USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 47 LYS NZ :NH3+ -157:sc= 0.551! (180deg=-2.78!) USER MOD Set 1.2: B 53 SER OG : rot -96:sc= 1.94 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -172:sc= 3.59 (180deg=2.38) USER MOD Set 2.2: A 53 SER OG : rot -89:sc= 2.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= -0.56 (180deg=-0.957) USER MOD Single : A 4 THR OG1 : rot 89:sc= -1.58! USER MOD Single : A 20 LYS NZ :NH3+ 138:sc= 1.18 (180deg=0.107) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.326 USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.739) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -3.83! USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 99:sc= -2.68! USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 79:sc= 0.524 USER MOD Single : B 48 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.414) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.925 -13.382 10.487 1.00 3.96 N ATOM 2 CA MET A 1 6.307 -12.910 10.249 1.00 3.42 C ATOM 3 C MET A 1 6.418 -11.408 10.497 1.00 2.72 C ATOM 4 O MET A 1 7.162 -10.969 11.371 1.00 3.29 O ATOM 5 CB MET A 1 6.735 -13.229 8.812 1.00 3.67 C ATOM 6 CG MET A 1 8.124 -12.722 8.460 1.00 4.16 C ATOM 7 SD MET A 1 8.555 -13.013 6.734 1.00 4.95 S ATOM 8 CE MET A 1 10.152 -12.203 6.652 1.00 5.91 C ATOM 0 H1 MET A 1 4.873 -14.406 10.312 1.00 3.96 H new ATOM 0 H2 MET A 1 4.656 -13.185 11.472 1.00 3.96 H new ATOM 0 H3 MET A 1 4.274 -12.888 9.844 1.00 3.96 H new ATOM 0 HA MET A 1 6.967 -13.428 10.945 1.00 3.42 H new ATOM 0 HB2 MET A 1 6.704 -14.309 8.665 1.00 3.67 H new ATOM 0 HB3 MET A 1 6.013 -12.792 8.122 1.00 3.67 H new ATOM 0 HG2 MET A 1 8.180 -11.654 8.669 1.00 4.16 H new ATOM 0 HG3 MET A 1 8.858 -13.211 9.101 1.00 4.16 H new ATOM 0 HE1 MET A 1 10.555 -12.294 5.643 1.00 5.91 H new ATOM 0 HE2 MET A 1 10.038 -11.148 6.903 1.00 5.91 H new ATOM 0 HE3 MET A 1 10.835 -12.673 7.359 1.00 5.91 H new ATOM 20 N LYS A 2 5.662 -10.622 9.740 1.00 1.76 N ATOM 21 CA LYS A 2 5.777 -9.170 9.794 1.00 1.11 C ATOM 22 C LYS A 2 4.535 -8.524 10.386 1.00 0.77 C ATOM 23 O LYS A 2 4.203 -8.736 11.550 1.00 0.80 O ATOM 24 CB LYS A 2 6.050 -8.615 8.392 1.00 0.64 C ATOM 25 CG LYS A 2 7.436 -8.938 7.866 1.00 0.98 C ATOM 26 CD LYS A 2 8.519 -8.410 8.792 1.00 1.79 C ATOM 27 CE LYS A 2 8.405 -6.906 8.975 1.00 2.66 C ATOM 28 NZ LYS A 2 9.476 -6.372 9.858 1.00 3.71 N ATOM 0 H LYS A 2 4.963 -10.966 9.082 1.00 1.76 H new ATOM 0 HA LYS A 2 6.613 -8.927 10.449 1.00 1.11 H new ATOM 0 HB2 LYS A 2 5.307 -9.015 7.702 1.00 0.64 H new ATOM 0 HB3 LYS A 2 5.920 -7.533 8.408 1.00 0.64 H new ATOM 0 HG2 LYS A 2 7.543 -10.017 7.757 1.00 0.98 H new ATOM 0 HG3 LYS A 2 7.560 -8.504 6.874 1.00 0.98 H new ATOM 0 HD2 LYS A 2 8.444 -8.903 9.761 1.00 1.79 H new ATOM 0 HD3 LYS A 2 9.500 -8.656 8.385 1.00 1.79 H new ATOM 0 HE2 LYS A 2 8.459 -6.417 8.002 1.00 2.66 H new ATOM 0 HE3 LYS A 2 7.431 -6.665 9.400 1.00 2.66 H new ATOM 0 HZ1 LYS A 2 9.218 -5.416 10.177 1.00 3.71 H new ATOM 0 HZ2 LYS A 2 9.588 -6.994 10.684 1.00 3.71 H new ATOM 0 HZ3 LYS A 2 10.372 -6.331 9.331 1.00 3.71 H new ATOM 42 N ALA A 3 3.884 -7.726 9.554 1.00 0.50 N ATOM 43 CA ALA A 3 2.655 -7.013 9.894 1.00 0.32 C ATOM 44 C ALA A 3 2.894 -5.851 10.851 1.00 0.37 C ATOM 45 O ALA A 3 3.747 -5.904 11.738 1.00 0.72 O ATOM 46 CB ALA A 3 1.594 -7.960 10.442 1.00 0.44 C ATOM 0 H ALA A 3 4.200 -7.550 8.600 1.00 0.50 H new ATOM 0 HA ALA A 3 2.283 -6.585 8.963 1.00 0.32 H new ATOM 0 HB1 ALA A 3 0.693 -7.396 10.684 1.00 0.44 H new ATOM 0 HB2 ALA A 3 1.358 -8.715 9.692 1.00 0.44 H new ATOM 0 HB3 ALA A 3 1.970 -8.447 11.342 1.00 0.44 H new ATOM 52 N THR A 4 2.139 -4.785 10.630 1.00 0.23 N ATOM 53 CA THR A 4 2.208 -3.589 11.448 1.00 0.26 C ATOM 54 C THR A 4 0.813 -3.156 11.876 1.00 0.27 C ATOM 55 O THR A 4 0.547 -2.982 13.065 1.00 0.41 O ATOM 56 CB THR A 4 2.898 -2.449 10.692 1.00 0.26 C ATOM 57 OG1 THR A 4 2.336 -2.339 9.384 1.00 0.23 O ATOM 58 CG2 THR A 4 4.392 -2.698 10.574 1.00 0.27 C ATOM 0 H THR A 4 1.458 -4.728 9.873 1.00 0.23 H new ATOM 0 HA THR A 4 2.796 -3.822 12.336 1.00 0.26 H new ATOM 0 HB THR A 4 2.743 -1.525 11.248 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.566 -1.733 9.409 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.857 -1.874 10.033 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.829 -2.770 11.570 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.564 -3.629 10.034 1.00 0.27 H new ATOM 66 N GLY A 5 -0.066 -2.969 10.902 1.00 0.21 N ATOM 67 CA GLY A 5 -1.453 -2.698 11.209 1.00 0.24 C ATOM 68 C GLY A 5 -1.709 -1.234 11.478 1.00 0.25 C ATOM 69 O GLY A 5 -2.221 -0.859 12.533 1.00 0.32 O ATOM 0 H GLY A 5 0.157 -3.000 9.907 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.077 -3.026 10.378 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -1.750 -3.282 12.080 1.00 0.24 H new ATOM 73 N ILE A 6 -1.312 -0.399 10.539 1.00 0.21 N ATOM 74 CA ILE A 6 -1.662 1.007 10.582 1.00 0.22 C ATOM 75 C ILE A 6 -2.683 1.308 9.492 1.00 0.19 C ATOM 76 O ILE A 6 -2.369 1.269 8.311 1.00 0.17 O ATOM 77 CB ILE A 6 -0.412 1.924 10.442 1.00 0.23 C ATOM 78 CG1 ILE A 6 -0.823 3.361 10.102 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.557 1.387 9.400 1.00 0.20 C ATOM 80 CD1 ILE A 6 -1.680 4.022 11.161 1.00 0.31 C ATOM 0 H ILE A 6 -0.746 -0.670 9.735 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.099 1.221 11.557 1.00 0.22 H new ATOM 0 HB ILE A 6 0.099 1.930 11.405 1.00 0.23 H new ATOM 0 HG12 ILE A 6 0.076 3.959 9.951 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.367 3.359 9.158 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.418 2.051 9.328 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.890 0.391 9.692 1.00 0.20 H new ATOM 0 HG23 ILE A 6 0.058 1.333 8.432 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -1.929 5.036 10.847 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -2.597 3.449 11.297 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.132 4.058 12.102 1.00 0.31 H new ATOM 92 N VAL A 7 -3.918 1.565 9.893 1.00 0.24 N ATOM 93 CA VAL A 7 -4.979 1.854 8.940 1.00 0.22 C ATOM 94 C VAL A 7 -4.961 3.320 8.519 1.00 0.23 C ATOM 95 O VAL A 7 -4.813 4.217 9.353 1.00 0.28 O ATOM 96 CB VAL A 7 -6.369 1.463 9.488 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.479 2.088 8.651 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.503 -0.050 9.503 1.00 0.23 C ATOM 0 H VAL A 7 -4.211 1.580 10.870 1.00 0.24 H new ATOM 0 HA VAL