 -3.797 1.00 0.00 H new ATOM 153 N ARG A 11 25.684 -16.225 -4.470 1.00 0.00 N ATOM 154 CA ARG A 11 26.778 -17.056 -3.981 1.00 0.00 C ATOM 155 C ARG A 11 27.744 -16.237 -3.130 1.00 0.00 C ATOM 156 O ARG A 11 28.106 -16.637 -2.023 1.00 0.00 O ATOM 157 CB ARG A 11 27.527 -17.691 -5.154 1.00 0.00 C ATOM 158 CG ARG A 11 28.366 -18.896 -4.759 1.00 0.00 C ATOM 159 CD ARG A 11 29.132 -19.455 -5.948 1.00 0.00 C ATOM 160 NE ARG A 11 30.450 -19.953 -5.565 1.00 0.00 N ATOM 161 CZ ARG A 11 31.238 -20.648 -6.378 1.00 0.00 C ATOM 162 NH1 ARG A 11 30.842 -20.926 -7.612 1.00 0.00 N ATOM 163 NH2 ARG A 11 32.424 -21.067 -5.956 1.00 0.00 N ATOM 0 H ARG A 11 25.705 -16.049 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 11 26.353 -17.845 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 11 26.806 -17.994 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 11 28.174 -16.942 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 11 29.067 -18.611 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 11 27.720 -19.670 -4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 11 28.557 -20.262 -6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 11 29.244 -18.678 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 11 30.784 -19.757 -4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 11 29.930 -20.606 -7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 11 31.449 -21.460 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 11 32.731 -20.856 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 11 33.028 -21.601 -6.581 1.00 0.00 H new ATOM 177 N THR A 12 28.159 -15.088 -3.654 1.00 0.00 N ATOM 178 CA THR A 12 29.085 -14.214 -2.944 1.00 0.00 C ATOM 179 C THR A 12 28.431 -12.879 -2.608 1.00 0.00 C ATOM 180 O THR A 12 27.511 -12.436 -3.296 1.00 0.00 O ATOM 181 CB THR A 12 30.359 -13.956 -3.769 1.00 0.00 C ATOM 182 OG1 THR A 12 31.145 -12.932 -3.150 1.00 0.00 O ATOM 183 CG2 THR A 12 30.009 -13.544 -5.191 1.00 0.00 C ATOM 0 H THR A 12 27.868 -14.741 -4.568 1.00 0.00 H new ATOM 0 HA THR A 12 29.357 -14.725 -2.021 1.00 0.00 H new ATOM 0 HB THR A 12 30.934 -14.881 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 12 31.954 -12.775 -3.680 1.00 0.00 H new ATOM 0 HG21 THR A 12 30.925 -13.367 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.436 -14.338 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 12 29.414 -12.631 -5.169 1.00 0.00 H new ATOM 191 N LYS A 13 28.913 -12.240 -1.548 1.00 0.00 N ATOM 192 CA LYS A 13 28.377 -10.952 -1.121 1.00 0.00 C ATOM 193 C LYS A 13 28.464 -9.927 -2.247 1.00 0.00 C ATOM 194 O LYS A 13 27.558 -9.114 -2.432 1.00 0.00 O ATOM 195 CB LYS A 13 29.136 -10.443 0.107 1.00 0.00 C ATOM 196 CG LYS A 13 30.639 -10.361 -0.098 1.00 0.00 C ATOM 197 CD LYS A 13 31.382 -10.357 1.227 1.00 0.00 C ATOM 198 CE LYS A 13 32.345 -9.183 1.323 1.00 0.00 C ATOM 199 NZ LYS A 13 32.898 -9.029 2.697 1.00 0.00 N ATOM 0 H LYS A 13 29.674 -12.593 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 13 27.328 -11.091 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 13 28.760 -9.455 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 13 28.928 -11.101 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 13 30.972 -11.206 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.882 -9.457 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.665 -10.309 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 13 31.933 -11.291 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.163 -9.326 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 13 31.830 -8.267 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 33.549 -8.219 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 32.120 -8.867 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 33.411 -9.893 2.964 1.00 0.00 H new ATOM 213 N LYS A 14 29.559 -9.971 -2.998 1.00 0.00 N ATOM 214 CA LYS A 14 29.764 -9.048 -4.108 1.00 0.00 C ATOM 215 C LYS A 14 28.645 -9.177 -5.136 1.00 0.00 C ATOM 216 O LYS A 14 28.207 -8.185 -5.718 1.00 0.00 O ATOM 217 CB LYS A 14 31.116 -9.310 -4.774 1.00 0.00 C ATOM 218 CG LYS A 14 32.299 -8.791 -3.975 1.00 0.00 C ATOM 219 CD LYS A 14 32.255 -7.279 -3.832 1.00 0.00 C ATOM 220 CE LYS A 14 31.942 -6.863 -2.403 1.00 0.00 C ATOM 221 NZ LYS A 14 32.245 -5.425 -2.165 1.00 0.00 N ATOM 0 H LYS A 14 30.319 -10.637 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 14 29.753 -8.033 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 14 31.234 -10.383 -4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.122 -8.845 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 14 32.302 -9.251 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 14 33.227 -9.084 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 33.213 -6.856 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 14 31.501 -6.871 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 14 30.889 -7.052 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 14 32.521 -7.475 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.906 -5.337 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.676 -5.015 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 31.365 -4.917 -1.943 1.00 0.00 H new ATOM 235 N GLU A 15 28.186 -10.406 -5.354 1.00 0.00 N ATOM 236 CA GLU A 15 27.117 -10.663 -6.312 1.00 0.00 C ATOM 237 C GLU A 15 25.805 -10.040 -5.844 1.00 0.00 C ATOM 238 O GLU A 15 25.145 -9.322 -6.594 1.00 0.00 O ATOM 239 CB GLU A 15 26.936 -12.169 -6.515 1.00 0.00 C ATOM 240 CG GLU A 15 27.852 -12.755 -7.576 1.00 0.00 C ATOM 241 CD GLU A 15 27.541 -12.237 -8.967 1.00 0.00 C ATOM 242 OE1 GLU A 15 26.378 -11.853 -9.211 1.00 0.00 O ATOM 243 OE2 GLU A 15 28.461 -12.215 -9.811 1.00 0.00 O ATOM 0 H GLU A 15 28.538 -11.238 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 15 27.397 -10.206 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.117 -12.679 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 15 25.900 -12.368 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.887 -12.519 -7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.762 -13.841 -7.568 1.00 0.00 H new ATOM 250 N ALA A 16 25.435 -10.320 -4.599 1.00 0.00 N ATOM 251 CA ALA A 16 24.204 -9.787 -4.030 1.00 0.00 C ATOM 252 C ALA A 16 24.219 -8.262 -4.019 1.00 0.00 C ATOM 253 O ALA A 16 23.209 -7.621 -4.306 1.00 0.00 O ATOM 254 CB ALA A 16 23.997 -10.325 -2.621 1.00 0.00 C ATOM 0 H ALA A 16 25.970 -10.913 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 16 23.373 -10.111 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.074 -9.918 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.932 -11.413 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.837 -10.030 -1.992 1.00 0.00 H new ATOM 260 N GLU A 17 25.371 -7.689 -3.685 1.00 0.00 N ATOM 261 CA GLU A 17 25.516 -6.239 -3.636 1.00 0.00 C ATOM 262 C GLU A 17 25.229 -5.617 -4.999 1.00 0.00 C ATOM 263 O GLU A 17 24.599 -4.563 -5.094 1.00 0.00 O ATOM 264 CB GLU A 17 26.926 -5.860 -3.177 1.00 0.00 C ATOM 265 CG GLU A 17 27.021 -5.555 -1.691 1.00 0.00 C ATOM 266 CD GLU A 17 28.058 -4.494 -1.379 1.00 0.00 C ATOM 267 OE1 GLU A 17 29.255 -4.740 -1.634 1.00 0.00 O ATOM 268 OE2 GLU A 17 27.671 -3.416 -0.880 1.00 0.00 O ATOM 0 H GLU A 17 26.217 -8.206 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 17 24.792 -5.852 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.608 -6.676 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.261 -4.989 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 17 26.048 -5.224 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.268 -6.469 -1.151 1.00 0.00 H new ATOM 275 N LYS A 18 25.695 -6.277 -6.054 1.00 0.00 N ATOM 276 CA LYS A 18 25.489 -5.791 -7.413 1.00 0.00 C ATOM 277 C LYS A 18 24.002 -5.721 -7.747 1.00 0.00 C ATOM 278 O LYS A 18 23.528 -4.734 -8.309 1.00 0.00 O ATOM 279 CB LYS A 18 26.205 -6.699 -8.415 1.00 0.00 C ATOM 280 CG LYS A 18 27.707 -6.774 -8.203 1.00 0.00 C ATOM 281 CD LYS A 18 28.458 -5.952 -9.238 1.00 0.00 C ATOM 282 CE LYS A 18 29.940 -5.862 -8.909 1.00 0.00 C ATOM 283 NZ LYS A 18 30.534 -4.578 -9.374 1.00 0.00 N ATOM 0 H LYS A 18 26.218 -7.151 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 18 25.906 -4.786 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.786 -7.703 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.007 -6.339 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.953 -6.415 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.032 -7.813 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.329 -6.400 -10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.033 -4.949 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 18 30.080 -5.958 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 18 30.467 -6.695 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 31.545 -4.555 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 30.424 -4.498 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 30.049 -3.783 -8.911 1.00 0.00 H new ATOM 297 N PHE A 19 23.272 -6.773 -7.395 1.00 0.00 N ATOM 298 CA PHE A 19 21.838 -6.831 -7.656 1.00 0.00 C ATOM 299 C PHE A 19 21.097 -5.761 -6.860 1.00 0.00 C ATOM 300 O PHE A 19 20.201 -5.095 -7.379 1.00 0.00 O ATOM 301 CB PHE A 19 21.289 -8.215 -7.305 1.00 0.00 C ATOM 302 CG PHE A 19 21.386 -9.202 -8.433 1.00 0.00 C ATOM 303 CD1 PHE A 19 22.514 -9.993 -8.584 1.00 0.00 C ATOM 304 CD2 PHE A 19 20.350 -9.339 -9.343 1.00 0.00 C ATOM 305 CE1 PHE A 19 22.606 -10.903 -9.621 1.00 0.00 C ATOM 306 CE2 PHE A 19 20.437 -10.247 -10.381 1.00 0.00 C ATOM 307 CZ PHE A 19 21.567 -11.029 -10.521 1.00 0.00 C ATOM 0 H PHE A 19 23.649 -7.598 -6.928 1.00 0.00 H new ATOM 0 HA PHE A 19 21.680 -6.644 -8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.832 -8.605 -6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 19 20.245 -8.118 -7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 19 23.331 -9.898 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 19 19.465 -8.729 -9.240 1.00 0.00 H new ATOM 0 HE1 PHE A 19 23.490 -11.515 -9.727 1.00 0.00 H new ATOM 0 HE2 PHE A 19 19.622 -10.345 -11.083 1.00 0.00 H new ATOM 0 HZ PHE A 19 21.637 -11.738 -11.333 1.00 0.00 H new ATOM 317 N ALA A 20 21.477 -5.602 -5.597 1.00 0.00 N ATOM 318 CA ALA A 20 20.850 -4.612 -4.729 1.00 0.00 C ATOM 319 C ALA A 20 20.923 -3.218 -5.343 1.00 0.00 C ATOM 320 O ALA A 20 19.955 -2.461 -5.302 1.00 0.00 O ATOM 321 CB ALA A 20 21.508 -4.622 -3.357 1.00 0.00 C ATOM 0 H ALA A 20 22.216 -6.146 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 20 19.798 -4.876 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.030 -3.878 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.399 -5.609 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 20 22.567 -4.386 -3.460 1.00 0.00 H new ATOM 327 N ALA A 21 22.078 -2.887 -5.911 1.00 0.00 N ATOM 328 CA ALA A 21 22.277 -1.585 -6.535 1.00 0.00 C ATOM 329 C ALA A 21 21.204 -1.309 -7.583 1.00 0.00 C ATOM 330 O ALA A 21 20.633 -0.219 -7.628 1.00 0.00 O ATOM 331 CB ALA A 21 23.661 -1.504 -7.160 1.00 0.00 C ATOM 0 H ALA A 21 22.890 -3.503 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 21 22.196 -0.823 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 21 23.795 -0.526 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 21 24.418 -1.647 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 21 23.764 -2.281 -7.918 1.00 0.00 H new ATOM 337 N ILE A 22 20.937 -2.302 -8.425 1.00 0.00 N ATOM 338 CA ILE A 22 19.932 -2.166 -9.472 1.00 0.00 C ATOM 339 C ILE A 22 18.534 -2.027 -8.879 1.00 0.00 C ATOM 340 O ILE A 22 17.778 -1.128 -9.248 1.00 0.00 O ATOM 341 CB ILE A 22 19.953 -3.369 -10.433 1.00 0.00 C ATOM 342 CG1 ILE A 22 21.327 -3.500 -11.092 1.00 0.00 C ATOM 343 CG2 ILE A 22 18.865 -3.225 -11.486 1.00 0.00 C ATOM 344 CD1 ILE A 22 21.718 -4.929 -11.398 1.00 0.00 C ATOM 0 H ILE A 22 21.403 -3.209 -8.402 1.00 0.00 H new ATOM 0 HA ILE A 22 20.178 -1.262 -10.029 1.00 0.00 H new ATOM 0 HB ILE A 22 19.759 -4.276 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.333 -2.924 -12.018 1.00 0.00 H new ATOM 0 HG13 ILE A 22 22.078 -3.059 -10.437 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.893 -4.083 -12.158 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.891 -3.177 -10.999 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.030 -2.312 -12.057 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.703 -4.945 -11.864 1.00 0.00 H new ATOM 0 HD12 ILE A 22 21.745 -5.505 -10.473 1.00 0.00 H new ATOM 0 HD13 ILE A 22 20.988 -5.368 -12.078 1.00 0.00 H new ATOM 356 N LEU A 23 18.198 -2.922 -7.957 1.00 0.00 N ATOM 357 CA LEU A 23 16.891 -2.899 -7.309 1.00 0.00 C ATOM 358 C LEU A 23 16.587 -1.515 -6.745 1.00 0.00 C ATOM 359 O LEU A 23 15.468 -1.015 -6.869 1.00 0.00 O ATOM 360 CB LEU A 23 16.835 -3.942 -6.192 1.00 0.00 C ATOM 361 CG LEU A 23 15.890 -5.122 -6.421 1.00 0.00 C ATOM 362 CD1 LEU A 23 14.448 -4.644 -6.498 1.00 0.00 C ATOM 363 CD2 LEU A 23 16.273 -5.874 -7.687 1.00 0.00 C ATOM 0 H LEU A 23 18.812 -3.673 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 23 16.137 -3.139 -8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 23 17.841 -4.333 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 23 16.542 -3.441 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 23 15.980 -5.804 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.790 -5.498 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.178 -4.151 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.341 -3.941 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.590 -6.710 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.212 -5.201 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.292 -6.250 -7.593 1.00 0.00 H new ATOM 375 N ILE A 24 17.589 -0.901 -6.126 1.00 0.00 N ATOM 376 CA ILE A 24 17.430 0.426 -5.545 1.00 0.00 C ATOM 377 C ILE A 24 16.994 1.438 -6.599 1.00 0.00 C ATOM 378 O ILE A 24 16.090 2.241 -6.369 1.00 0.00 O ATOM 379 CB ILE A 24 18.735 0.915 -4.889 1.00 0.00 C ATOM 380 CG1 ILE A 24 19.161 -0.044 -3.775 1.00 0.00 C ATOM 381 CG2 ILE A 24 18.559 2.324 -4.344 1.00 0.00 C ATOM 382 CD1 ILE A 24 20.661 -0.189 -3.644 1.00 0.00 C ATOM 0 H ILE A 24 18.520 -1.302 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 24 16.658 0.345 -4.780 1.00 0.00 H new ATOM 0 HB ILE A 24 19.519 0.935 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.754 0.309 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 24 18.724 -1.025 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 24 19.490 2.655 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.297 2.999 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.764 2.329 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.890 -0.883 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 24 21.073 -0.571 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 24 21.103 0.783 -3.424 1.00 0.00 H new ATOM 394 N LYS A 25 17.643 1.394 -7.758 1.00 0.00 N ATOM 395 CA LYS A 25 17.322 2.304 -8.851 1.00 0.00 C ATOM 396 C LYS A 25 15.899 2.076 -9.349 1.00 0.00 C ATOM 397 O LYS A 25 15.182 3.024 -9.667 1.00 0.00 O ATOM 398 CB LYS A 25 18.313 2.120 -10.003 1.00 0.00 C ATOM 399 CG LYS A 25 19.767 2.210 -9.574 1.00 0.00 C ATOM 400 CD LYS A 25 20.212 3.653 -9.408 1.00 0.00 C ATOM 401 CE LYS A 25 19.925 4.166 -8.005 1.00 0.00 C ATOM 402 NZ LYS A 25 19.449 5.577 -8.017 1.00 0.00 N ATOM 0 H LYS A 25 18.395 0.737 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 25 17.397 3.324 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.140 1.150 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.119 2.878 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.903 1.676 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.397 1.717 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.279 3.732 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.699 4.279 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.173 3.533 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.828 4.093 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.264 5.889 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.177 6.185 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.573 5.643 -8.573 1.00 0.00 H new ATOM 416 N VAL A 26 15.495 0.811 -9.413 1.00 0.00 N ATOM 417 CA VAL A 26 14.156 0.458 -9.870 1.00 0.00 C ATOM 418 C VAL A 26 13.097 0.912 -8.872 1.00 0.00 C ATOM 419 O VAL A 26 12.036 1.403 -9.257 1.00 0.00 O ATOM 420 CB VAL A 26 14.020 -1.060 -10.091 1.00 0.00 C ATOM 421 CG1 VAL A 26 12.754 -1.375 -10.873 1.00 0.00 C ATOM 422 CG2 VAL A 26 15.248 -1.607 -10.805 1.00 0.00 C ATOM 0 H VAL A 26 16.076 0.014 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 26 14.000 0.971 -10.819 1.00 0.00 H new ATOM 0 HB VAL A 26 13.947 -1.546 -9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.675 -2.452 -11.019 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.886 -1.020 -10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.793 -0.879 -11.843 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.135 -2.681 -10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.355 -1.117 -11.773 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.135 -1.415 -10.201 1.00 0.00 H new ATOM 432 N PHE A 27 13.393 0.745 -7.587 1.00 0.00 N ATOM 433 CA PHE A 27 12.466 1.138 -6.532 1.00 0.00 C ATOM 434 C PHE A 27 12.292 2.654 -6.497 1.00 0.00 C ATOM 435 O PHE A 27 11.181 3.158 -6.341 1.00 0.00 O ATOM 436 CB PHE A 27 12.965 0.639 -5.174 1.00 0.00 C ATOM 437 CG PHE A 27 12.461 -0.731 -4.817 1.00 0.00 C ATOM 438 CD1 PHE A 27 11.101 -0.985 -4.743 1.00 0.00 C ATOM 439 CD2 PHE A 27 13.347 -1.763 -4.557 1.00 0.00 C ATOM 440 CE1 PHE A 27 10.635 -2.244 -4.414 1.00 0.00 C ATOM 441 CE2 PHE A 27 12.887 -3.024 -4.227 1.00 0.00 C ATOM 442 CZ PHE A 27 11.529 -3.265 -4.157 1.00 0.00 C ATOM 0 H PHE A 27 14.267 0.340 -7.251 1.00 0.00 H new ATOM 0 HA PHE A 27 11.498 0.684 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 27 14.055 0.627 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 27 12.657 1.344 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.397 -0.191 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.410 -1.580 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.572 -2.429 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 27 13.589 -3.820 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 27 11.167 -4.250 -3.902 1.00 0.00 H new ATOM 452 N ALA A 28 13.400 3.374 -6.641 1.00 0.00 N ATOM 453 CA ALA A 28 13.371 4.831 -6.627 1.00 0.00 C ATOM 454 C ALA A 28 12.561 5.375 -7.799 1.00 0.00 C ATOM 455 O ALA A 28 11.734 6.270 -7.631 1.00 0.00 O ATOM 456 CB ALA A 28 14.787 5.387 -6.659 1.00 0.00 C ATOM 0 H ALA A 28 14.329 2.972 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 28 12.887 5.151 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.750 6.476 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.336 5.034 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.290 5.050 -7.565 1.00 0.00 H new ATOM 462 N GLU A 29 12.805 4.828 -8.986 1.00 0.00 N ATOM 463 CA GLU A 29 12.099 5.261 -10.186 1.00 0.00 C ATOM 464 C GLU A 29 10.632 4.842 -10.135 1.00 0.00 C ATOM 465 O GLU A 29 9.794 5.385 -10.855 1.00 0.00 O ATOM 466 CB GLU A 29 12.764 4.679 -11.435 1.00 0.00 C ATOM 467 CG GLU A 29 12.240 3.305 -11.818 1.00 0.00 C ATOM 468 CD GLU A 29 11.201 3.363 -12.921 1.00 0.00 C ATOM 469 OE1 GLU A 29 11.551 3.789 -14.042 1.00 0.00 O ATOM 470 OE2 GLU A 29 10.040 2.985 -12.664 1.00 0.00 O ATOM 0 H GLU A 29 13.486 4.085 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 29 12.147 6.349 -10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.611 5.363 -12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.839 4.615 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.073 2.680 -12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.805 2.828 -10.939 1.00 0.00 H new ATOM 477 N LEU A 30 10.330 3.872 -9.278 1.00 0.00 N ATOM 478 CA LEU A 30 8.965 3.379 -9.132 1.00 0.00 C ATOM 479 C LEU A 30 8.204 4.184 -8.084 1.00 0.00 C ATOM 480 O LEU A 30 6.986 4.065 -7.959 1.00 0.00 O ATOM 481 CB LEU A 30 8.976 1.899 -8.746 1.00 0.00 C ATOM 482 CG LEU A 30 9.254 0.911 -9.880 1.00 0.00 C ATOM 483 CD1 LEU A 30 9.638 -0.450 -9.320 1.00 0.00 C ATOM 484 CD2 LEU A 30 8.042 0.792 -10.793 1.00 0.00 C ATOM 0 H LEU A 30 11.012 3.412 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 30 8.458 3.495 -10.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.728 1.752 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.010 1.652 -8.305 1.00 0.00 H new ATOM 0 HG LEU A 30 10.091 1.288 -10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.832 -1.140 -10.141 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.535 -0.352 -8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.822 -0.835 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.258 0.085 -11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.186 0.438 -10.218 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.813 1.767 -11.222 1.00 0.00 H new ATOM 496 N GLY A 31 8.931 5.006 -7.334 1.00 0.00 N ATOM 497 CA GLY A 31 8.308 5.821 -6.307 1.00 0.00 C ATOM 498 C GLY A 31 8.421 5.203 -4.928 1.00 0.00 C ATOM 499 O GLY A 31 7.783 5.662 -3.980 1.00 0.00 O ATOM 0 H GLY A 31 9.941 5.122 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.772 6.807 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.256 5.966 -6.551 1.00 0.00 H new ATOM 503 N TYR A 32 9.234 4.158 -4.815 1.00 0.00 N ATOM 504 CA TYR A 32 9.426 3.474 -3.542 1.00 0.00 C ATOM 505 C TYR A 32 10.645 4.022 -2.807 1.00 0.00 C ATOM 506 O TYR A 32 11.370 3.279 -2.146 1.00 0.00 O ATOM 507 CB TYR A 32 9.585 1.969 -3.767 1.00 0.00 C ATOM 508 CG TYR A 32 8.344 1.305 -4.319 1.00 0.00 C ATOM 509 CD1 TYR A 32 7.923 1.548 -5.621 1.00 0.00 C ATOM 510 CD2 TYR A 32 7.593 0.433 -3.540 1.00 0.00 C ATOM 511 CE1 TYR A 32 6.790 0.944 -6.130 1.00 0.00 C ATOM 512 CE2 TYR A 32 6.459 -0.177 -4.041 1.00 0.00 C ATOM 513 CZ TYR A 32 6.062 0.082 -5.336 1.00 0.00 C ATOM 514 OH TYR A 32 4.933 -0.523 -5.840 1.00 0.00 O ATOM 0 H TYR A 32 9.770 3.767 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 32 8.544 3.651 -2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.414 1.798 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.851 1.495 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.492 2.221 -6.246 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.901 0.229 -2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.476 1.145 -7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.887 -0.853 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 32 4.493 -1.037 -5.131 1.00 0.00 H new ATOM 524 N ASN A 33 10.864 5.327 -2.928 1.00 0.00 N ATOM 525 CA ASN A 33 11.996 5.976 -2.276 1.00 0.00 C ATOM 526 C ASN A 33 12.076 5.581 -0.805 1.00 0.00 C ATOM 527 O ASN A 33 11.099 5.106 -0.225 1.00 0.00 O ATOM 528 CB ASN A 33 11.880 7.496 -2.402 1.00 0.00 C ATOM 529 CG ASN A 33 10.448 7.979 -2.277 1.00 0.00 C ATOM 530 OD1 ASN A 33 9.713 7.942 -3.382 1.00 0.00 O flip ATOM 531 ND2 ASN A 33 10.008 8.381 -1.200 1.00 0.00 N flip ATOM 0 H ASN A 33 10.273 5.956 -3.471 1.00 0.00 H new ATOM 0 HA ASN A 33 12.908 5.645 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.489 7.969 -1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.284 7.810 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.609 8.392 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.043 8.703 -1.132 1.00 0.00 H new ATOM 538 N ASP A 34 13.245 5.780 -0.207 1.00 0.00 N ATOM 539 CA ASP A 34 13.453 5.446 1.197 1.00 0.00 C ATOM 540 C ASP A 34 13.440 3.935 1.404 1.00 0.00 C ATOM 541 O ASP A 34 12.602 3.406 2.136 1.00 0.00 O ATOM 542 CB ASP A 34 12.376 6.102 2.064 1.00 0.00 C ATOM 543 CG ASP A 34 12.870 6.414 3.463 1.00 0.00 C ATOM 544 OD1 ASP A 34 13.142 5.461 4.223 1.00 0.00 O ATOM 545 OD2 ASP A 34 12.985 7.611 3.797 1.00 0.00 O ATOM 0 H ASP A 34 14.064 6.171 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 34 14.430 5.827 1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.040 7.023 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.511 5.441 2.126 1.00 0.00 H new ATOM 550 N ILE A 35 14.372 3.246 0.755 1.00 0.00 N ATOM 551 CA ILE A 35 14.467 1.796 0.868 1.00 0.00 C ATOM 552 C ILE A 35 15.382 1.393 2.019 1.00 0.00 C ATOM 553 O ILE A 35 16.333 2.102 2.346 1.00 0.00 O ATOM 554 CB ILE A 35 14.990 1.162 -0.435 1.00 0.00 C ATOM 555 CG1 ILE A 35 13.959 0.183 -1.001 1.00 0.00 C ATOM 556 CG2 ILE A 35 16.316 0.459 -0.187 1.00 0.00 C ATOM 557 CD1 ILE A 35 12.874 0.852 -1.816 1.00 0.00 C ATOM 0 H ILE A 35 15.072 3.668 0.145 1.00 0.00 H new ATOM 0 HA ILE A 35 13.459 1.428 1.062 1.00 0.00 H new ATOM 0 HB ILE A 35 15.152 1.953 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.470 -0.550 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.499 -0.364 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 16.673 0.016 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 35 17.048 1.181 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 35 16.179 -0.324 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 35 12.179 0.098 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 35 12.337 1.565 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.323 1.376 -2.660 1.00 0.00 H new ATOM 569 N ASN A 36 15.089 0.249 2.629 1.00 0.00 N ATOM 570 CA ASN A 36 15.887 -0.249 3.743 1.00 0.00 C ATOM 571 C ASN A 36 16.335 -1.686 3.492 1.00 0.00 C ATOM 572 O ASN A 36 15.511 -2.580 3.300 1.00 0.00 O ATOM 573 CB ASN A 36 15.087 -0.173 5.045 1.00 0.00 C ATOM 574 CG ASN A 36 15.281 1.146 5.767 1.00 0.00 C ATOM 575 OD1 ASN A 36 14.868 2.199 5.281 1.00 0.00 O ATOM 576 ND2 ASN A 36 15.913 1.094 6.934 1.00 0.00 N ATOM 0 H ASN A 36 14.305 -0.350 2.371 1.00 0.00 H new ATOM 0 HA ASN A 36 16.773 0.379 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.028 -0.312 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.387 -0.990 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.073 1.950 7.466 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.238 0.199 7.298 1.00 0.00 H new ATOM 583 N VAL A 37 17.647 -1.900 3.495 1.00 0.00 N ATOM 584 CA VAL A 37 18.206 -3.227 3.269 1.00 0.00 C ATOM 585 C VAL A 37 18.632 -3.875 4.582 1.00 0.00 C ATOM 586 O VAL A 37 19.234 -3.228 5.439 1.00 0.00 O ATOM 587 CB VAL A 37 19.417 -3.173 2.319 1.00 0.00 C ATOM 588 CG1 VAL A 37 20.583 -2.455 2.981 1.00 0.00 C ATOM 589 CG2 VAL A 37 19.819 -4.575 1.888 1.00 0.00 C ATOM 0 H VAL A 37 18.343 -1.171 3.652 1.00 0.00 H new ATOM 0 HA VAL A 37 17.420 -3.827 2.809 1.00 0.00 H new ATOM 0 HB VAL A 37 19.134 -2.611 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 37 21.430 -2.427 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.287 -1.437 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 37 20.869 -2.986 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 37 20.676 -4.518 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 37 20.084 -5.164 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.985 -5.050 1.371 1.00 0.00 H new ATOM 599 N THR A 38 18.316 -5.157 4.733 1.00 0.00 N ATOM 600 CA THR A 38 18.665 -5.893 5.941 1.00 0.00 C ATOM 601 C THR A 38 19.321 -7.227 5.602 1.00 0.00 C ATOM 602 O THR A 38 18.709 -8.087 4.969 1.00 0.00 O ATOM 603 CB THR A 38 17.426 -6.152 6.819 1.00 0.00 C ATOM 604 OG1 THR A 38 16.331 -6.586 6.006 1.00 0.00 O ATOM 605 CG2 THR A 38 17.032 -4.896 7.582 1.00 0.00 C ATOM 0 H THR A 38 17.819 -5.707 4.033 1.00 0.00 H new ATOM 0 HA THR A 38 19.371 -5.274 6.495 1.00 0.00 H new ATOM 0 HB THR A 38 17.674 -6.932 7.538 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.644 -7.261 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.155 -5.103 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.857 -4.585 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.801 -4.099 6.876 1.00 0.00 H new ATOM 613 N TRP A 39 20.568 -7.393 6.028 1.00 0.00 N ATOM 614 CA TRP A 39 21.307 -8.623 5.770 1.00 0.00 C ATOM 615 C TRP A 39 21.462 -9.443 7.046 1.00 0.00 C ATOM 616 O TRP A 39 21.663 -8.891 8.128 1.00 0.00 O ATOM 617 CB TRP A 39 22.683 -8.303 5.184 1.00 0.00 C ATOM 618 CG TRP A 39 23.504 -7.401 6.054 1.00 0.00 C ATOM 619 CD1 TRP A 39 23.555 -6.037 6.003 1.00 0.00 C ATOM 620 CD2 TRP A 39 24.392 -7.799 7.104 1.00 0.00 C ATOM 621 NE1 TRP A 39 24.422 -5.563 6.958 1.00 0.00 N ATOM 622 CE2 TRP A 39 24.948 -6.624 7.647 1.00 0.00 C ATOM 623 CE3 TRP A 39 24.771 -9.033 7.639 1.00 0.00 C ATOM 624 CZ2 TRP A 39 25.862 -6.649 8.697 1.00 0.00 C ATOM 625 CZ3 TRP A 39 25.678 -9.057 8.681 1.00 0.00 C ATOM 626 CH2 TRP A 39 26.215 -7.871 9.202 1.00 0.00 C ATOM 0 H TRP A 39 21.089 -6.691 6.554 1.00 0.00 H new ATOM 0 HA TRP A 39 20.741 -9.212 5.048 1.00 0.00 H new ATOM 0 HB2 TRP A 39 23.227 -9.234 5.023 1.00 0.00 H new ATOM 0 HB3 TRP A 39 22.554 -7.836 4.208 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.996 -5.422 5.314 1.00 0.00 H new ATOM 0 HE1 TRP A 39 24.639 -4.581 7.127 1.00 0.00 H new ATOM 0 HE3 TRP A 39 24.362 -9.952 7.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.278 -5.737 9.