A 7 -4.788 1.242 8.058 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.464 1.842 10.506 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.448 1.798 9.057 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.386 3.174 8.675 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.398 1.740 7.621 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.484 -0.325 9.890 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.392 -0.435 8.489 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -5.729 -0.478 10.140 1.00 0.23 H new ATOM 108 N ARG A 8 -5.117 3.555 7.221 1.00 0.22 N ATOM 109 CA ARG A 8 -5.061 4.871 6.624 1.00 0.25 C ATOM 110 C ARG A 8 -6.305 5.042 5.747 1.00 0.23 C ATOM 111 O ARG A 8 -6.473 4.307 4.776 1.00 0.26 O ATOM 112 CB ARG A 8 -3.773 4.958 5.769 1.00 0.26 C ATOM 113 CG ARG A 8 -3.830 5.880 4.543 1.00 0.27 C ATOM 114 CD ARG A 8 -4.176 7.306 4.906 1.00 0.31 C ATOM 115 NE ARG A 8 -4.007 8.237 3.794 1.00 1.12 N ATOM 116 CZ ARG A 8 -3.847 9.553 3.953 1.00 1.16 C ATOM 117 NH1 ARG A 8 -3.803 10.080 5.171 1.00 0.64 N ATOM 118 NH2 ARG A 8 -3.749 10.349 2.894 1.00 1.99 N ATOM 0 H ARG A 8 -5.290 2.812 6.543 1.00 0.22 H new ATOM 0 HA ARG A 8 -5.041 5.657 7.378 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -2.958 5.293 6.411 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.519 3.954 5.430 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.866 5.862 4.034 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.570 5.498 3.839 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -5.209 7.346 5.252 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -3.548 7.625 5.738 1.00 0.31 H new ATOM 0 HE ARG A 8 -4.011 7.862 2.845 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -3.892 9.479 5.990 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -3.681 11.086 5.287 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -3.796 9.955 1.954 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -3.627 11.354 3.021 1.00 1.99 H new ATOM 132 N ARG A 9 -7.196 5.962 6.095 1.00 0.19 N ATOM 133 CA ARG A 9 -8.331 6.252 5.229 1.00 0.18 C ATOM 134 C ARG A 9 -7.865 7.196 4.148 1.00 0.20 C ATOM 135 O ARG A 9 -7.704 8.382 4.428 1.00 0.22 O ATOM 136 CB ARG A 9 -9.487 6.900 5.988 1.00 0.19 C ATOM 137 CG ARG A 9 -10.810 6.779 5.263 1.00 0.28 C ATOM 138 CD ARG A 9 -11.714 5.755 5.924 1.00 0.62 C ATOM 139 NE ARG A 9 -12.404 6.296 7.093 1.00 1.45 N ATOM 140 CZ ARG A 9 -13.311 5.624 7.798 1.00 1.80 C ATOM 141 NH1 ARG A 9 -13.621 4.378 7.471 1.00 1.59 N ATOM 142 NH2 ARG A 9 -13.916 6.198 8.829 1.00 2.80 N ATOM 0 H ARG A 9 -7.157 6.511 6.954 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.697 5.312 4.815 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.574 6.438 6.971 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -9.263 7.954 6.150 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -11.307 7.749 5.247 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.633 6.494 4.226 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -12.450 5.403 5.201 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.122 4.890 6.223 1.00 0.62 H new ATOM 0 HE ARG A 9 -12.177 7.246 7.386 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -13.164 3.930 6.676 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -14.317 3.866 8.014 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -13.687 7.158 9.085 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -14.610 5.679 9.366 1.00 2.80 H new ATOM 156 N ILE A 10 -7.661 6.641 2.943 1.00 0.21 N ATOM 157 CA ILE A 10 -7.131 7.358 1.762 1.00 0.24 C ATOM 158 C ILE A 10 -7.144 8.885 1.891 1.00 0.29 C ATOM 159 O ILE A 10 -6.323 9.428 2.615 1.00 0.33 O ATOM 160 CB ILE A 10 -7.848 6.916 0.454 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.320 6.514 0.702 1.00 0.21 C ATOM 162 CG2 ILE A 10 -7.079 5.760 -0.155 1.00 0.21 C ATOM 163 CD1 ILE A 10 -10.076 7.458 1.604 1.00 0.22 C ATOM 0 H ILE A 10 -7.863 5.659 2.754 1.00 0.21 H new ATOM 0 HA ILE A 10 -6.081 7.069 1.709 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.866 7.762 -0.233 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.835 6.455 -0.257 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.343 5.515 1.138 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.571 5.440 -1.073 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -6.061 6.079 -0.380 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -7.051 4.930 0.550 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -11.099 7.103 1.726 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.588 7.500 2.578 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -10.087 8.454 1.161 1.00 0.22 H new ATOM 175 N ASP A 11 -8.055 9.557 1.185 1.00 0.30 N ATOM 176 CA ASP A 11 -8.251 11.002 1.285 1.00 0.36 C ATOM 177 C ASP A 11 -8.946 11.465 0.026 1.00 0.36 C ATOM 178 O ASP A 11 -9.396 10.640 -0.757 1.00 0.36 O ATOM 179 CB ASP A 11 -6.930 11.783 1.477 1.00 0.37 C ATOM 180 CG ASP A 11 -6.065 11.882 0.230 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.415 10.886 -0.150 1.00 1.13 O ATOM 182 OD2 ASP A 11 -6.009 12.976 -0.361 1.00 1.12 O ATOM 0 H ASP A 11 -8.684 9.107 0.520 1.00 0.30 H new ATOM 0 HA ASP A 11 -8.853 11.204 2.171 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -7.166 12.790 1.820 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -6.352 11.304 2.267 1.00 0.37 H new ATOM 187 N ASP A 12 -9.016 12.771 -0.179 1.00 0.41 N ATOM 188 CA ASP A 12 -9.689 13.328 -1.347 1.00 0.43 C ATOM 189 C ASP A 12 -8.894 13.055 -2.621 1.00 0.37 C ATOM 190 O ASP A 12 -9.363 13.317 -3.728 1.00 0.50 O ATOM 191 CB ASP A 12 -9.912 14.829 -1.166 1.00 0.54 C ATOM 192 CG ASP A 12 -10.943 15.136 -0.098 1.00 1.38 C ATOM 193 OD1 ASP A 12 -10.678 14.867 1.094 1.00 1.98 O ATOM 194 OD2 ASP A 12 -12.026 15.652 -0.442 1.00 2.26 O ATOM 0 H ASP A 12 -8.615 13.468 0.448 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.658 12.839 -1.445 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -8.967 15.305 -0.902 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -10.234 15.262 -2.113 1.00 0.54 H new ATOM 199 N LEU A 13 -7.681 12.547 -2.457 1.00 0.32 N ATOM 200 CA LEU A 13 -6.859 12.145 -3.582 1.00 0.29 C ATOM 201 C LEU A 13 -6.782 10.619 -3.647 1.00 0.24 C ATOM 202 O LEU A 13 -7.213 10.014 -4.630 1.00 0.26 O ATOM 203 CB LEU A 13 -5.459 12.757 -3.458 1.00 0.32 C ATOM 204 CG LEU A 13 -4.629 12.820 -4.748 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.244 11.429 -5.228 1.00 0.36 C ATOM 206 CD2 LEU A 13 -5.388 13.571 -5.830 1.00 0.53 C ATOM 0 H LEU A 13 -7.244 12.404 -1.546 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.309 12.510 -4.505 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.561 13.769 -3.067 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.899 12.184 -2.718 1.00 0.32 H new ATOM 0 HG LEU A 13 -3.708 13.360 -4.529 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -3.657 11.509 -6.143 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.653 10.930 -4.460 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -5.146 10.850 -5.425 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -4.786 13.607 -6.738 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.328 13.059 -6.037 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -5.595 14.586 -5.491 1.00 0.53 H new ATOM 218 N GLY A 14 -6.225 10.002 -2.607 1.00 0.21 N ATOM 219 CA GLY A 14 -6.125 8.561 -2.578 1.00 0.19 C ATOM 220 C GLY A 14 -4.761 8.064 -2.140 1.00 0.19 C ATOM 221 O GLY A 14 -4.390 6.934 -2.433 1.00 0.22 O ATOM 0 H GLY A 14 -5.844 10.477 -1.789 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.883 8.165 -1.902 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.346 8.168 -3.570 1.00 0.19 H new ATOM 225 N ARG A 15 -4.005 8.887 -1.426 1.00 0.19 N ATOM 226 CA ARG A 15 -2.682 8.459 -0.981 1.00 0.20 C ATOM 227 C ARG A 15 -2.784 7.601 0.257 1.00 0.17 C ATOM 228 O ARG A 15 -3.683 7.769 1.083 1.00 0.17 O ATOM 229 CB ARG A 15 -1.760 9.621 -0.637 1.00 0.25 C ATOM 230 CG ARG A 15 -1.657 10.693 -1.682 1.00 0.25 C ATOM 231 CD ARG A 15 -2.414 11.909 -1.215 1.00 0.29 C ATOM 232 NE ARG A 15 -1.988 13.120 -1.915 1.00 0.40 N ATOM 233 CZ ARG A 15 -2.653 14.276 -1.900 1.00 0.54 C ATOM 234 NH1 ARG A 15 -3.803 14.388 -1.244 1.00 0.67 N ATOM 235 NH2 ARG A 15 -2.166 15.319 -2.559 1.00 0.69 N ATOM 0 H ARG A 15 -4.273 9.831 -1.147 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.264 7.905 -1.822 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -2.106 10.075 0.292 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.762 9.226 -0.446 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.612 10.946 -1.860 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.064 10.337 -2.628 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.481 11.755 -1.373 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -2.266 12.039 -0.143 1.00 0.29 H new ATOM 0 HE ARG A 15 -1.122 13.078 -2.452 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -4.186 13.585 -0.745 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -4.303 15.277 -1.239 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -1.289 15.234 -3.072 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -2.669 16.206 -2.552 1.00 0.69 H new ATOM 249 N VAL A 16 -1.836 6.704 0.395 1.00 0.18 N ATOM 250 CA VAL A 16 -1.654 5.974 1.615 1.00 0.20 C ATOM 251 C VAL A 16 -0.375 6.462 2.252 1.00 0.19 C ATOM 252 O VAL A 16 0.719 6.090 1.837 1.00 0.21 O ATOM 253 CB VAL A 16 -1.589 4.457 1.365 1.00 0.29 C ATOM 254 CG1 VAL A 16 -1.243 3.720 2.642 1.00 1.11 C ATOM 255 CG2 VAL A 16 -2.909 3.963 0.799 1.00 1.24 C ATOM 0 H VAL A 16 -1.171 6.464 -0.340 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.504 6.145 2.275 1.00 0.20 H new ATOM 0 HB VAL A 16 -0.803 4.257 0.637 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -1.202 2.649 2.444 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -0.273 4.059 3.007 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -2.004 3.921 3.396 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -2.851 2.888 0.626 1.00 1.24 H new ATOM 0 HG22 VAL A 16 -3.710 4.174 1.507 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -3.114 4.472 -0.143 1.00 1.24 H new ATOM 265 N VAL A 17 -0.523 7.352 3.211 1.00 0.20 N ATOM 266 CA VAL A 17 0.616 7.965 3.850 1.00 0.21 C ATOM 267 C VAL A 17 1.374 6.919 4.653 1.00 0.21 C ATOM 268 O VAL A 17 0.941 6.522 5.734 1.00 0.26 O ATOM 269 CB VAL A 17 0.189 9.123 4.769 1.00 0.25 C ATOM 270 CG1 VAL A 17 1.402 9.782 5.405 1.00 0.28 C ATOM 271 CG2 VAL A 17 -0.648 10.134 3.994 1.00 0.27 C ATOM 0 H VAL A 17 -1.427 7.666 3.564 1.00 0.20 H new ATOM 0 HA VAL A 17 1.263 8.375 3.074 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.427 8.720 5.573 1.00 0.25 H new ATOM 0 HG11 VAL A 17 1.076 10.598 6.050 1.00 0.28 H new ATOM 0 HG12 VAL A 17 1.947 9.047 5.997 1.00 0.28 H new ATOM 0 HG13 VAL A 17 2.054 10.175 4.625 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -0.943 10.947 4.657 1.00 0.27 H new ATOM 0 HG22 VAL A 17 -0.061 10.535 3.167 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.540 9.644 3.602 1.00 0.27 H new ATOM 281 N ILE A 18 2.475 6.445 4.095 1.00 0.20 N ATOM 282 CA ILE A 18 3.268 5.412 4.728 1.00 0.22 C ATOM 283 C ILE A 18 4.385 6.025 5.561 1.00 0.20 C ATOM 284 O ILE A 18 5.298 6.661 5.030 1.00 0.21 O ATOM 285 CB ILE A 18 3.844 4.416 3.685 1.00 0.26 C ATOM 286 CG1 ILE A 18 2.744 3.449 3.230 1.00 0.42 C ATOM 287 CG2 ILE A 18 5.030 3.649 4.259 1.00 0.25 C ATOM 288 CD1 ILE A 18 3.249 2.314 2.364 1.00 0.77 C ATOM 0 H ILE A 18 2.840 6.764 3.198 1.00 0.20 H new ATOM 0 HA ILE A 18 2.610 4.851 5.392 1.00 0.22 H new ATOM 0 HB ILE A 18 4.200 4.981 2.823 1.00 0.26 H new ATOM 0 HG12 ILE A 18 2.253 3.032 4.109 1.00 0.42 H new ATOM 0 HG13 ILE A 18 1.988 4.007 2.677 1.00 0.42 H new ATOM 0 HG21 ILE A 18 5.414 2.958 3.508 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.815 4.351 4.542 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.710 3.089 5.137 1.00 0.25 H new ATOM 0 HD11 ILE A 18 2.414 1.673 2.082 1.00 0.77 H new ATOM 0 HD12 ILE A 18 3.714 2.721 1.466 1.00 0.77 H new ATOM 0 HD13 ILE A 18 3.983 1.731 2.920 1.00 0.77 H new ATOM 300 N PRO A 19 4.285 5.883 6.892 1.00 0.23 N ATOM 301 CA PRO A 19 5.334 6.300 7.815 1.00 0.26 C ATOM 302 C PRO A 19 6.706 5.771 7.429 1.00 0.24 C ATOM 303 O PRO A 19 6.841 4.701 6.829 1.00 0.23 O ATOM 304 CB PRO A 19 4.901 5.686 9.132 1.00 0.29 C ATOM 305 CG PRO A 19 3.422 5.670 9.045 1.00 0.32 C ATOM 306 CD PRO A 19 3.116 5.345 7.609 1.00 0.29 C ATOM 0 HA PRO A 19 5.441 7.385 7.834 1.00 0.26 H new ATOM 0 HB2 PRO A 19 5.305 4.682 9.257 1.00 0.29 H new ATOM 0 HB3 PRO A 19 5.245 6.276 9.981 1.00 0.29 H new ATOM 0 HG2 PRO A 19 2.996 4.925 9.717 1.00 0.32 H new ATOM 0 HG3 PRO A 19 3.000 6.634 9.329 1.00 0.32 H new ATOM 0 HD2 PRO A 19 3.005 4.272 7.453 1.00 0.29 H new ATOM 0 HD3 PRO A 19 2.189 5.813 7.278 1.00 0.29 H