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 25.979 -10.005 9.101 1.00 0.00 H new ATOM 0 HH2 TRP A 39 26.921 -7.923 10.018 1.00 0.00 H new ATOM 668 N THR A 43 22.486 -13.528 3.510 1.00 0.00 N ATOM 669 CA THR A 43 21.329 -13.222 2.677 1.00 0.00 C ATOM 670 C THR A 43 20.915 -11.763 2.826 1.00 0.00 C ATOM 671 O THR A 43 20.766 -11.260 3.940 1.00 0.00 O ATOM 672 CB THR A 43 20.130 -14.123 3.029 1.00 0.00 C ATOM 673 OG1 THR A 43 20.593 -15.372 3.555 1.00 0.00 O ATOM 674 CG2 THR A 43 19.263 -14.372 1.805 1.00 0.00 C ATOM 0 HA THR A 43 21.624 -13.409 1.645 1.00 0.00 H new ATOM 0 HB THR A 43 19.529 -13.613 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 43 21.456 -15.240 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.423 -15.011 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 43 18.888 -13.422 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 43 19.856 -14.863 1.033 1.00 0.00 H new ATOM 682 N VAL A 44 20.729 -11.087 1.696 1.00 0.00 N ATOM 683 CA VAL A 44 20.329 -9.685 1.701 1.00 0.00 C ATOM 684 C VAL A 44 18.895 -9.520 1.211 1.00 0.00 C ATOM 685 O VAL A 44 18.509 -10.082 0.185 1.00 0.00 O ATOM 686 CB VAL A 44 21.263 -8.833 0.821 1.00 0.00 C ATOM 687 CG1 VAL A 44 21.404 -9.450 -0.562 1.00 0.00 C ATOM 688 CG2 VAL A 44 20.747 -7.404 0.726 1.00 0.00 C ATOM 0 H VAL A 44 20.849 -11.488 0.766 1.00 0.00 H new ATOM 0 HA VAL A 44 20.398 -9.339 2.732 1.00 0.00 H new ATOM 0 HB VAL A 44 22.249 -8.810 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.067 -8.834 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.821 -10.453 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 44 20.425 -9.506 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 44 21.418 -6.816 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 44 19.750 -7.406 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 44 20.703 -6.966 1.723 1.00 0.00 H new ATOM 698 N THR A 45 18.108 -8.745 1.950 1.00 0.00 N ATOM 699 CA THR A 45 16.716 -8.506 1.591 1.00 0.00 C ATOM 700 C THR A 45 16.397 -7.015 1.586 1.00 0.00 C ATOM 701 O THR A 45 16.649 -6.313 2.565 1.00 0.00 O ATOM 702 CB THR A 45 15.756 -9.221 2.560 1.00 0.00 C ATOM 703 OG1 THR A 45 16.191 -10.568 2.777 1.00 0.00 O ATOM 704 CG2 THR A 45 14.336 -9.224 2.012 1.00 0.00 C ATOM 0 H THR A 45 18.411 -8.272 2.801 1.00 0.00 H new ATOM 0 HA THR A 45 16.575 -8.908 0.588 1.00 0.00 H new ATOM 0 HB THR A 45 15.763 -8.681 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.576 -11.015 3.396 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.676 -9.734 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.996 -8.197 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.317 -9.743 1.053 1.00 0.00 H new ATOM 712 N VAL A 46 15.841 -6.538 0.477 1.00 0.00 N ATOM 713 CA VAL A 46 15.486 -5.130 0.345 1.00 0.00 C ATOM 714 C VAL A 46 14.048 -4.882 0.786 1.00 0.00 C ATOM 715 O VAL A 46 13.153 -5.673 0.490 1.00 0.00 O ATOM 716 CB VAL A 46 15.658 -4.641 -1.105 1.00 0.00 C ATOM 717 CG1 VAL A 46 14.598 -5.258 -2.006 1.00 0.00 C ATOM 718 CG2 VAL A 46 15.602 -3.122 -1.166 1.00 0.00 C ATOM 0 H VAL A 46 15.627 -7.106 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 46 16.163 -4.571 0.992 1.00 0.00 H new ATOM 0 HB VAL A 46 16.637 -4.960 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.735 -4.901 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.691 -6.344 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.608 -4.972 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.725 -2.795 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 46 14.639 -2.778 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.402 -2.704 -0.555 1.00 0.00 H new ATOM 728 N GLU A 47 13.834 -3.778 1.495 1.00 0.00 N ATOM 729 CA GLU A 47 12.504 -3.426 1.978 1.00 0.00 C ATOM 730 C GLU A 47 12.107 -2.029 1.510 1.00 0.00 C ATOM 731 O GLU A 47 12.742 -1.039 1.871 1.00 0.00 O ATOM 732 CB GLU A 47 12.455 -3.498 3.505 1.00 0.00 C ATOM 733 CG GLU A 47 12.393 -4.916 4.046 1.00 0.00 C ATOM 734 CD GLU A 47 12.318 -4.961 5.560 1.00 0.00 C ATOM 735 OE1 GLU A 47 12.744 -3.980 6.205 1.00 0.00 O ATOM 736 OE2 GLU A 47 11.832 -5.977 6.100 1.00 0.00 O ATOM 0 H GLU A 47 14.564 -3.112 1.748 1.00 0.00 H new ATOM 0 HA GLU A 47 11.795 -4.144 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.336 -3.001 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.585 -2.945 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.523 -5.423 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.273 -5.466 3.713 1.00 0.00 H new ATOM 743 N GLY A 48 11.052 -1.958 0.704 1.00 0.00 N ATOM 744 CA GLY A 48 10.589 -0.678 0.199 1.00 0.00 C ATOM 745 C GLY A 48 9.104 -0.470 0.422 1.00 0.00 C ATOM 746 O GLY A 48 8.346 -1.434 0.529 1.00 0.00 O ATOM 0 H GLY A 48 10.510 -2.763 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.143 0.124 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.806 -0.611 -0.867 1.00 0.00 H new ATOM 750 N GLN A 49 8.689 0.790 0.493 1.00 0.00 N ATOM 751 CA GLN A 49 7.285 1.121 0.707 1.00 0.00 C ATOM 752 C GLN A 49 6.774 2.056 -0.383 1.00 0.00 C ATOM 753 O GLN A 49 7.558 2.694 -1.087 1.00 0.00 O ATOM 754 CB GLN A 49 7.095 1.767 2.081 1.00 0.00 C ATOM 755 CG GLN A 49 7.585 3.205 2.149 1.00 0.00 C ATOM 756 CD GLN A 49 8.556 3.437 3.290 1.00 0.00 C ATOM 757 OE1 GLN A 49 9.618 4.188 3.021 1.00 0.00 O flip ATOM 758 NE2 GLN A 49 8.354 2.947 4.401 1.00 0.00 N flip ATOM 0 H GLN A 49 9.305 1.599 0.406 1.00 0.00 H new ATOM 0 HA GLN A 49 6.709 0.196 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.037 1.739 2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.624 1.176 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.068 3.465 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.730 3.871 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.525 2.376 4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.016 3.112 5.159 1.00 0.00 H new ATOM 767 N LEU A 50 5.454 2.132 -0.519 1.00 0.00 N ATOM 768 CA LEU A 50 4.837 2.989 -1.525 1.00 0.00 C ATOM 769 C LEU A 50 3.840 3.950 -0.885 1.00 0.00 C ATOM 770 O LEU A 50 3.087 3.570 0.012 1.00 0.00 O ATOM 771 CB LEU A 50 4.136 2.140 -2.587 1.00 0.00 C ATOM 772 CG LEU A 50 4.332 2.582 -4.037 1.00 0.00 C ATOM 773 CD1 LEU A 50 3.403 1.809 -4.961 1.00 0.00 C ATOM 774 CD2 LEU A 50 4.099 4.079 -4.175 1.00 0.00 C ATOM 0 H LEU A 50 4.791 1.611 0.055 1.00 0.00 H new ATOM 0 HA LEU A 50 5.624 3.575 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.486 1.112 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.068 2.134 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 50 5.361 2.367 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.557 2.137 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.618 0.743 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.368 1.992 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.243 4.375 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.081 4.319 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.806 4.617 -3.543 1.00 0.00 H new ATOM 910 N ARG B 3 24.660 -19.268 -9.905 1.00 0.00 N ATOM 911 CA ARG B 3 23.210 -19.333 -9.774 1.00 0.00 C ATOM 912 C ARG B 3 22.678 -18.127 -9.006 1.00 0.00 C ATOM 913 O ARG B 3 23.233 -17.738 -7.978 1.00 0.00 O ATOM 914 CB ARG B 3 22.798 -20.625 -9.064 1.00 0.00 C ATOM 915 CG ARG B 3 21.327 -20.669 -8.684 1.00 0.00 C ATOM 916 CD ARG B 3 21.115 -20.268 -7.233 1.00 0.00 C ATOM 917 NE ARG B 3 20.744 -21.408 -6.399 1.00 0.00 N ATOM 918 CZ ARG B 3 19.553 -21.996 -6.446 1.00 0.00 C ATOM 919 NH1 ARG B 3 18.624 -21.554 -7.282 1.00 0.00 N ATOM 920 NH2 ARG B 3 19.290 -23.029 -5.655 1.00 0.00 N ATOM 0 HA ARG B 3 22.780 -19.323 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG B 3 23.023 -21.473 -9.711 1.00 0.00 H new ATOM 0 HB3 ARG B 3 23.401 -20.743 -8.164 1.00 0.00 H new ATOM 0 HG2 ARG B 3 20.762 -20.001 -9.334 1.00 0.00 H new ATOM 0 HG3 ARG B 3 20.938 -21.674 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG B 3 22.028 -19.816 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG B 3 20.335 -19.509 -7.177 1.00 0.00 H new ATOM 0 HE ARG B 3 21.437 -21.773 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG B 3 18.822 -20.761 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG B 3 17.711 -22.007 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG B 3 20.002 -23.372 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG B 3 18.376 -23.480 -5.692 1.00 0.00 H new ATOM 934 N VAL B 4 21.599 -17.538 -9.512 1.00 0.00 N ATOM 935 CA VAL B 4 20.992 -16.376 -8.874 1.00 0.00 C ATOM 936 C VAL B 4 19.483 -16.548 -8.741 1.00 0.00 C ATOM 937 O VAL B 4 18.788 -16.807 -9.724 1.00 0.00 O ATOM 938 CB VAL B 4 21.283 -15.086 -9.664 1.00 0.00 C ATOM 939 CG1 VAL B 4 20.644 -13.886 -8.981 1.00 0.00 C ATOM 940 CG2 VAL B 4 22.782 -14.885 -9.821 1.00 0.00 C ATOM 0 H VAL B 4 21.127 -17.847 -10.362 1.00 0.00 H new ATOM 0 HA VAL B 4 21.434 -16.293 -7.881 1.00 0.00 H new ATOM 0 HB VAL B 4 20.847 -15.183 -10.658 1.00 0.00 H new ATOM 0 HG11 VAL B 4 20.860 -12.984 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL B 4 19.565 -14.031 -8.926 1.00 0.00 H new ATOM 0 HG13 VAL B 4 21.048 -13.783 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL B 4 22.970 -13.969 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL B 4 23.244 -14.809 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL B 4 23.209 -15.732 -10.358 1.00 0.00 H new ATOM 950 N ARG B 5 18.982 -16.403 -7.518 1.00 0.00 N ATOM 951 CA ARG B 5 17.555 -16.543 -7.256 1.00 0.00 C ATOM 952 C ARG B 5 17.032 -15.358 -6.449 1.00 0.00 C ATOM 953 O ARG B 5 17.560 -15.038 -5.384 1.00 0.00 O ATOM 954 CB ARG B 5 17.279 -17.847 -6.505 1.00 0.00 C ATOM 955 CG ARG B 5 15.838 -17.989 -6.042 1.00 0.00 C ATOM 956 CD ARG B 5 15.749 -18.107 -4.528 1.00 0.00 C ATOM 957 