new ATOM 314 N LYS A 20 7.729 6.502 7.818 1.00 0.27 N ATOM 315 CA LYS A 20 9.094 6.120 7.517 1.00 0.28 C ATOM 316 C LYS A 20 9.487 4.856 8.258 1.00 0.25 C ATOM 317 O LYS A 20 10.489 4.258 7.937 1.00 0.26 O ATOM 318 CB LYS A 20 10.092 7.240 7.829 1.00 0.35 C ATOM 319 CG LYS A 20 9.716 8.124 9.011 1.00 0.40 C ATOM 320 CD LYS A 20 8.684 9.163 8.604 1.00 0.55 C ATOM 321 CE LYS A 20 9.239 10.081 7.519 1.00 0.77 C ATOM 322 NZ LYS A 20 8.224 11.032 7.000 1.00 1.57 N ATOM 0 H LYS A 20 7.641 7.370 8.347 1.00 0.27 H new ATOM 0 HA LYS A 20 9.132 5.928 6.445 1.00 0.28 H new ATOM 0 HB2 LYS A 20 11.067 6.794 8.024 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.199 7.868 6.944 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.320 7.509 9.819 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.606 8.621 9.396 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.784 8.666 8.241 1.00 0.55 H new ATOM 0 HD3 LYS A 20 8.393 9.754 9.473 1.00 0.55 H new ATOM 0 HE2 LYS A 20 10.084 10.641 7.919 1.00 0.77 H new ATOM 0 HE3 LYS A 20 9.619 9.476 6.696 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 8.656 11.971 6.882 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 7.870 10.695 6.082 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 7.433 11.097 7.673 1.00 1.57 H new ATOM 336 N GLU A 21 8.703 4.457 9.251 1.00 0.24 N ATOM 337 CA GLU A 21 9.010 3.259 10.031 1.00 0.24 C ATOM 338 C GLU A 21 8.995 1.993 9.160 1.00 0.22 C ATOM 339 O GLU A 21 9.702 1.017 9.445 1.00 0.23 O ATOM 340 CB GLU A 21 8.033 3.111 11.198 1.00 0.27 C ATOM 341 CG GLU A 21 6.596 2.899 10.777 1.00 0.35 C ATOM 342 CD GLU A 21 5.659 2.829 11.961 1.00 0.73 C ATOM 343 OE1 GLU A 21 5.731 1.841 12.723 1.00 1.32 O ATOM 344 OE2 GLU A 21 4.856 3.764 12.146 1.00 1.30 O ATOM 0 H GLU A 21 7.852 4.941 9.537 1.00 0.24 H new ATOM 0 HA GLU A 21 10.019 3.378 10.427 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.347 2.270 11.816 1.00 0.27 H new ATOM 0 HB3 GLU A 21 8.090 4.004 11.821 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.288 3.712 10.120 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.520 1.977 10.201 1.00 0.35 H new ATOM 351 N ILE A 22 8.250 2.026 8.061 1.00 0.23 N ATOM 352 CA ILE A 22 8.143 0.853 7.210 1.00 0.25 C ATOM 353 C ILE A 22 9.297 0.873 6.226 1.00 0.24 C ATOM 354 O ILE A 22 10.012 -0.109 6.070 1.00 0.25 O ATOM 355 CB ILE A 22 6.797 0.786 6.448 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.623 0.808 7.429 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.734 -0.466 5.585 1.00 0.35 C ATOM 358 CD1 ILE A 22 5.093 2.193 7.720 1.00 0.25 C ATOM 0 H ILE A 22 7.721 2.838 7.744 1.00 0.23 H new ATOM 0 HA ILE A 22 8.183 -0.033 7.843 1.00 0.25 H new ATOM 0 HB ILE A 22 6.728 1.660 5.801 1.00 0.29 H new ATOM 0 HG12 ILE A 22 4.815 0.198 7.026 1.00 0.27 H new ATOM 0 HG13 ILE A 22 5.936 0.345 8.365 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.781 -0.496 5.057 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.549 -0.451 4.862 1.00 0.35 H new ATOM 0 HG23 ILE A 22 6.827 -1.349 6.217 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.263 2.125 8.423 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.886 2.802 8.153 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.747 2.652 6.794 1.00 0.25 H new ATOM 370 N ARG A 23 9.502 2.037 5.619 1.00 0.23 N ATOM 371 CA ARG A 23 10.640 2.282 4.738 1.00 0.22 C ATOM 372 C ARG A 23 11.931 2.110 5.533 1.00 0.23 C ATOM 373 O ARG A 23 12.982 1.771 4.994 1.00 0.24 O ATOM 374 CB ARG A 23 10.483 3.691 4.114 1.00 0.24 C ATOM 375 CG ARG A 23 11.728 4.573 4.081 1.00 0.48 C ATOM 376 CD ARG A 23 12.074 5.117 5.454 1.00 0.39 C ATOM 377 NE ARG A 23 12.468 6.525 5.441 1.00 0.82 N ATOM 378 CZ ARG A 23 13.305 7.067 6.325 1.00 0.96 C ATOM 379 NH1 ARG A 23 13.947 6.296 7.198 1.00 1.34 N ATOM 380 NH2 ARG A 23 13.518 8.374 6.318 1.00 1.50 N ATOM 0 H ARG A 23 8.882 2.840 5.724 1.00 0.23 H new ATOM 0 HA ARG A 23 10.680 1.566 3.917 1.00 0.22 H new ATOM 0 HB2 ARG A 23 10.125 3.571 3.092 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.706 4.221 4.664 1.00 0.24 H new ATOM 0 HG2 ARG A 23 12.570 3.998 3.696 1.00 0.48 H new ATOM 0 HG3 ARG A 23 11.567 5.402 3.392 1.00 0.48 H new ATOM 0 HD2 ARG A 23 11.214 4.995 6.112 1.00 0.39 H new ATOM 0 HD3 ARG A 23 12.885 4.525 5.877 1.00 0.39 H new ATOM 0 HE ARG A 23 12.080 7.126 4.714 1.00 0.82 H new ATOM 0 HH11 ARG A 23 13.799 5.287 7.192 1.00 1.34 H new ATOM 0 HH12 ARG A 23 14.587 6.714 7.873 1.00 1.34 H new ATOM 0 HH21 ARG A 23 13.042 8.965 5.636 1.00 1.50 H new ATOM 0 HH22 ARG A 23 14.158 8.790 6.994 1.00 1.50 H new ATOM 394 N ARG A 24 11.821 2.348 6.828 1.00 0.24 N ATOM 395 CA ARG A 24 12.910 2.137 7.758 1.00 0.27 C ATOM 396 C ARG A 24 13.276 0.670 7.824 1.00 0.29 C ATOM 397 O ARG A 24 14.443 0.317 7.676 1.00 0.32 O ATOM 398 CB ARG A 24 12.536 2.628 9.148 1.00 0.31 C ATOM 399 CG ARG A 24 13.632 2.434 10.175 1.00 0.39 C ATOM 400 CD ARG A 24 13.119 2.670 11.586 1.00 0.45 C ATOM 401 NE ARG A 24 12.353 1.524 12.084 1.00 1.39 N ATOM 402 CZ ARG A 24 11.200 1.624 12.747 1.00 1.90 C ATOM 403 NH1 ARG A 24 10.680 2.813 13.011 1.00 1.52 N ATOM 404 NH2 ARG A 24 10.573 0.527 13.152 1.00 2.96 N ATOM 0 H ARG A 24 10.967 2.695 7.264 1.00 0.24 H new ATOM 0 HA ARG A 24 13.769 2.705 7.400 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.283 3.687 9.094 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.641 2.103 9.481 1.00 0.31 H new ATOM 0 HG2 ARG A 24 14.032 1.423 10.096 1.00 0.39 H new ATOM 0 HG3 ARG A 24 14.454 3.119 9.966 1.00 0.39 H new ATOM 0 HD2 ARG A 24 13.961 2.862 12.252 1.00 0.45 H new ATOM 0 HD3 ARG A 24 12.491 3.561 11.601 1.00 0.45 H new ATOM 0 HE ARG A 24 12.726 0.590 11.913 1.00 1.39 H new ATOM 0 HH11 ARG A 24 11.162 3.659 12.707 1.00 1.52 H new ATOM 0 HH12 ARG A 24 9.798 2.883 13.518 1.00 1.52 H new ATOM 0 HH21 ARG A 24 10.973 -0.391 12.956 1.00 2.96 H new ATOM 0 HH22 ARG A 24 9.691 0.601 13.659 1.00 2.96 H new ATOM 418 N THR A 25 12.290 -0.195 8.060 1.00 0.29 N ATOM 419 CA THR A 25 12.518 -1.628 8.020 1.00 0.31 C ATOM 420 C THR A 25 12.919 -2.081 6.612 1.00 0.30 C ATOM 421 O THR A 25 13.640 -3.067 6.440 1.00 0.33 O ATOM 422 CB THR A 25 11.239 -2.365 8.467 1.00 0.34 C ATOM 423 OG1 THR A 25 10.767 -1.809 9.704 1.00 0.36 O ATOM 424 CG2 THR A 25 11.500 -3.853 8.647 1.00 0.40 C ATOM 0 H THR A 25 11.331 0.076 8.280 1.00 0.29 H new ATOM 0 HA THR A 25 13.336 -1.869 8.699 1.00 0.31 H new ATOM 0 HB THR A 25 10.484 -2.238 7.692 1.00 0.34 H new ATOM 0 HG1 THR A 25 10.297 -0.968 9.526 1.00 0.36 H new ATOM 0 HG21 THR A 25 10.581 -4.348 8.962 1.00 0.40 H new ATOM 0 HG22 THR A 25 11.837 -4.280 7.702 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.269 -3.998 9.405 1.00 0.40 H new ATOM 432 N LEU A 26 12.454 -1.338 5.610 1.00 0.27 N ATOM 433 CA LEU A 26 12.875 -1.546 4.227 1.00 0.28 C ATOM 434 C LEU A 26 14.368 -1.256 4.085 1.00 0.31 C ATOM 435 O LEU A 26 15.012 -1.712 3.140 1.00 0.36 O ATOM 436 CB LEU A 26 12.082 -0.628 3.282 1.00 0.25 C ATOM 437 CG LEU A 26 10.905 -1.275 2.544 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.379 -2.462 1.737 1.00 0.32 C ATOM 439 CD2 LEU A 26 9.813 -1.702 3.507 1.00 0.26 C ATOM 0 H LEU A 26 11.781 -0.581 5.732 1.00 0.27 H new ATOM 0 HA LEU A 26 12.681 -2.585 3.959 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.703 0.215 3.860 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.770 -0.222 2.541 1.00 0.25 H new ATOM 0 HG LEU A 26 10.486 -0.528 1.869 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.532 -2.911 1.219 1.00 0.32 H new ATOM 0 HD12 LEU A 26 12.119 -2.134 1.007 1.00 0.32 H new ATOM 0 HD13 LEU A 26 11.829 -3.198 2.403 1.00 0.32 H new ATOM 0 HD21 LEU A 26 8.994 -2.157 2.950 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.216 -2.426 4.216 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.444 -0.831 4.048 1.00 0.26 H new ATOM 451 N ARG A 27 14.892 -0.501 5.056 1.00 0.32 N ATOM 452 CA ARG A 27 16.287 -0.062 5.090 1.00 0.40 C ATOM 453 C ARG A 27 16.529 0.995 4.022 1.00 0.39 C ATOM 454 O ARG A 27 17.658 1.236 3.599 1.00 0.46 O ATOM 455 CB ARG A 27 17.255 -1.233 4.908 1.00 0.51 C ATOM 456 CG ARG A 27 18.430 -1.189 5.869 1.00 0.78 C ATOM 457 CD ARG A 27 17.977 -1.464 7.294 1.00 0.90 C ATOM 458 NE ARG A 27 18.979 -1.067 8.282 1.00 1.76 N ATOM 459 CZ ARG A 27 19.235 -1.748 9.400 1.00 2.28 C ATOM 460 NH1 ARG A 27 18.651 -2.923 9.609 1.00 2.36 N ATOM 461 NH2 ARG A 27 20.100 -1.271 10.292 1.00 3.20 N ATOM 0 H ARG A 27 14.347 -0.173 5.854 1.00 0.32 H new ATOM 0 HA ARG A 27 16.476 0.370 6.073 1.00 0.40 H new ATOM 0 HB2 ARG A 27 16.714 -2.169 5.047 1.00 0.51 H new ATOM 0 HB3 ARG A 27 17.630 -1.231 3.885 1.00 0.51 H new ATOM 0 HG2 ARG A 27 19.176 -1.926 5.572 1.00 0.78 H new ATOM 0 HG3 ARG A 27 18.910 -0.212 5.818 1.00 0.78 H new ATOM 0 HD2 ARG A 27 17.048 -0.928 7.487 1.00 0.90 H new ATOM 0 HD3 ARG A 27 17.761 -2.527 7.406 1.00 0.90 H new ATOM 0 HE ARG A 27 19.515 -0.217 8.106 1.00 1.76 H new ATOM 0 HH11 ARG A 27 18.008 -3.303 8.915 1.00 2.36 H new ATOM 0 HH12 ARG A 27 18.846 -3.445 10.464 1.00 2.36 H new ATOM 0 HH21 ARG A 27 20.570 -0.382 10.122 1.00 3.20 H new ATOM 0 HH22 ARG A 27 20.293 -1.795 11.146 1.00 3.20 H new ATOM 475 N ILE A 28 15.450 1.637 3.613 1.00 0.33 N ATOM 476 CA ILE A 28 15.491 2.638 2.561 1.00 0.33 C ATOM 477 C ILE A 28 14.973 3.970 3.115 1.00 0.31 C ATOM 478 O ILE A 28 14.845 4.117 4.330 1.00 0.34 O ATOM 479 CB ILE A 28 14.669 2.149 1.341 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.907 0.644 1.158 1.00 0.44 C ATOM 481 CG2 ILE A 28 15.081 2.884 0.067 1.00 0.38 C ATOM 482 CD1 ILE A 28 14.117 0.009 0.040 1.00 0.48 C ATOM 0 H ILE A 28 14.520 1.480 4.001 1.00 0.33 H new ATOM 0 HA ILE A 28 16.515 2.793 2.220 1.00 0.33 H new ATOM 0 HB ILE A 28 13.614 2.352 1.525 1.00 0.36 H new ATOM 0 HG12 ILE A 28 15.968 0.478 0.973 1.00 0.44 H new ATOM 0 HG13 ILE A 28 14.662 0.136 2.091 1.00 0.44 H new ATOM 0 HG21 ILE A 28 14.487 2.520 -0.771 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.913 3.953 0.193 1.00 0.38 H new ATOM 0 HG23 ILE A 28 16.138 2.704 -0.131 1.00 0.38 H new ATOM 0 HD11 ILE A 28 14.351 -1.054 -0.012 1.00 0.48 H new ATOM 0 HD12 ILE A 28 13.051 0.137 0.229 1.00 0.48 H new ATOM 0 HD13 ILE A 28 14.377 0.485 -0.905 1.00 0.48 H new ATOM 494 N ARG A 29 14.692 4.937 2.252 1.00 0.32 N ATOM 495 CA ARG A 29 14.311 6.274 2.698 1.00 0.32 C ATOM 496 C ARG A 29 13.299 6.921 1.759 1.00 0.30 C ATOM 497 O ARG A 29 12.585 6.233 1.030 1.00 0.28 O ATOM 498 CB ARG A 29 15.569 7.144 2.838 1.00 0.40 C ATOM 499 CG ARG A 29 16.521 7.056 1.652 1.00 0.58 C ATOM 500 CD ARG A 29 15.916 7.655 0.398 1.00 0.64 C ATOM 501 NE ARG A 29 16.781 7.485 -0.767 1.00 0.92 N ATOM 502 CZ ARG A 29 16.882 8.368 -1.761 1.00 1.58 C ATOM 503 NH1 ARG A 29 16.159 9.482 -1.743 1.00 2.40 N ATOM 504 NH2 ARG A 29 17.701 8.135 -2.777 1.00 1.98 N ATOM 0 H ARG A 29 14.720 4.822 1.239 1.00 0.32 H new ATOM 0 HA ARG A 29 13.824 6.186 3.669 1.00 0.32 H new ATOM 0 HB2 ARG A 29 15.266 8.183 2.971 1.00 0.40 H new ATOM 0 HB3 ARG A 29 16.103 6.849 3.741 1.00 0.40 H new ATOM 0 HG2 ARG A 29 17.449 7.575 1.892 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.778 6.013 1.469 1.00 0.58 H new ATOM 0 HD2 ARG A 29 14.951 7.188 0.203 1.00 0.64 H new ATOM 0 HD3 ARG A 29 15.729 8.717 0.558 1.00 0.64 H new ATOM 0 HE ARG A 29 17.344 6.636 -0.824 1.00 0.92 H new ATOM 0 HH11 ARG A 29 15.523 9.665 -0.967 1.00 2.40 H new ATOM 0 HH12 ARG A 29 16.240 10.155 -2.506 1.00 2.40 H new ATOM 0 HH21 ARG A 29 18.255 7.279 -2.799 1.00 1.98 H new ATOM 0 HH22 ARG A 29 17.777 8.812 -3.536 1.00 1.98 H new ATOM 518 N GLU A 30 13.261 8.250 1.784 1.00 0.34 N ATOM 519 CA GLU A 30 12.345 9.046 0.967 1.00 0.36 C ATOM 520 C GLU A 30 12.752 9.051 -0.504 1.00 0.35 C ATOM 521 O GLU A 30 12.852 10.093 -1.154 1.00 0.44 O ATOM 522 CB GLU A 30 12.275 10.461 1.520 1.00 0.45 C ATOM 523 CG GLU A 30 11.354 10.564 2.718 1.00 0.50 C ATOM 524 CD GLU A 30 11.852 9.808 3.936 1.00 0.62 C ATOM 525 OE1 GLU A 30 11.527 8.611 4.073 1.00 1.08 O ATOM 526 OE2 GLU A 30 12.581 10.400 4.757 1.00 1.23 O ATOM 0 H GLU A 30 13.871 8.812 2.378 1.00 0.34 H new ATOM 0 HA GLU A 30 11.356 8.591 1.016 1.00 0.36 H new ATOM 0 HB2 GLU A 30 13.275 10.788 1.804 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.929 11.138 0.739 1.00 0.45 H new ATOM 0 HG2 GLU A 30 11.228 11.615 2.980 1.00 0.50 H new ATOM 0 HG3 GLU A 30 10.370 10.184 2.443 1.00 0.50 H new ATOM 533 N GLY A 31 13.008 7.853 -0.989 1.00 0.30 N ATOM 534 CA GLY A 31 13.302 7.607 -2.380 1.00 0.30 C ATOM 535 C GLY A 31 13.211 6.127 -2.670 1.00 0.30 C ATOM 536 O GLY A 31 13.838 5.617 -3.594 1.00 0.36 O ATOM 0 H GLY A 31 13.017 7.010 -0.415 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.602 8.154 -3.011 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.300 7.973 -2.620 1.00 0.30 H new ATOM 540 N ASP A 32 12.424 5.445 -1.844 1.00 0.28 N ATOM 541 CA ASP A 32 12.122 4.032 -2.024 1.00 0.31 C ATOM 542 C ASP A 32 10.916 3.887 -2.931 1.00 0.28 C ATOM 543 O ASP A 32 9.886 4.532 -2.720 1.00 0.31 O ATOM 544 CB ASP A 32 11.831 3.376 -0.669 1.00 0.38 C ATOM 545 CG ASP A 32 11.476 1.903 -0.776 1.00 0.43 C ATOM 546 OD1 ASP A 32 12.046 1.212 -1.647 1.00 1.07 O ATOM 547 OD2 ASP A 32 10.648 1.432 0.034 1.00 1.26 O ATOM 0 H ASP A 32 11.976 5.861 -1.027 1.00 0.28 H new ATOM 0 HA ASP A 32 12.982 3.538 -2.476 1.00 0.31 H new ATOM 0 HB2 ASP A 32 12.704 3.486 -0.025 1.00 0.38 H new ATOM 0 HB3 ASP A 32 11.010 3.906 -0.186 1.00 0.38 H new ATOM 552 N PRO A 33 11.040 3.088 -3.980 1.00 0.23 N ATOM 553 CA PRO A 33 9.936 2.788 -4.851 1.00 0.26 C ATOM 554 C PRO A 33 9.084 1.686 -4.271 1.00 0.47 C ATOM 555 O PRO A 33 9.550 0.895 -3.471 1.00 1.30 O ATOM 556 CB PRO A 33 10.589 2.320 -6.151 1.00 0.22 C ATOM 557 CG PRO A 33 12.062 2.226 -5.875 1.00 0.14 C ATOM 558 CD PRO A 33 12.253 2.388 -4.388 1.00 0.23 C ATOM 0 HA PRO A 33 9.282 3.648 -4.996 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.189 1.354 -6.461 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.389 3.022 -6.961 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.455 1.266 -6.210 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.605 3.000 -6.418 1.00 0.14 H new ATOM 0 HD2 PRO A 33 12.353 1.426 -3.886 1.00 0.23 H new ATOM 0 HD3 PRO A 33 13.149 2.963 -4.156 1.00 0.23 H new ATOM 566 N LEU A 34 7.830 1.655 -4.638 1.00 0.29 N ATOM 567 CA LEU A 34 6.995 0.552 -4.257 1.00 0.21 C ATOM 568 C LEU A 34 6.049 0.221 -5.388 1.00 0.22 C ATOM 569 O LEU A 34 5.621 1.089 -6.115 1.00 0.27 O ATOM 570 CB LEU A 34 6.211 0.861 -2.979 1.00 0.23 C ATOM 571 CG LEU A 34 7.011 1.564 -1.882 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.439 2.944 -1.604 1.00 0.38 C ATOM 573 CD2 LEU A 34 7.038 0.723 -0.614 1.00 0.38 C ATOM 0 H LEU A 34 7.370 2.375 -5.195 1.00 0.29 H new ATOM 0 HA LEU A 34 7.632 -0.308 -4.052 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.354 1.483 -3.238 1.00 0.23 H new ATOM 0 HB3 LEU A 34 5.817 -0.073 -2.578 1.00 0.23 H new ATOM 0 HG LEU A 34 8.037 1.685 -2.229 1.00 0.31 H new ATOM 0 HD11 LEU A 34 7.022 3.428 -0.820 1.00 0.38 H new ATOM 0 HD12 LEU A 34 6.482 3.545 -2.512 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.403 2.850 -1.280 1.00 0.38 H new ATOM 0 HD21 LEU A 34 7.612 1.241 0.154 1.00 0.38 H new ATOM 0 HD22 LEU A 34 6.019 0.565 -0.261 1.00 0.38 H new ATOM 0 HD23 LEU A 34 7.502 -0.240 -0.826 1.00 0.38 H new ATOM 585 N GLU A 35 5.699 -1.032 -5.472 1.00 0.20 N ATOM 586 CA GLU A 35 4.863 -1.518 -6.551 1.00 0.20 C ATOM 587 C GLU A 35 3.516 -1.835 -6.000 1.00 0.16 C ATOM 588 O GLU A 35 3.385 -2.775 -5.231 1.00 0.16 O ATOM 589 CB GLU A 35 5.445 -2.746 -7.249 1.00 0.22 C ATOM 590 CG GLU A 35 4.535 -3.299 -8.341 1.00 0.23 C ATOM 591 CD GLU A 35 5.203 -4.358 -9.195 1.00 0.34 C ATOM 592 OE1 GLU A 35 5.487 -5.457 -8.671 1.00 0.95 O ATOM 593 OE2 GLU A 35 5.417 -4.107 -10.398 1.00 1.12 O ATOM 0 H GLU A 35 5.980 -1.748 -4.802 1.00 0.20 H new ATOM 0 HA GLU A 35 4.801 -0.735 -7.307 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.410 -2.486 -7.685 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.629 -3.525 -6.509 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.642 -3.722 -7.881 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.206 -2.480 -8.980 1.00 0.23 H new ATOM 600 N ILE A 36 2.541 -1.037 -6.392 1.00 0.14 N ATOM 601 CA ILE A 36 1.189 -1.145 -5.899 1.00 0.11 C ATOM 602 C ILE A 36 0.436 -2.166 -6.728 1.00 0.10 C ATOM 603 O ILE A 36 0.164 -1.945 -7.912 1.00 0.14 O ATOM 604 CB ILE A 36 0.460 0.229 -5.973 1.00 0.12 C ATOM 605 CG1 ILE A 36 1.034 1.232 -4.965 1.00 0.15 C ATOM 606 CG2 ILE A 36 -1.036 0.074 -5.751 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.442 1.699 -5.264 1.00 0.39 C ATOM 0 H ILE A 36 2.672 -0.287 -7.071 1.00 0.14 H new ATOM 0 HA ILE A 36 1.220 -1.461 -4.856 1.00 0.11 H new ATOM 0 HB ILE A 36 0.627 0.619 -6.977 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.378 2.102 -4.926 1.00 0.15 H new ATOM 0 HG13 ILE A 36 1.020 0.778 -3.974 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.516 1.051 -5.809 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.452 -0.580 -6.517 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.215 -0.360 -4.767 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.762 2.405 -4.498 1.00 0.39 H new ATOM 0 HD12 ILE A 36 3.116 0.842 -5.272 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.464 2.187 -6.239 1.00 0.39 H new ATOM 619 N PHE A 37 0.150 -3.295 -6.119 1.00 0.09 N ATOM 620 CA PHE A 37 -0.606 -4.342 -6.768 1.00 0.10 C ATOM 621 C PHE A 37 -1.405 -5.107 -5.728 1.00 0.09 C ATOM 622 O PHE A 37 -0.862 -5.581 -4.740 1.00 0.09 O ATOM 623 CB PHE A 37 0.337 -5.255 -7.582 1.00 0.12 C ATOM 624 CG PHE A 37 0.716 -6.554 -6.917 1.00 0.16 C ATOM 625 CD1 PHE A 37 1.810 -6.626 -6.072 1.00 1.10 C ATOM 626 CD2 PHE A 37 -0.021 -7.705 -7.147 1.00 1.12 C ATOM 627 CE1 PHE A 37 2.158 -7.819 -5.468 1.00 1.15 C ATOM 628 CE2 PHE A 37 0.322 -8.899 -6.546 1.00 1.12 C ATOM 629 CZ PHE A 37 1.413 -8.955 -5.706 1.00 0.35 C ATOM 0 H PHE A 37 0.434 -3.513 -5.164 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.314 -3.910 -7.475 1.00 0.10 H new ATOM 0 HB2 PHE A 37 -0.139 -5.481 -8.536 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.249 -4.701 -7.804 1.00 0.12 H new ATOM 0 HD1 PHE A 37 2.398 -5.740 -5.883 1.00 1.10 H new ATOM 0 HD2 PHE A 37 -0.876 -7.667 -7.806 1.00 1.12 H new ATOM 0 HE1 PHE A 37 3.013 -7.862 -4.810 1.00 1.15 H new ATOM 0 HE2 PHE A 37 -0.263 -9.787 -6.733 1.00 1.12 H new ATOM 0 HZ PHE A 37 1.684 -9.888 -5.234 1.00 0.35 H new ATOM 639 N VAL A 38 -2.701 -5.187 -5.930 1.00 0.09 N ATOM 640 CA VAL A 38 -3.564 -5.880 -4.991 1.00 0.09 C ATOM 641 C VAL A 38 -3.511 -7.372 -5.223 1.00 0.11 C ATOM 642 O VAL A 38 -3.604 -7.847 -6.360 1.00 0.17 O ATOM 643 CB VAL A 38 -5.024 -5.368 -5.068 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.476 -5.242 -6.518 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.973 -6.280 -4.293 1.00 0.11 C ATOM 0 H VAL A 38 -3.183 -4.783 -6.733 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.195 -5.668 -3.988 1.00 0.09 H new ATOM 0 HB VAL A 38 -5.053 -4.381 -4.607 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.504 -4.881 -6.549 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.829 -4.538 -7.041 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.419 -6.217 -7.003 