NE ARG B 5 15.874 -19.490 -4.079 1.00 0.00 N ATOM 958 CZ ARG B 5 15.621 -19.885 -2.836 1.00 0.00 C ATOM 959 NH1 ARG B 5 15.230 -19.006 -1.924 1.00 0.00 N ATOM 960 NH2 ARG B 5 15.758 -21.162 -2.503 1.00 0.00 N ATOM 0 H ARG B 5 19.543 -16.189 -6.694 1.00 0.00 H new ATOM 0 HA ARG B 5 17.035 -16.566 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG B 5 17.529 -18.689 -7.151 1.00 0.00 H new ATOM 0 HB3 ARG B 5 17.938 -17.904 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.261 -17.127 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG B 5 15.391 -18.870 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG B 5 16.534 -17.505 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG B 5 14.797 -17.700 -4.188 1.00 0.00 H new ATOM 0 HE ARG B 5 16.172 -20.192 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG B 5 15.123 -18.023 -2.176 1.00 0.00 H new ATOM 0 HH12 ARG B 5 15.036 -19.312 -0.971 1.00 0.00 H new ATOM 0 HH21 ARG B 5 16.058 -21.842 -3.202 1.00 0.00 H new ATOM 0 HH22 ARG B 5 15.563 -21.464 -1.548 1.00 0.00 H new ATOM 974 N ILE B 6 15.991 -14.711 -6.965 1.00 0.00 N ATOM 975 CA ILE B 6 15.397 -13.563 -6.292 1.00 0.00 C ATOM 976 C ILE B 6 13.902 -13.768 -6.073 1.00 0.00 C ATOM 977 O ILE B 6 13.158 -14.045 -7.014 1.00 0.00 O ATOM 978 CB ILE B 6 15.614 -12.266 -7.094 1.00 0.00 C ATOM 979 CG1 ILE B 6 17.104 -12.054 -7.369 1.00 0.00 C ATOM 980 CG2 ILE B 6 15.033 -11.076 -6.345 1.00 0.00 C ATOM 981 CD1 ILE B 6 17.396 -10.830 -8.208 1.00 0.00 C ATOM 0 H ILE B 6 15.543 -14.963 -7.846 1.00 0.00 H new ATOM 0 HA ILE B 6 15.894 -13.471 -5.326 1.00 0.00 H new ATOM 0 HB ILE B 6 15.097 -12.356 -8.049 1.00 0.00 H new ATOM 0 HG12 ILE B 6 17.632 -11.968 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE B 6 17.501 -12.934 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE B 6 15.194 -10.167 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE B 6 13.964 -11.226 -6.196 1.00 0.00 H new ATOM 0 HG23 ILE B 6 15.524 -10.981 -5.377 1.00 0.00 H new ATOM 0 HD11 ILE B 6 18.471 -10.743 -8.363 1.00 0.00 H new ATOM 0 HD12 ILE B 6 16.897 -10.923 -9.173 1.00 0.00 H new ATOM 0 HD13 ILE B 6 17.030 -9.941 -7.694 1.00 0.00 H new ATOM 993 N SER B 7 13.468 -13.627 -4.825 1.00 0.00 N ATOM 994 CA SER B 7 12.061 -13.798 -4.481 1.00 0.00 C ATOM 995 C SER B 7 11.454 -12.482 -4.003 1.00 0.00 C ATOM 996 O SER B 7 12.056 -11.762 -3.206 1.00 0.00 O ATOM 997 CB SER B 7 11.905 -14.868 -3.398 1.00 0.00 C ATOM 998 OG SER B 7 13.127 -15.550 -3.175 1.00 0.00 O ATOM 0 H SER B 7 14.070 -13.395 -4.035 1.00 0.00 H new ATOM 0 HA SER B 7 11.530 -14.118 -5.377 1.00 0.00 H new ATOM 0 HB2 SER B 7 11.569 -14.405 -2.470 1.00 0.00 H new ATOM 0 HB3 SER B 7 11.136 -15.581 -3.695 1.00 0.00 H new ATOM 0 HG SER B 7 13.001 -16.227 -2.478 1.00 0.00 H new ATOM 1004 N ILE B 8 10.259 -12.176 -4.496 1.00 0.00 N ATOM 1005 CA ILE B 8 9.570 -10.948 -4.119 1.00 0.00 C ATOM 1006 C ILE B 8 8.346 -11.246 -3.259 1.00 0.00 C ATOM 1007 O ILE B 8 7.567 -12.151 -3.560 1.00 0.00 O ATOM 1008 CB ILE B 8 9.130 -10.146 -5.358 1.00 0.00 C ATOM 1009 CG1 ILE B 8 10.334 -9.852 -6.256 1.00 0.00 C ATOM 1010 CG2 ILE B 8 8.447 -8.853 -4.937 1.00 0.00 C ATOM 1011 CD1 ILE B 8 9.964 -9.608 -7.702 1.00 0.00 C ATOM 0 H ILE B 8 9.748 -12.761 -5.157 1.00 0.00 H new ATOM 0 HA ILE B 8 10.279 -10.352 -3.544 1.00 0.00 H new ATOM 0 HB ILE B 8 8.415 -10.743 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE B 8 10.859 -8.978 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE B 8 11.029 -10.690 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE B 8 8.142 -8.297 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE B 8 7.569 -9.085 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE B 8 9.140 -8.249 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE B 8 10.866 -9.406 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE B 8 9.466 -10.490 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE B 8 9.293 -8.751 -7.766 1.00 0.00 H new ATOM 1023 N THR B 9 8.181 -10.477 -2.187 1.00 0.00 N ATOM 1024 CA THR B 9 7.052 -10.658 -1.284 1.00 0.00 C ATOM 1025 C THR B 9 5.969 -9.616 -1.542 1.00 0.00 C ATOM 1026 O THR B 9 5.768 -8.704 -0.740 1.00 0.00 O ATOM 1027 CB THR B 9 7.491 -10.571 0.190 1.00 0.00 C ATOM 1028 OG1 THR B 9 8.817 -11.093 0.337 1.00 0.00 O ATOM 1029 CG2 THR B 9 6.534 -11.341 1.086 1.00 0.00 C ATOM 0 H THR B 9 8.815 -9.723 -1.923 1.00 0.00 H new ATOM 0 HA THR B 9 6.650 -11.652 -1.477 1.00 0.00 H new ATOM 0 HB THR B 9 7.478 -9.523 0.489 1.00 0.00 H new ATOM 0 HG1 THR B 9 9.464 -10.446 -0.014 1.00 0.00 H new ATOM 0 HG21 THR B 9 6.865 -11.265 2.122 1.00 0.00 H new ATOM 0 HG22 THR B 9 5.532 -10.922 0.993 1.00 0.00 H new ATOM 0 HG23 THR B 9 6.518 -12.389 0.786 1.00 0.00 H new ATOM 1037 N ALA B 10 5.274 -9.757 -2.666 1.00 0.00 N ATOM 1038 CA ALA B 10 4.210 -8.829 -3.027 1.00 0.00 C ATOM 1039 C ALA B 10 2.838 -9.421 -2.722 1.00 0.00 C ATOM 1040 O ALA B 10 2.686 -10.638 -2.617 1.00 0.00 O ATOM 1041 CB ALA B 10 4.311 -8.457 -4.499 1.00 0.00 C ATOM 0 H ALA B 10 5.429 -10.505 -3.342 1.00 0.00 H new ATOM 0 HA ALA B 10 4.329 -7.927 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA B 10 3.510 -7.763 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA B 10 5.275 -7.985 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA B 10 4.221 -9.356 -5.109 1.00 0.00 H new ATOM 1047 N ARG B 11 1.842 -8.552 -2.581 1.00 0.00 N ATOM 1048 CA ARG B 11 0.483 -8.989 -2.286 1.00 0.00 C ATOM 1049 C ARG B 11 -0.222 -9.467 -3.553 1.00 0.00 C ATOM 1050 O ARG B 11 -0.504 -10.655 -3.710 1.00 0.00 O ATOM 1051 CB ARG B 11 -0.313 -7.852 -1.644 1.00 0.00 C ATOM 1052 CG ARG B 11 0.475 -7.065 -0.610 1.00 0.00 C ATOM 1053 CD ARG B 11 0.834 -5.678 -1.121 1.00 0.00 C ATOM 1054 NE ARG B 11 0.774 -4.673 -0.063 1.00 0.00 N ATOM 1055 CZ ARG B 11 -0.356 -4.279 0.513 1.00 0.00 C ATOM 1056 NH1 ARG B 11 -1.514 -4.803 0.136 1.00 0.00 N ATOM 1057 NH2 ARG B 11 -0.329 -3.359 1.469 1.00 0.00 N ATOM 0 H ARG B 11 1.951 -7.541 -2.666 1.00 0.00 H new ATOM 0 HA ARG B 11 0.540 -9.823 -1.586 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -0.652 -7.171 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -1.204 -8.265 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -0.110 -6.977 0.305 1.00 0.00 H new ATOM 0 HG3 ARG B 11 1.386 -7.607 -0.355 1.00 0.00 H new ATOM 0 HD2 ARG B 11 1.837 -5.697 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG B 11 0.152 -5.400 -1.924 1.00 0.00 H new ATOM 0 HE ARG B 11 1.648 -4.251 0.251 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -1.539 -5.511 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -2.380 -4.499 0.580 1.00 0.00 H new ATOM 0 HH21 ARG B 11 0.560 -2.954 1.762 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -1.197 -3.057 1.911 1.00 0.00 H new ATOM 1071 N THR B 12 -0.504 -8.531 -4.455 1.00 0.00 N ATOM 1072 CA THR B 12 -1.177 -8.855 -5.706 1.00 0.00 C ATOM 1073 C THR B 12 -0.180 -9.319 -6.762 1.00 0.00 C ATOM 1074 O THR B 12 1.000 -8.970 -6.713 1.00 0.00 O ATOM 1075 CB THR B 12 -1.960 -7.646 -6.252 1.00 0.00 C ATOM 1076 OG1 THR B 12 -2.508 -7.957 -7.538 1.00 0.00 O ATOM 1077 CG2 THR B 12 -1.062 -6.423 -6.360 1.00 0.00 C ATOM 0 H THR B 12 -0.276 -7.543 -4.342 1.00 0.00 H new ATOM 0 HA THR B 12 -1.876 -9.663 -5.489 1.00 0.00 H new ATOM 0 HB THR B 12 -2.769 -7.422 -5.557 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.006 -7.184 -7.877 1.00 0.00 H new ATOM 0 HG21 THR B 12 -1.637 -5.582 -6.748 1.00 0.00 H new ATOM 0 HG22 THR B 12 -0.670 -6.171 -5.374 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.234 -6.638 -7.035 1.00 0.00 H new ATOM 1085 N LYS B 13 -0.662 -10.107 -7.718 1.00 0.00 N ATOM 1086 CA LYS B 13 0.186 -10.617 -8.788 1.00 0.00 C ATOM 1087 C LYS B 13 0.763 -9.475 -9.618 1.00 0.00 C ATOM 1088 O LYS B 13 1.915 -9.528 -10.050 1.00 0.00 O ATOM 1089 CB LYS B 13 -0.610 -11.564 -9.690 1.00 0.00 C ATOM 1090 CG LYS B 13 -1.879 -10.947 -10.250 1.00 0.00 C ATOM 1091 CD LYS B 13 -2.902 -12.009 -10.615 1.00 0.00 C ATOM 1092 CE LYS B 13 -2.863 -12.333 -12.101 1.00 0.00 C ATOM 1093 NZ LYS B 13 -2.788 -13.800 -12.347 1.00 0.00 N ATOM 0 H LYS B 13 -1.636 -10.406 -7.773 1.00 0.00 H new ATOM 0 HA LYS B 13 1.011 -11.165 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.024 -11.883 -10.517 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.870 -12.458 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -2.308 -10.265 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -1.638 -10.355 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.710 -12.914 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.899 -11.664 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.752 -11.929 -12.584 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -2.002 -11.844 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -2.763 -13.979 -13.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -1.926 -14.182 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.622 -14.264 -11.934 1.00 0.00 H new ATOM 1107 N LYS B 14 -0.043 -8.441 -9.835 1.00 0.00 N ATOM 1108 CA LYS B 14 0.388 -7.283 -10.609 1.00 0.00 C ATOM 1109 C LYS B 14 1.627 -6.645 -9.990 1.00 0.00 C ATOM 1110 O LYS B 14 2.512 -6.171 -10.701 1.00 0.00 O ATOM 1111 CB LYS B 14 -0.741 -6.254 -10.696 1.00 0.00 C ATOM 1112 CG LYS B 14 -1.264 -6.042 -12.106 1.00 0.00 C ATOM 1113 CD LYS B 14 -2.421 -6.976 -12.418 1.00 0.00 C ATOM 1114 CE LYS B 14 -2.003 -8.081 -13.376 1.00 0.00 C ATOM 1115 NZ LYS B 14 -1.656 -7.546 -14.721 1.00 0.00 N ATOM 0 H LYS B 14 -0.999 -8.381 -9.485 1.00 0.00 H new ATOM 0 HA LYS B 14 0.640 -7.622 -11.614 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.564 -6.575 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -0.385 -5.302 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -1.588 -5.008 -12.223 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -0.459 -6.207 -12.822 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -2.794 -7.417 -11.493 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -3.242 -6.407 -12.854 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.145 -8.613 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -2.812 -8.805 -13.