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.990 -5.894 -4.366 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.936 -7.285 -4.713 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.672 -6.313 -3.246 1.00 0.11 H new ATOM 655 N ASP A 39 -3.356 -8.085 -4.122 1.00 0.09 N ATOM 656 CA ASP A 39 -3.164 -9.521 -4.136 1.00 0.12 C ATOM 657 C ASP A 39 -4.480 -10.254 -4.282 1.00 0.16 C ATOM 658 O ASP A 39 -4.687 -11.021 -5.220 1.00 0.18 O ATOM 659 CB ASP A 39 -2.508 -9.973 -2.834 1.00 0.19 C ATOM 660 CG ASP A 39 -2.105 -11.433 -2.871 1.00 0.23 C ATOM 661 OD1 ASP A 39 -1.537 -11.874 -3.891 1.00 1.04 O ATOM 662 OD2 ASP A 39 -2.365 -12.148 -1.885 1.00 1.11 O ATOM 0 H ASP A 39 -3.360 -7.679 -3.186 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.527 -9.756 -4.989 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -1.628 -9.360 -2.641 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.198 -9.809 -2.006 1.00 0.19 H new ATOM 667 N ARG A 40 -5.372 -9.996 -3.345 1.00 0.32 N ATOM 668 CA ARG A 40 -6.547 -10.824 -3.173 1.00 0.43 C ATOM 669 C ARG A 40 -7.843 -10.023 -3.212 1.00 0.43 C ATOM 670 O ARG A 40 -8.326 -9.674 -4.290 1.00 0.49 O ATOM 671 CB ARG A 40 -6.407 -11.618 -1.878 1.00 0.53 C ATOM 672 CG ARG A 40 -5.520 -10.930 -0.863 1.00 0.53 C ATOM 673 CD ARG A 40 -4.735 -11.935 -0.044 1.00 0.72 C ATOM 674 NE ARG A 40 -5.587 -12.887 0.666 1.00 1.09 N ATOM 675 CZ ARG A 40 -5.119 -13.791 1.529 1.00 1.66 C ATOM 676 NH1 ARG A 40 -3.818 -13.842 1.801 1.00 2.22 N ATOM 677 NH2 ARG A 40 -5.948 -14.645 2.112 1.00 2.29 N ATOM 0 H ARG A 40 -5.304 -9.217 -2.690 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.610 -11.513 -4.015 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.395 -11.774 -1.444 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -5.998 -12.603 -2.103 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -4.831 -10.258 -1.375 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -6.130 -10.316 -0.201 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -4.059 -12.482 -0.702 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -4.116 -11.402 0.678 1.00 0.72 H new ATOM 0 HE ARG A 40 -6.592 -12.859 0.493 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -3.177 -13.190 1.350 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -3.462 -14.533 2.461 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -6.945 -14.612 1.901 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -5.589 -15.335 2.771 1.00 2.29 H new ATOM 691 N ASP A 41 -8.395 -9.718 -2.047 1.00 0.47 N ATOM 692 CA ASP A 41 -9.684 -9.034 -1.983 1.00 0.52 C ATOM 693 C ASP A 41 -9.504 -7.535 -2.118 1.00 0.43 C ATOM 694 O ASP A 41 -9.770 -6.954 -3.169 1.00 0.50 O ATOM 695 CB ASP A 41 -10.419 -9.354 -0.677 1.00 0.57 C ATOM 696 CG ASP A 41 -11.784 -8.692 -0.612 1.00 0.96 C ATOM 697 OD1 ASP A 41 -12.698 -9.141 -1.336 1.00 1.53 O ATOM 698 OD2 ASP A 41 -11.950 -7.726 0.161 1.00 1.34 O ATOM 0 H ASP A 41 -7.978 -9.929 -1.140 1.00 0.47 H new ATOM 0 HA ASP A 41 -10.288 -9.395 -2.816 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -10.535 -10.434 -0.582 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -9.816 -9.023 0.168 1.00 0.57 H new ATOM 703 N GLY A 42 -9.040 -6.919 -1.047 1.00 0.32 N ATOM 704 CA GLY A 42 -8.799 -5.498 -1.056 1.00 0.26 C ATOM 705 C GLY A 42 -7.474 -5.164 -0.426 1.00 0.18 C ATOM 706 O GLY A 42 -7.281 -4.070 0.094 1.00 0.18 O ATOM 0 H GLY A 42 -8.825 -7.383 -0.165 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.819 -5.130 -2.082 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.598 -4.988 -0.519 1.00 0.26 H new ATOM 710 N GLU A 43 -6.567 -6.129 -0.449 1.00 0.15 N ATOM 711 CA GLU A 43 -5.237 -5.933 0.093 1.00 0.12 C ATOM 712 C GLU A 43 -4.308 -5.494 -1.022 1.00 0.08 C ATOM 713 O GLU A 43 -4.012 -6.274 -1.926 1.00 0.09 O ATOM 714 CB GLU A 43 -4.702 -7.222 0.728 1.00 0.14 C ATOM 715 CG GLU A 43 -5.772 -8.082 1.381 1.00 0.53 C ATOM 716 CD GLU A 43 -5.250 -8.879 2.563 1.00 1.00 C ATOM 717 OE1 GLU A 43 -4.653 -9.951 2.345 1.00 1.97 O ATOM 718 OE2 GLU A 43 -5.440 -8.434 3.716 1.00 1.30 O ATOM 0 H GLU A 43 -6.731 -7.057 -0.839 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.286 -5.168 0.868 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -4.197 -7.809 -0.039 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -3.953 -6.962 1.476 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -6.591 -7.444 1.713 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -6.182 -8.768 0.640 1.00 0.53 H new ATOM 725 N VAL A 44 -3.885 -4.244 -0.980 1.00 0.07 N ATOM 726 CA VAL A 44 -2.962 -3.723 -1.965 1.00 0.07 C ATOM 727 C VAL A 44 -1.547 -3.934 -1.481 1.00 0.07 C ATOM 728 O VAL A 44 -1.211 -3.594 -0.359 1.00 0.08 O ATOM 729 CB VAL A 44 -3.152 -2.222 -2.237 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.708 -1.896 -3.653 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.594 -1.788 -2.000 1.00 0.12 C ATOM 0 H VAL A 44 -4.169 -3.570 -0.269 1.00 0.07 H new ATOM 0 HA VAL A 44 -3.159 -4.260 -2.893 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.532 -1.664 -1.536 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.845 -0.831 -3.841 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.656 -2.154 -3.773 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -3.305 -2.469 -4.362 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.691 -0.721 -2.202 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -5.255 -2.345 -2.664 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.868 -1.987 -0.964 1.00 0.12 H new ATOM 741 N ILE A 45 -0.724 -4.480 -2.329 1.00 0.08 N ATOM 742 CA ILE A 45 0.628 -4.820 -1.958 1.00 0.08 C ATOM 743 C ILE A 45 1.568 -3.863 -2.649 1.00 0.11 C ATOM 744 O ILE A 45 1.579 -3.797 -3.868 1.00 0.14 O ATOM 745 CB ILE A 45 0.983 -6.261 -2.370 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.254 -7.292 -1.497 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.490 -6.487 -2.293 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.250 -7.215 -1.517 1.00 0.08 C ATOM 0 H ILE A 45 -0.965 -4.703 -3.295 1.00 0.08 H new ATOM 0 HA ILE A 45 0.720 -4.748 -0.874 1.00 0.08 H new ATOM 0 HB ILE A 45 0.655 -6.396 -3.401 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.553 -8.290 -1.818 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.592 -7.174 -0.468 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.720 -7.511 -2.588 1.00 0.11 H new ATOM 0 HG22 ILE A 45 