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.757 -8.299 -15.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -2.295 -6.760 -14.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -0.674 -7.204 -14.716 1.00 0.00 H new ATOM 1129 N GLU B 15 1.682 -6.637 -8.662 1.00 0.00 N ATOM 1130 CA GLU B 15 2.814 -6.057 -7.948 1.00 0.00 C ATOM 1131 C GLU B 15 4.102 -6.812 -8.265 1.00 0.00 C ATOM 1132 O GLU B 15 5.106 -6.213 -8.648 1.00 0.00 O ATOM 1133 CB GLU B 15 2.557 -6.074 -6.440 1.00 0.00 C ATOM 1134 CG GLU B 15 1.774 -4.871 -5.942 1.00 0.00 C ATOM 1135 CD GLU B 15 2.644 -3.643 -5.758 1.00 0.00 C ATOM 1136 OE1 GLU B 15 3.568 -3.692 -4.919 1.00 0.00 O ATOM 1137 OE2 GLU B 15 2.402 -2.634 -6.452 1.00 0.00 O ATOM 0 H GLU B 15 0.957 -7.025 -8.059 1.00 0.00 H new ATOM 0 HA GLU B 15 2.928 -5.024 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.013 -6.983 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU B 15 3.513 -6.116 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU B 15 0.976 -4.644 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU B 15 1.298 -5.120 -4.994 1.00 0.00 H new ATOM 1144 N ALA B 16 4.063 -8.130 -8.101 1.00 0.00 N ATOM 1145 CA ALA B 16 5.225 -8.968 -8.370 1.00 0.00 C ATOM 1146 C ALA B 16 5.567 -8.971 -9.856 1.00 0.00 C ATOM 1147 O ALA B 16 6.737 -8.928 -10.233 1.00 0.00 O ATOM 1148 CB ALA B 16 4.978 -10.387 -7.880 1.00 0.00 C ATOM 0 H ALA B 16 3.239 -8.641 -7.783 1.00 0.00 H new ATOM 0 HA ALA B 16 6.075 -8.552 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA B 16 5.854 -11.001 -8.088 1.00 0.00 H new ATOM 0 HB2 ALA B 16 4.790 -10.374 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA B 16 4.112 -10.804 -8.395 1.00 0.00 H new ATOM 1154 N GLU B 17 4.537 -9.024 -10.695 1.00 0.00 N ATOM 1155 CA GLU B 17 4.730 -9.035 -12.141 1.00 0.00 C ATOM 1156 C GLU B 17 5.501 -7.800 -12.596 1.00 0.00 C ATOM 1157 O GLU B 17 6.365 -7.879 -13.470 1.00 0.00 O ATOM 1158 CB GLU B 17 3.380 -9.100 -12.857 1.00 0.00 C ATOM 1159 CG GLU B 17 2.979 -10.505 -13.274 1.00 0.00 C ATOM 1160 CD GLU B 17 3.074 -10.718 -14.773 1.00 0.00 C ATOM 1161 OE1 GLU B 17 4.182 -11.023 -15.261 1.00 0.00 O ATOM 1162 OE2 GLU B 17 2.038 -10.581 -15.458 1.00 0.00 O ATOM 0 H GLU B 17 3.562 -9.060 -10.399 1.00 0.00 H new ATOM 0 HA GLU B 17 5.312 -9.920 -12.398 1.00 0.00 H new ATOM 0 HB2 GLU B 17 2.611 -8.691 -12.202 1.00 0.00 H new ATOM 0 HB3 GLU B 17 3.416 -8.464 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU B 17 3.619 -11.227 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.958 -10.699 -12.947 1.00 0.00 H new ATOM 1169 N LYS B 18 5.182 -6.657 -11.998 1.00 0.00 N ATOM 1170 CA LYS B 18 5.843 -5.403 -12.340 1.00 0.00 C ATOM 1171 C LYS B 18 7.343 -5.489 -12.073 1.00 0.00 C ATOM 1172 O LYS B 18 8.152 -4.996 -12.859 1.00 0.00 O ATOM 1173 CB LYS B 18 5.237 -4.248 -11.539 1.00 0.00 C ATOM 1174 CG LYS B 18 3.817 -3.901 -11.952 1.00 0.00 C ATOM 1175 CD LYS B 18 3.787 -2.715 -12.902 1.00 0.00 C ATOM 1176 CE LYS B 18 2.400 -2.510 -13.493 1.00 0.00 C ATOM 1177 NZ LYS B 18 2.325 -1.270 -14.314 1.00 0.00 N ATOM 0 H LYS B 18 4.469 -6.573 -11.273 1.00 0.00 H new ATOM 0 HA LYS B 18 5.691 -5.219 -13.403 1.00 0.00 H new ATOM 0 HB2 LYS B 18 5.246 -4.507 -10.480 1.00 0.00 H new ATOM 0 HB3 LYS B 18 5.866 -3.366 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS B 18 3.355 -4.764 -12.431 1.00 0.00 H new ATOM 0 HG3 LYS B 18 3.225 -3.674 -11.066 1.00 0.00 H new ATOM 0 HD2 LYS B 18 4.094 -1.814 -12.371 1.00 0.00 H new ATOM 0 HD3 LYS B 18 4.507 -2.873 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS B 18 2.137 -3.370 -14.109 1.00 0.00 H new ATOM 0 HE3 LYS B 18 1.666 -2.458 -12.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 1.364 -1.166 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 2.551 -0.446 -13.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 3.007 -1.330 -15.097 1.00 0.00 H new ATOM 1191 N PHE B 19 7.706 -6.117 -10.960 1.00 0.00 N ATOM 1192 CA PHE B 19 9.109 -6.268 -10.590 1.00 0.00 C ATOM 1193 C PHE B 19 9.794 -7.310 -11.468 1.00 0.00 C ATOM 1194 O PHE B 19 10.930 -7.122 -11.902 1.00 0.00 O ATOM 1195 CB PHE B 19 9.230 -6.666 -9.117 1.00 0.00 C ATOM 1196 CG PHE B 19 8.923 -5.544 -8.166 1.00 0.00 C ATOM 1197 CD1 PHE B 19 9.792 -4.473 -8.034 1.00 0.00 C ATOM 1198 CD2 PHE B 19 7.767 -5.562 -7.403 1.00 0.00 C ATOM 1199 CE1 PHE B 19 9.513 -3.440 -7.160 1.00 0.00 C ATOM 1200 CE2 PHE B 19 7.482 -4.531 -6.528 1.00 0.00 C ATOM 1201 CZ PHE B 19 8.357 -3.469 -6.405 1.00 0.00 C ATOM 0 H PHE B 19 7.049 -6.530 -10.298 1.00 0.00 H new ATOM 0 HA PHE B 19 9.604 -5.309 -10.742 1.00 0.00 H new ATOM 0 HB2 PHE B 19 8.554 -7.497 -8.917 1.00 0.00 H new ATOM 0 HB3 PHE B 19 10.241 -7.026 -8.928 1.00 0.00 H new ATOM 0 HD1 PHE B 19 10.698 -4.445 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE B 19 7.081 -6.391 -7.493 1.00 0.00 H new ATOM 0 HE1 PHE B 19 10.198 -2.610 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE B 19 6.576 -4.555 -5.941 1.00 0.00 H new ATOM 0 HZ PHE B 19 8.138 -2.663 -5.720 1.00 0.00 H new ATOM 1211 N ALA B 20 9.095 -8.411 -11.725 1.00 0.00 N ATOM 1212 CA ALA B 20 9.634 -9.483 -12.552 1.00 0.00 C ATOM 1213 C ALA B 20 10.059 -8.960 -13.920 1.00 0.00 C ATOM 1214 O ALA B 20 11.130 -9.302 -14.421 1.00 0.00 O ATOM 1215 CB ALA B 20 8.610 -10.598 -12.706 1.00 0.00 C ATOM 0 H ALA B 20 8.154 -8.584 -11.372 1.00 0.00 H new ATOM 0 HA ALA B 20 10.517 -9.883 -12.054 1.00 0.00 H new ATOM 0 HB1 ALA B 20 9.027 -11.392 -13.326 1.00 0.00 H new ATOM 0 HB2 ALA B 20 8.358 -10.999 -11.724 1.00 0.00 H new ATOM 0 HB3 ALA B 20 7.710 -10.203 -13.178 1.00 0.00 H new ATOM 1221 N ALA B 21 9.212 -8.130 -14.520 1.00 0.00 N ATOM 1222 CA ALA B 21 9.501 -7.560 -15.830 1.00 0.00 C ATOM 1223 C ALA B 21 10.885 -6.920 -15.858 1.00 0.00 C ATOM 1224 O ALA B 21 11.670 -7.158 -16.776 1.00 0.00 O ATOM 1225 CB ALA B 21 8.438 -6.538 -16.207 1.00 0.00 C ATOM 0 H ALA B 21 8.321 -7.838 -14.120 1.00 0.00 H new ATOM 0 HA ALA B 21 9.489 -8.369 -16.561 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.666 -6.120 -17.188 1.00 0.00 H new ATOM 0 HB2 ALA B 21 7.462 -7.022 -16.237 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.423 -5.738 -15.466 1.00 0.00 H new ATOM 1231 N ILE B 22 11.176 -6.108 -14.847 1.00 0.00 N ATOM 1232 CA ILE B 22 12.466 -5.435 -14.756 1.00 0.00 C ATOM 1233 C ILE B 22 13.589 -6.432 -14.491 1.00 0.00 C ATOM 1234 O ILE B 22 14.631 -6.399 -15.146 1.00 0.00 O ATOM 1235 CB ILE B 22 12.468 -4.370 -13.644 1.00 0.00 C ATOM 1236 CG1 ILE B 22 11.352 -3.351 -13.882 1.00 0.00 C ATOM 1237 CG2 ILE B 22 13.820 -3.676 -13.578 1.00 0.00 C ATOM 1238 CD1 ILE B 22 10.605 -2.967 -12.624 1.00 0.00 C ATOM 0 H ILE B 22 10.536 -5.900 -14.080 1.00 0.00 H new ATOM 0 HA ILE B 22 12.635 -4.947 -15.716 1.00 0.00 H new ATOM 0 HB ILE B 22 12.287 -4.863 -12.689 1.00 0.00 H new ATOM 0 HG12 ILE B 22 11.780 -2.454 -14.329 1.00 0.00 H new ATOM 0 HG13 ILE B 22 10.645 -3.760 -14.604 1.00 0.00 H new ATOM 0 HG21 ILE B 22 13.806 -2.926 -12.787 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.596 -4.411 -13.367 1.00 0.00 H new ATOM 0 HG23 ILE B 22 14.028 -3.193 -14.533 1.00 0.00 H new ATOM 0 HD11 ILE B 22 9.829 -2.242 -12.869 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.147 -3.855 -12.187 1.00 0.00 H new ATOM 0 HD13 ILE B 22 11.300 -2.527 -11.908 1.00 0.00 H new ATOM 1250 N LEU B 23 13.368 -7.321 -13.528 1.00 0.00 N ATOM 1251 CA LEU B 23 14.361 -8.330 -13.177 1.00 0.00 C ATOM 1252 C LEU B 23 14.824 -9.092 -14.415 1.00 0.00 C ATOM 1253 O LEU B 23 16.004 -9.417 -14.550 1.00 0.00 O ATOM 1254 CB LEU B 23 13.784 -9.306 -12.150 1.00 0.00 C ATOM 1255 CG LEU B 23 14.305 -9.161 -10.720 1.00 0.00 C ATOM 1256 CD1 LEU B 23 15.801 -9.427 -10.668 1.00 0.00 C ATOM 1257 CD2 LEU B 23 13.988 -7.777 -10.174 1.00 0.00 C ATOM 0 H LEU B 23 12.511 -7.363 -12.977 1.00 0.00 H new ATOM 0 HA LEU B 23 15.222 -7.822 -12.743 1.00 0.00 H new ATOM 0 HB2 LEU B 23 12.701 -9.187 -12.134 1.00 0.00 H new ATOM 0 HB3 LEU B 23 13.989 -10.322 -12.489 1.00 0.00 H new ATOM 0 HG LEU B 23 13.803 -9.899 -10.094 1.00 0.00 H new ATOM 0 HD11 LEU B 23 16.154 -9.319 -9.642 1.00 0.00 H new ATOM 0 HD12 LEU B 23 16.003 -10.440 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU B 23 16.320 -8.713 -11.307 1.00 0.00 H new ATOM 0 HD21 LEU B 23 14.366 -7.692 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU B 23 14.461 -7.021 -10.801 1.00 0.00 H new ATOM 0 HD23 LEU B 23 12.909 -7.624 -10.174 1.00 0.00 H new ATOM 1269 N ILE B 24 13.889 -9.371 -15.316 1.00 0.00 N ATOM 1270 CA ILE B 24 14.202 -10.091 -16.544 1.00 0.00 C ATOM 1271 C ILE B 24 15.208 -9.320 -17.392 1.00 0.00 C ATOM 1272 O ILE B 24 16.155 -9.895 -17.929 1.00 0.00 O ATOM 1273 CB ILE B 24 12.937 -10.354 -17.381 1.00 0.00 C ATOM 1274 CG1 ILE B 24 11.931 -11.183 -16.579 1.00 0.00 C ATOM 1275 CG2 ILE B 24 13.298 -11.061 -18.679 1.00 0.00 C ATOM 1276 CD1 ILE B 24 10.491 -10.797 -16.832 1.00 0.00 C ATOM 0 H ILE B 24 12.908 -9.109 -15.219 1.00 0.00 H new ATOM 0 HA ILE B 24 14.636 -11.046 -16.248 1.00 0.00 H new ATOM 0 HB ILE B 24 12.477 -9.397 -17.627 1.00 0.00 H new ATOM 0 HG12 ILE B 24 12.064 -12.237 -16.823 1.00 0.00 H new ATOM 0 HG13 ILE B 24 12.147 -11.072 -15.516 1.00 0.00 H new ATOM 0 HG21 ILE B 24 12.393 -11.240 -19.260 1.00 0.00 H new ATOM 0 HG22 ILE B 24 13.981 -10.437 -19.255 1.00 0.00 H new ATOM 0 HG23 ILE B 24 13.778 -12.013 -18.453 1.00 0.00 H new ATOM 0 HD11 ILE B 24 9.835 -11.426 -16.230 1.00 0.00 H new ATOM 0 HD12 ILE B 24 10.341 -9.752 -16.560 1.00 0.00 H new ATOM 0 HD13 ILE B 24 10.258 -10.935 -17.888 1.00 0.00 H new ATOM 1288 N LYS B 25 14.997 -8.013 -17.508 1.00 0.00 N ATOM 1289 CA LYS B 25 15.885 -7.160 -18.288 1.00 0.00 C ATOM 1290 C LYS B 25 17.275 -7.105 -17.662 1.00 0.00 C ATOM 1291 O LYS B 25 18.286 -7.163 -18.362 1.00 0.00 O ATOM 1292 CB LYS B 25 15.306 -5.748 -18.396 1.00 0.00 C ATOM 1293 CG LYS B 25 13.916 -5.705 -19.007 1.00 0.00 C ATOM 1294 CD LYS B 25 13.971 -5.399 -20.494 1.00 0.00 C ATOM 1295 CE LYS B 25 14.693 -6.494 -21.263 1.00 0.00 C ATOM 1296 NZ LYS B 25 14.177 -6.629 -22.653 1.00 0.00 N ATOM 0 H LYS B 25 14.218 -7.521 -17.071 1.00 0.00 H new ATOM 0 HA LYS B 25 15.972 -7.587 -19.287 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.271 -5.302 -17.402 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.977 -5.134 -18.997 1.00 0.00 H new ATOM 0 HG2 LYS B 25 13.418 -6.662 -18.850 1.00 0.00 H new ATOM 0 HG3 LYS B 25 13.318 -4.948 -18.500 1.00 0.00 H new ATOM 0 HD2 LYS B 25 12.958 -5.289 -20.881 1.00 0.00 H new ATOM 0 HD3 LYS B 25 14.478 -4.447 -20.652 1.00 0.00 H new ATOM 0 HE2 LYS B 25 15.760 -6.274 -21.292 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.577 -7.443 -20.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.695 -7.386 -23.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 13.164 -6.864 -22.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.311 -5.732 -23.162 1.00 0.00 H new ATOM 1310 N VAL B 26 17.318 -6.994 -16.338 1.00 0.00 N ATOM 1311 CA VAL B 26 18.584 -6.934 -15.617 1.00 0.00 C ATOM 1312 C VAL B 26 19.361 -8.238 -15.761 1.00 0.00 C ATOM 1313 O VAL B 26 20.582 -8.232 -15.922 1.00 0.00 O ATOM 1314 CB VAL B 26 18.364 -6.643 -14.120 1.00 0.00 C ATOM 1315 CG1 VAL B 26 19.686 -6.322 -13.439 1.00 0.00 C ATOM 1316 CG2 VAL B 26 17.371 -5.505 -13.940 1.00 0.00 C ATOM 0 H VAL B 26 16.491 -6.944 -15.743 1.00 0.00 H new ATOM 0 HA VAL B 26 19.161 -6.120 -16.057 1.00 0.00 H new ATOM 0 HB VAL B 26 17.949 -7.535 -13.651 1.00 0.00 H new ATOM 0 HG11 VAL B 26 19.511 -6.119 -12.382 1.00 0.00 H new ATOM 0 HG12 VAL B 26 20.362 -7.171 -13.538 1.00 0.00 H new ATOM 0 HG13 VAL B 26 20.133 -5.445 -13.908 1.00 0.00 H new ATOM 0 HG21 VAL B 26 17.227 -5.312 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.756 -4.607 -14.423 1.00 0.00 H new ATOM 0 HG23 VAL B 26 16.418 -5.779 -14.391 1.00 0.00 H new ATOM 1326 N PHE B 27 18.645 -9.356 -15.702 1.00 0.00 N ATOM 1327 CA PHE B 27 19.268 -10.670 -15.826 1.00 0.00 C ATOM 1328 C PHE B 27 19.799 -10.889 -17.239 1.00 0.00 C ATOM 1329 O PHE B 27 20.899 -11.409 -17.427 1.00 0.00 O ATOM 1330 CB PHE B 27 18.264 -11.768 -15.470 1.00 0.00 C ATOM 1331 CG PHE B 27 18.203 -12.071 -14.000 1.00 0.00 C ATOM 1332 CD1 PHE B 27 19.335 -12.487 -13.317 1.00 0.00 C ATOM 1333 CD2 PHE B 27 17.014 -11.940 -13.301 1.00 0.00 C ATOM 1334 CE1 PHE B 27 19.282 -12.766 -11.964 1.00 0.00 C ATOM 1335 CE2 PHE B 27 16.955 -12.217 -11.948 1.00 0.00 C ATOM 1336 CZ PHE B 27 18.091 -12.632 -11.279 1.00 0.00 C ATOM 0 H PHE B 27 17.634 -9.379 -15.569 1.00 0.00 H new ATOM 0 HA PHE B 27 20.107 -10.715 -15.131 1.00 0.00 H new ATOM 0 HB2 PHE B 27 17.274 -11.468 -15.812 1.00 0.00 H new ATOM 0 HB3 PHE B 27 18.526 -12.678 -16.010 1.00 0.00 H new ATOM 0 HD1 PHE B 27 20.269 -12.594 -13.848 1.00 0.00 H new ATOM 0 HD2 PHE B 27 16.123 -11.618 -13.819 1.00 0.00 H new ATOM 0 HE1 PHE B 27 20.172 -13.089 -11.443 1.00 0.00 H new ATOM 0 HE2 PHE B 27 16.022 -12.109 -11.414 1.00 0.00 H new ATOM 0 HZ PHE B 27 18.047 -12.851 -10.222 1.00 0.00 H new ATOM 1346 N ALA B 28 19.009 -10.489 -18.230 1.00 0.00 N ATOM 1347 CA ALA B 28 19.399 -10.640 -19.627 1.00 0.00 C ATOM 1348 C ALA B 28 20.654 -9.831 -19.936 1.00 0.00 C ATOM 1349 O ALA B 28 21.579 -10.325 -20.581 1.00 0.00 O ATOM 1350 CB ALA B 28 18.259 -10.220 -20.542 1.00 0.00 C ATOM 0 H ALA B 28 18.095 -10.058 -18.092 1.00 0.00 H new ATOM 0 HA ALA B 28 19.623 -11.692 -19.805 1.00 0.00 H new ATOM 0 HB1 ALA B 28 18.565 -10.338 -21.582 1.00 0.00 H new ATOM 0 HB2 ALA B 28 17.387 -10.844 -20.347 1.00 0.00 H new ATOM 0 HB3 ALA B 28 18.007 -9.176 -20.354 1.00 0.00 H new ATOM 1356 N GLU B 29 20.679 -8.585 -19.473 1.00 0.00 N ATOM 1357 CA GLU B 29 21.821 -7.708 -19.703 1.00 0.00 C ATOM 1358 C GLU B 29 23.040 -8.184 -18.917 1.00 0.00 C ATOM 1359 O GLU B 29 24.173 -7.807 -19.218 1.00 0.00 O ATOM 1360 CB GLU B 29 21.476 -6.271 -19.309 1.00 0.00 C ATOM 1361 CG GLU B 29 21.724 -5.966 -17.841 1.00 0.00 C ATOM 1362 CD GLU B 29 23.035 -5.241 -17.609 1.00 0.00 C ATOM 1363 OE1 GLU B 29 23.380 -4.364 -18.428 1.00 0.00 O ATOM 1364 OE2 GLU B 29 23.716 -5.550 -16.609 1.00 0.00 O ATOM 0 H GLU B 29 19.922 -8.161 -18.937 1.00 0.00 H new ATOM 0 HA GLU B 29 22.061 -7.738 -20.766 1.00 0.00 H new ATOM 0 HB2 GLU B 29 22.064 -5.585 -19.918 1.00 0.00 H new ATOM 0 HB3 GLU B 29 20.427 -6.082 -19.539 1.00 0.00 H new ATOM 0 HG2 GLU B 29 20.904 -5.359 -17.457 1.00 0.00 H new ATOM 0 HG3 GLU B 29 21.723 -6.898 -17.275 1.00 0.00 H new ATOM 1371 N LEU B 30 22.799 -9.015 -17.909 1.00 0.00 N ATOM 1372 CA LEU B 30 23.875 -9.543 -17.078 1.00 0.00 C ATOM 1373 C LEU B 30 24.384 -10.872 -17.627 1.00 0.00 C ATOM 1374 O LEU B 30 25.316 -11.463 -17.084 1.00 0.00 O ATOM 1375 CB LEU B 30 23.393 -9.723 -15.638 1.00 0.00 C ATOM 1376 CG LEU B 30 23.271 -8.446 -14.806 1.00 0.00 C ATOM 1377 CD1 LEU B 30 22.449 -8.702 -13.552 1.00 0.00 C ATOM 1378 CD2 LEU B 30 24.649 -7.913 -14.442 1.00 0.00 C ATOM 0 H LEU B 30 21.867 -9.338 -17.647 1.00 0.00 H new ATOM 0 HA LEU B 30 24.697 -8.827 -17.092 1.00 0.00 H new ATOM 0 HB2 LEU B 30 22.419 -10.212 -15.661 1.00 0.00 H new ATOM 0 HB3 LEU B 30 24.078 -10.400 -15.129 1.00 0.00 H new ATOM 0 HG LEU B 30 22.758 -7.693 -15.405 1.00 0.00 H new ATOM 0 HD11 LEU B 30 22.373 -7.782 -12.973 1.00 0.00 H new ATOM 0 HD12 LEU B 30 21.451 -9.037 -13.833 1.00 0.00 H new ATOM 0 HD13 LEU B 30 22.933 -9.471 -12.950 1.00 0.00 H new ATOM 0 HD21 LEU B 30 24.543 -7.004 -13.850 1.00 0.00 H new ATOM 0 HD22 LEU B 30 25.188 -8.663 -13.862 1.00 0.00 H new ATOM 0 HD23 LEU B 30 25.205 -7.690 -15.353 1.00 0.00 H new ATOM 1390 N GLY B 31 23.766 -11.336 -18.709 1.00 0.00 N ATOM 1391 CA GLY B 31 24.171 -12.591 -19.314 1.00 0.00 C ATOM 1392 C GLY B 31 23.462 -13.784 -18.705 1.00 0.00 C ATOM 1393 O GLY B 31 23.822 -14.931 -18.971 1.00 0.00 O ATOM 0 H GLY B 31 22.992 -10.865 -19.177 1.00 0.00 H new ATOM 0 HA2 GLY B 31 23.966 -12.558 -20.384 1.00 0.00 H new ATOM 0 HA3 GLY B 31 25.248 -12.715 -19.200 1.00 0.00 H new ATOM 1397 N TYR B 32 22.452 -13.514 -17.885 1.00 0.00 N ATOM 1398 CA TYR B 32 21.693 -14.575 -17.233 1.00 0.00 C ATOM 1399 C TYR B 32 20.453 -14.936 -18.046 1.00 0.00 C ATOM 1400 O TYR B 32 19.398 -15.235 -17.489 1.00 0.00 O ATOM 1401 CB TYR B 32 21.285 -14.146 -15.823 1.00 0.00 C ATOM 1402 CG TYR B 32 22.451 -14.016 -14.869 1.00 0.00 C ATOM 1403 CD1 TYR B 32 23.398 -13.012 -15.031 1.00 0.00 C ATOM 1404 CD2 TYR B 32 22.606 -14.897 -13.805 1.00 0.00 C ATOM 1405 CE1 TYR B 32 24.465 -12.890 -14.163 1.00 0.00 C ATOM 1406 CE2 TYR B 32 23.669 -14.781 -12.931 1.00 0.00 C ATOM 1407 CZ TYR B 32 24.596 -13.776 -13.114 1.00 0.00 C ATOM 1408 OH TYR B 32 25.657 -13.658 -12.245 1.00 0.00 O ATOM 0 H TYR B 32 22.140 -12.570 -17.656 1.00 0.00 H new ATOM 0 HA TYR B 32 22.331 -15.456 -17.167 1.00 0.00 H new ATOM 0 HB2 TYR B 32 20.764 -13.190 -15.879 1.00 0.00 H new ATOM 0 HB3 TYR B 32 20.577 -14.871 -15.422 1.00 0.00 H new ATOM 0 HD1 TYR B 32 23.298 -12.315 -15.850 1.00 0.00 H new ATOM 0 HD2 TYR B 32 21.883 -15.686 -13.659 1.00 0.00 H new ATOM 0 HE1 TYR B 32 25.193 -12.105 -14.305 1.00 0.00 H new ATOM 0 HE2 TYR B 32 23.774 -15.473 -12.109 1.00 0.00 H new ATOM 0 HH TYR B 32 25.601 -14.359 -11.563 1.00 0.00 H new ATOM 1418 N ASN B 33 20.591 -14.906 -19.367 1.00 0.00 N ATOM 1419 CA ASN B 33 19.483 -15.230 -20.258 1.00 0.00 C ATOM 1420 C ASN B 33 18.825 -16.546 -19.853 1.00 0.00 C ATOM 1421 O ASN B 33 19.422 -17.358 -19.145 1.00 0.00 O ATOM 1422 CB ASN B 33 19.973 -15.316 -21.705 1.00 0.00 C ATOM 1423 CG ASN B 33 18.831 -15.323 -22.703 1.00 0.00 C ATOM 1424 OD1 ASN B 33 18.392 -16.382 -23.153 1.00 0.00 O ATOM 1425 ND2 ASN B 33 18.344 -14.139 -23.054 1.00 0.00 N ATOM 0 H ASN B 33 21.459 -14.661 -19.844 1.00 0.00 H new ATOM 0 HA ASN B 33 18.742 -14.435 -20.179 1.00 0.00 H new ATOM 0 HB2 ASN B 33 20.629 -14.471 -21.914 1.00 0.00 H new ATOM 0 HB3 ASN B 33 20.568 -16.221 -21.831 1.00 0.00 H new ATOM 0 HD21 ASN B 33 17.575 -14.081 -23.722 1.00 0.00 H new ATOM 0 HD22 ASN B 33 18.739 -13.287 -22.656 1.00 0.00 H new ATOM 1432 N ASP B 34 17.593 -16.750 -20.307 1.00 0.00 N ATOM 1433 CA ASP B 34 16.855 -17.968 -19.994 1.00 0.00 C ATOM 1434 C ASP B 34 16.511 -18.027 -18.508 1.00 0.00 C ATOM 1435 O ASP B 34 17.050 -18.852 -17.769 1.00 0.00 O ATOM 1436 CB ASP B 34 17.669 -19.200 -20.391 1.00 0.00 C ATOM 1437 CG ASP B 34 16.800 -20.424 -20.602 1.00 0.00 C ATOM 1438 OD1 ASP B 34 16.192 -20.897 -19.619 1.00 0.00 O ATOM 1439 OD2 ASP B 34 16.728 -20.910 -21.750 1.00 0.00 O ATOM 0 H ASP B 34 17.085 -16.088 -20.893 1.00 0.00 H new ATOM 0 HA ASP B 34 15.926 -17.958 -20.564 1.00 0.00 H new ATOM 0 HB2 ASP B 34 18.221 -18.988 -21.307 1.00 0.00 H new ATOM 0 HB3 ASP B 34 18.406 -19.410 -19.616 1.00 0.00 H new ATOM 1444 N ILE B 35 15.612 -17.149 -18.079 1.00 0.00 N ATOM 1445 CA ILE B 35 15.197 -17.102 -16.682 1.00 0.00 C ATOM 1446 C ILE B 35 13.911 -17.892 -16.465 1.00 0.00 C ATOM 1447 O ILE B 35 13.065 -17.977 -17.354 1.00 0.00 O ATOM 1448 CB ILE B 35 14.982 -15.653 -16.207 1.00 0.00 C ATOM 1449 CG1 ILE B 35 15.945 -15.320 -15.065 1.00 0.00 C ATOM 1450 CG2 ILE B 35 13.540 -15.447 -15.768 1.00 0.00 C ATOM 1451 CD1 ILE B 35 17.329 -14.930 -15.536 1.00 0.00 C ATOM 0 H ILE B 35 15.157 -16.460 -18.678 1.00 0.00 H new ATOM 0 HA ILE B 35 16.000 -17.551 -16.098 1.00 0.00 H new ATOM 0 HB ILE B 35 15.187 -14.979 -17.039 1.00 0.00 H new ATOM 0 HG12 ILE B 35 15.528 -14.504 -14.475 1.00 0.00 H new ATOM 0 HG13 ILE B 35 16.025 -16.183 -14.404 1.00 0.00 H new ATOM 0 HG21 ILE B 35 13.404 -14.418 -15.435 1.00 0.00 H new ATOM 0 HG22 ILE B 35 12.872 -15.648 -16.606 1.00 0.00 H new ATOM 0 HG23 ILE B 35 13.309 -16.127 -14.948 1.00 0.00 H new ATOM 0 HD11 ILE B 35 17.958 -14.708 -14.674 1.00 0.00 H new ATOM 0 HD12 ILE B 35 17.766 -15.753 -16.101 1.00 0.00 H new ATOM 0 HD13 ILE B 35 17.262 -14.048 -16.173 1.00 0.00 H new ATOM 1463 N ASN B 36 13.771 -18.467 -15.275 1.00 0.00 N ATOM 1464 CA ASN B 36 12.587 -19.250 -14.939 1.00 0.00 C ATOM 1465 C ASN B 36 11.923 -18.716 -13.673 1.00 0.00 C ATOM 1466 O ASN B 36 12.528 -18.701 -12.601 1.00 0.00 O ATOM 1467 CB ASN B 36 12.959 -20.722 -14.751 1.00 0.00 C ATOM 1468 CG ASN B 36 12.934 -21.495 -16.055 1.00 0.00 C ATOM 1469 OD1 ASN B 36 13.768 -21.278 -16.935 1.00 0.00 O ATOM 1470 ND2 ASN B 36 11.974 -22.404 -16.186 1.00 0.00 N ATOM 0 H ASN B 36 14.462 -18.406 -14.527 1.00 0.00 H new ATOM 0 HA ASN B 36 11.879 -19.164 -15.764 1.00 0.00 H new ATOM 0 HB2 ASN B 36 13.954 -20.789 -14.311 1.00 0.00 H new ATOM 0 HB3 ASN B 36 12.267 -21.182 -14.046 1.00 0.00 H new ATOM 0 HD21 ASN B 36 11.907 -22.955 -17.042 1.00 0.00 H new ATOM 0 HD22 ASN B 36 11.304 -22.551 -15.431 1.00 0.00 H new ATOM 1477 N VAL B 37 10.674 -18.280 -13.805 1.00 0.00 N ATOM 1478 CA VAL B 37 9.927 -17.747 -12.672 1.00 0.00 C ATOM 1479 C VAL B 37 8.890 -18.749 -12.177 1.00 0.00 C ATOM 1480 O VAL B 37 8.196 -19.385 -12.971 1.00 0.00 O ATOM 1481 CB VAL B 37 9.217 -16.430 -13.037 1.00 0.00 C ATOM 1482 CG1 VAL B 37 8.092 -16.686 -14.029 1.00 0.00 C ATOM 1483 CG2 VAL B 37 8.690 -15.744 -11.786 1.00 0.00 C ATOM 0 H VAL B 37 10.158 -18.286 -14.685 1.00 0.00 H new ATOM 0 HA VAL B 37 10.650 -17.554 -11.879 1.00 0.00 H new ATOM 0 HB VAL B 37 9.941 -15.766 -13.509 1.00 0.00 H new ATOM 0 HG11 VAL B 37 7.602 -15.744 -14.275 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.501 -17.130 -14.937 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.366 -17.368 -13.587 1.00 0.00 H new ATOM 0 HG21 VAL B 37 8.191 -14.815 -12.063 1.00 0.00 H new ATOM 0 HG22 VAL B 37 7.980 -16.401 -11.283 1.00 0.00 H new ATOM 0 HG23 VAL B 37 9.520 -15.524 -11.115 1.00 0.00 H new ATOM 1493 N THR B 38 8.790 -18.886 -10.858 1.00 0.00 N ATOM 1494 CA THR B 38 7.839 -19.812 -10.256 1.00 0.00 C ATOM 1495 C THR B 38 7.065 -19.146 -9.124 1.00 0.00 C ATOM 1496 O THR B 38 7.636 -18.793 -8.093 1.00 0.00 O ATOM 1497 CB THR B 38 8.545 -21.067 -9.711 1.00 0.00 C ATOM 1498 OG1 THR B 38 9.659 -20.687 -8.896 1.00 0.00 O ATOM 1499 CG2 THR B 38 9.023 -21.957 -10.849 1.00 0.00 C ATOM 0 H THR B 38 9.356 -18.367 -10.187 1.00 0.00 H new ATOM 0 HA THR B 38 7.145 -20.108 -11.043 1.00 0.00 H new ATOM 0 HB THR B 38 7.829 -21.627 -9.109 1.00 0.00 H new ATOM 0 HG1 THR B 38 9.394 -19.956 -8.299 1.00 0.00 H new ATOM 0 HG21 THR B 38 9.519 -22.837 -10.439 1.00 0.00 H new ATOM 0 HG22 THR B 38 8.169 -22.269 -11.451 1.00 0.00 H new ATOM 0 HG23 THR B 38 9.724 -21.404 -11.474 1.00 0.00 H new ATOM 1576 N VAL B 44 6.492 -14.522 -5.735 1.00 0.00 N ATOM 1577 CA VAL B 44 7.155 -14.853 -6.991 1.00 0.00 C ATOM 1578 C VAL B 44 8.660 -14.997 -6.796 1.00 0.00 C ATOM 1579 O VAL B 44 9.296 -14.166 -6.145 1.00 0.00 O ATOM 1580 CB VAL B 44 6.888 -13.784 -8.067 1.00 0.00 C ATOM 1581 CG1 VAL B 44 5.396 -13.664 -8.341 1.00 0.00 C ATOM 1582 CG2 VAL B 44 7.470 -12.445 -7.642 1.00 0.00 C ATOM 0 HA VAL B 44 6.741 -15.804 -7.325 1.00 0.00 H new ATOM 0 HB VAL B 44 7.379 -14.091 -8.990 1.00 0.00 H new ATOM 0 HG11 VAL B 44 5.226 -12.904 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL B 44 5.012 -14.622 -8.691 1.00 0.00 H new ATOM 0 HG13 VAL B 44 4.879 -13.380 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL B 44 7.272 -11.701 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL B 44 7.009 -12.128 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL B 44 8.546 -12.544 -7.501 1.00 0.00 H new ATOM 1592 N THR B 45 9.227 -16.056 -7.364 1.00 0.00 N ATOM 1593 CA THR B 45 10.658 -16.310 -7.253 1.00 0.00 C ATOM 1594 C THR B 45 11.283 -16.547 -8.623 1.00 0.00 C ATOM 1595 O THR B 45 10.908 -17.480 -9.334 1.00 0.00 O ATOM 1596 CB THR B 45 10.945 -17.526 -6.353 1.00 0.00 C ATOM 1597 OG1 THR B 45 10.247 -17.391 -5.110 1.00 0.00 O ATOM 1598 CG2 THR B 45 12.437 -17.666 -6.090 1.00 0.00 C ATOM 0 H THR B 45 8.716 -16.753 -7.906 1.00 0.00 H new ATOM 0 HA THR B 45 11.102 -15.422 -6.803 1.00 0.00 H new ATOM 0 HB THR B 45 10.598 -18.421 -6.869 1.00 0.00 H new ATOM 0 HG1 THR B 45 10.433 -18.169 -4.544 1.00 0.00 H new ATOM 0 HG21 THR B 45 12.614 -18.532 -5.452 1.00 0.00 H new ATOM 0 HG22 THR B 45 12.962 -17.798 -7.036 1.00 0.00 H new ATOM 0 HG23 THR B 45 12.805 -16.768 -5.593 1.00 0.00 H new ATOM 1606 N VAL B 46 12.238 -15.698 -8.988 1.00 0.00 N ATOM 1607 CA VAL B 46 12.916 -15.817 -10.273 1.00 0.00 C ATOM 1608 C VAL B 46 14.221 -16.594 -10.136 1.00 0.00 C ATOM 1609 O VAL B 46 14.986 -16.378 -9.198 1.00 0.00 O ATOM 1610 CB VAL B 46 13.217 -14.433 -10.880 1.00 0.00 C ATOM 1611 CG1 VAL B 46 14.307 -13.728 -10.087 1.00 0.00 C ATOM 1612 CG2 VAL B 46 13.611 -14.567 -12.343 1.00 0.00 C ATOM 0 H VAL B 46 12.560 -14.920 -8.412 1.00 0.00 H new ATOM 0 HA VAL B 46 12.242 -16.358 -10.937 1.00 0.00 H new ATOM 0 HB VAL B 46 12.313 -13.827 -10.826 1.00 0.00 H new ATOM 0 HG11 VAL B 46 14.506 -12.752 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL B 46 13.980 -13.598 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL B 46 15.217 -14.328 -10.106 1.00 0.00 H new ATOM 0 HG21 VAL B 46 13.820 -13.580 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL B 46 14.502 -15.190 -12.424 1.00 0.00 H new ATOM 0 HG23 VAL B 46 12.794 -15.027 -12.899 1.00 0.00 H new ATOM 1622 N GLU B 47 14.467 -17.498 -11.080 1.00 0.00 N ATOM 1623 CA GLU B 47 15.679 -18.307 -11.063 1.00 0.00 C ATOM 1624 C GLU B 47 16.494 -18.093 -12.336 1.00 0.00 C ATOM 1625 O GLU B 47 15.984 -18.245 -13.445 1.00 0.00 O ATOM 1626 CB GLU B 47 15.328 -19.789 -10.913 1.00 0.00 C ATOM 1627 CG GLU B 47 15.096 -20.216 -9.473 1.00 0.00 C ATOM 1628 CD GLU B 47 14.672 -21.668 -9.357 1.00 0.00 C ATOM 1629 OE1 GLU B 47 13.458 -21.941 -9.461 1.00 0.00 O ATOM 1630 OE2 GLU B 47 15.554 -22.530 -9.162 1.00 0.00 O ATOM 0 H GLU B 47 13.843 -17.688 -11.865 1.00 0.00 H new ATOM 0 HA GLU B 47 16.281 -17.995 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU B 47 14.432 -20.002 -11.495 1.00 0.00 H new ATOM 0 HB3 GLU B 47 16.133 -20.389 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU B 47 16.010 -20.061 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU B 47 14.330 -19.581 -9.028 1.00 0.00 H new ATOM 1637 N GLY B 48 17.764 -17.737 -12.166 1.00 0.00 N ATOM 1638 CA GLY B 48 18.629 -17.506 -13.308 1.00 0.00 C ATOM 1639 C GLY B 48 19.931 -18.277 -13.214 1.00 0.00 C ATOM 1640 O GLY B 48 20.423 -18.545 -12.118 1.00 0.00 O ATOM 0 H GLY B 48 18.209 -17.605 -11.258 1.00 0.00 H new ATOM 0 HA2 GLY B 48 18.106 -17.792 -14.220 1.00 0.00 H new ATOM 0 HA3 GLY B 48 18.846 -16.441 -13.386 1.00 0.00 H new ATOM 1644 N GLN B 49 20.489 -18.635 -14.366 1.00 0.00 N ATOM 1645 CA GLN B 49 21.741 -19.382 -14.408 1.00 0.00 C ATOM 1646 C GLN B 49 22.804 -18.617 -15.189 1.00 0.00 C ATOM 1647 O GLN B 49 22.491 -17.867 -16.115 1.00 0.00 O ATOM 1648 CB GLN B 49 21.518 -20.757 -15.039 1.00 0.00 C ATOM 1649 CG GLN B 49 21.361 -20.715 -16.551 1.00 0.00 C ATOM 1650 CD GLN B 49 20.151 -21.490 -17.034 1.00 0.00 C ATOM 1651 OE1 GLN B 49 19.406 -20.906 -17.965 1.00 0.00 O flip ATOM 1652 NE2 GLN B 49 19.888 -22.602 -16.575 1.00 0.00 N flip ATOM 0 H GLN B 49 20.095 -18.420 -15.282 1.00 0.00 H new ATOM 0 HA GLN B 49 22.092 -19.513 -13.384 1.00 0.00 H new ATOM 0 HB2 GLN B 49 22.359 -21.404 -14.787 1.00 0.00 H new ATOM 0 HB3 GLN B 49 20.627 -21.208 -14.602 1.00 0.00 H new ATOM 0 HG2 GLN B 49 21.276 -19.678 -16.875 1.00 0.00 H new ATOM 0 HG3 GLN B 49 22.258 -21.122 -17.017 1.00 0.00 H new ATOM 0 HE21 GLN B 49 20.488 -23.014 -15.860 1.00 0.00 H new ATOM 0 HE22 GLN B 49 19.070 -23.111 -16.910 1.00 0.00 H new ATOM 1661 N LEU B 50 24.063 -18.812 -14.811 1.00 0.00 N ATOM 1662 CA LEU B 50 25.174 -18.140 -15.475 1.00 0.00 C ATOM 1663 C LEU B 50 26.227 -19.147 -15.928 1.00 0.00 C ATOM 1664 O LEU B 50 26.715 -19.948 -15.132 1.00 0.00 O ATOM 1665 CB LEU B 50 25.807 -17.110 -14.539 1.00 0.00 C ATOM 1666 CG LEU B 50 26.407 -15.873 -15.208 1.00 0.00 C ATOM 1667 CD1 LEU B 50 27.673 -16.238 -15.967 1.00 0.00 C ATOM 1668 CD2 LEU B 50 25.393 -15.226 -16.139 1.00 0.00 C ATOM 0 H LEU B 50 24.339 -19.430 -14.048 1.00 0.00 H new ATOM 0 HA LEU B 50 24.783 -17.629 -16.355 1.00 0.00 H new ATOM 0 HB2 LEU B 50 25.049 -16.782 -13.827 1.00 0.00 H new ATOM 0 HB3 LEU B 50 26.591 -17.604 -13.965 1.00 0.00 H new ATOM 0 HG LEU B 50 26.668 -15.154 -14.431 1.00 0.00 H new ATOM 0 HD11 LEU B 50 28.086 -15.345 -16.437 1.00 0.00 H new ATOM 0 HD12 LEU B 50 28.404 -16.655 -15.275 1.00 0.00 H new ATOM 0 HD13 LEU B 50 27.437 -16.975 -16.734 1.00 0.00 H new ATOM 0 HD21 LEU B 50 25.837 -14.347 -16.606 1.00 0.00 H new ATOM 0 HD22 LEU B 50 25.101 -15.939 -16.910 1.00 0.00 H new ATOM 0 HD23 LEU B 50 24.513 -14.928 -15.568 1.00 0.00 H new