2.997 -5.794 -2.964 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.832 -6.318 -1.272 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.663 -7.987 -0.867 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.569 -6.235 -1.163 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.609 -7.368 -2.535 1.00 0.08 H new ATOM 760 N LEU A 46 2.303 -3.098 -1.873 1.00 0.11 N ATOM 761 CA LEU A 46 3.297 -2.178 -2.408 1.00 0.13 C ATOM 762 C LEU A 46 4.680 -2.702 -2.067 1.00 0.11 C ATOM 763 O LEU A 46 5.036 -2.761 -0.898 1.00 0.17 O ATOM 764 CB LEU A 46 3.120 -0.789 -1.776 1.00 0.20 C ATOM 765 CG LEU A 46 1.754 -0.540 -1.147 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.791 0.738 -0.336 1.00 0.19 C ATOM 767 CD2 LEU A 46 0.669 -0.466 -2.209 1.00 0.23 C ATOM 0 H LEU A 46 2.233 -3.092 -0.855 1.00 0.11 H new ATOM 0 HA LEU A 46 3.175 -2.100 -3.488 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.886 -0.653 -1.012 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.295 -0.033 -2.541 1.00 0.20 H new ATOM 0 HG LEU A 46 1.517 -1.375 -0.488 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.813 0.913 0.112 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.540 0.648 0.451 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.047 1.574 -0.986 1.00 0.19 H new ATOM 0 HD21 LEU A 46 -0.295 -0.288 -1.732 1.00 0.23 H new ATOM 0 HD22 LEU A 46 0.889 0.349 -2.898 1.00 0.23 H new ATOM 0 HD23 LEU A 46 0.633 -1.406 -2.759 1.00 0.23 H new ATOM 779 N LYS A 47 5.476 -3.075 -3.057 1.00 0.15 N ATOM 780 CA LYS A 47 6.812 -3.572 -2.737 1.00 0.27 C ATOM 781 C LYS A 47 7.900 -2.770 -3.434 1.00 0.16 C ATOM 782 O LYS A 47 7.698 -2.262 -4.519 1.00 0.15 O ATOM 783 CB LYS A 47 6.939 -5.079 -3.019 1.00 0.63 C ATOM 784 CG LYS A 47 7.595 -5.464 -4.341 1.00 0.29 C ATOM 785 CD LYS A 47 6.687 -5.256 -5.540 1.00 0.55 C ATOM 786 CE LYS A 47 5.339 -5.943 -5.370 1.00 0.69 C ATOM 787 NZ LYS A 47 5.023 -6.827 -6.523 1.00 0.76 N ATOM 0 H LYS A 47 5.239 -3.048 -4.049 1.00 0.15 H new ATOM 0 HA LYS A 47 6.957 -3.433 -1.666 1.00 0.27 H new ATOM 0 HB2 LYS A 47 7.510 -5.532 -2.209 1.00 0.63 H new ATOM 0 HB3 LYS A 47 5.942 -5.518 -2.991 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.503 -4.876 -4.474 1.00 0.29 H new ATOM 0 HG3 LYS A 47 7.897 -6.511 -4.299 1.00 0.29 H new ATOM 0 HD2 LYS A 47 6.531 -4.188 -5.694 1.00 0.55 H new ATOM 0 HD3 LYS A 47 7.177 -5.639 -6.435 1.00 0.55 H new ATOM 0 HE2 LYS A 47 5.343 -6.530 -4.452 1.00 0.69 H new ATOM 0 HE3 LYS A 47 4.558 -5.190 -5.264 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 4.045 -7.171 -6.439 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.127 -6.293 -7.409 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 5.675 -7.637 -6.528 1.00 0.76 H new ATOM 801 N LYS A 48 9.055 -2.732 -2.789 1.00 0.19 N ATOM 802 CA LYS A 48 10.188 -1.837 -3.103 1.00 0.15 C ATOM 803 C LYS A 48 10.540 -1.634 -4.590 1.00 0.14 C ATOM 804 O LYS A 48 11.298 -0.718 -4.909 1.00 0.17 O ATOM 805 CB LYS A 48 11.402 -2.370 -2.386 1.00 0.17 C ATOM 806 CG LYS A 48 11.400 -3.886 -2.333 1.00 0.19 C ATOM 807 CD LYS A 48 11.843 -4.401 -0.980 1.00 0.20 C ATOM 808 CE LYS A 48 13.303 -4.100 -0.707 1.00 0.21 C ATOM 809 NZ LYS A 48 13.787 -4.813 0.505 1.00 0.32 N ATOM 0 H LYS A 48 9.250 -3.345 -1.997 1.00 0.19 H new ATOM 0 HA LYS A 48 9.869 -0.848 -2.773 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.304 -2.024 -2.891 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.431 -1.970 -1.372 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.399 -4.256 -2.553 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.062 -4.278 -3.106 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.228 -3.949 -0.201 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.680 -5.478 -0.931 1.00 0.20 H new ATOM 0 HE2 LYS A 48 13.904 -4.394 -1.568 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.436 -3.026 -0.577 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 14.819 -4.931 0.449 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.547 -4.260 1.352 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 13.334 -5.747 0.562 1.00 0.32 H new ATOM 823 N TYR A 49 10.061 -2.501 -5.475 1.00 0.14 N ATOM 824 CA TYR A 49 10.229 -2.331 -6.928 1.00 0.16 C ATOM 825 C TYR A 49 11.664 -2.612 -7.384 1.00 0.17 C ATOM 826 O TYR A 49 11.886 -3.405 -8.296 1.00 0.24 O ATOM 827 CB TYR A 49 9.863 -0.921 -7.377 1.00 0.19 C ATOM 828 CG TYR A 49 10.174 -0.666 -8.841 1.00 0.24 C ATOM 829 CD1 TYR A 49 9.727 -1.537 -9.830 1.00 1.03 C ATOM 830 CD2 TYR A 49 10.926 0.435 -9.230 1.00 1.22 C ATOM 831 CE1 TYR A 49 10.019 -1.315 -11.161 1.00 1.01 C ATOM 832 CE2 TYR A 49 11.222 0.662 -10.560 1.00 1.28 C ATOM 833 CZ TYR A 49 10.765 -0.217 -11.521 1.00 0.40 C ATOM 834 OH TYR A 49 11.059 0.005 -12.849 1.00 0.49 O ATOM 0 H TYR A 49 9.546 -3.342 -5.215 1.00 0.14 H new ATOM 0 HA TYR A 49 9.555 -3.056 -7.385 1.00 0.16 H new ATOM 0 HB2 TYR A 49 8.800 -0.754 -7.203 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.404 -0.199 -6.765 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.142 -2.401 -9.552 1.00 1.03 H new ATOM 0 HD2 TYR A 49 11.285 1.125 -8.481 1.00 1.22 H new ATOM 0 HE1 TYR A 49 9.663 -2.000 -11.916 1.00 1.01 H new ATOM 0 HE2 TYR A 49 11.808 1.523 -10.846 1.00 1.28 H new ATOM 0 HH TYR A 49 11.592 0.823 -12.934 1.00 0.49 H new ATOM 844 N SER A 50 12.621 -1.932 -6.759 1.00 0.19 N ATOM 845 CA SER A 50 14.024 -2.016 -7.146 1.00 0.25 C ATOM 846 C SER A 50 14.524 -3.475 -7.175 1.00 0.28 C ATOM 847 O SER A 50 15.212 -3.865 -8.117 1.00 0.34 O ATOM 848 CB SER A 50 14.891 -1.109 -6.242 1.00 0.37 C ATOM 849 OG SER A 50 14.505 -1.186 -4.877 1.00 1.36 O ATOM 0 H SER A 50 12.445 -1.308 -5.971 1.00 0.19 H new ATOM 0 HA SER A 50 14.119 -1.646 -8.167 1.00 0.25 H new ATOM 0 HB2 SER A 50 15.938 -1.397 -6.339 1.00 0.37 H new ATOM 0 HB3 SER A 50 14.811 -0.077 -6.583 1.00 0.37 H new ATOM 0 HG SER A 50 15.079 -0.599 -4.341 1.00 1.36 H new ATOM 855 N PRO A 51 14.196 -4.305 -6.160 1.00 0.32 N ATOM 856 CA PRO A 51 14.401 -5.741 -6.213 1.00 0.42 C ATOM 857 C PRO A 51 13.102 -6.487 -6.496 1.00 0.45 C ATOM 858 O PRO A 51 12.980 -7.670 -6.189 1.00 0.58 O ATOM 859 CB PRO A 51 14.853 -6.043 -4.798 1.00 0.52 C ATOM 860 CG PRO A 51 14.135 -5.048 -3.944 1.00 0.46 C ATOM 861 CD PRO A 51 13.672 -3.929 -4.843 1.00 0.36 C ATOM 0 HA PRO A 51 15.096 -6.042 -6.997 1.00 0.42 H new ATOM 0 HB2 PRO A 51 14.601 -7.064 -4.512 1.00 0.52 H new ATOM 0 HB3 PRO A 51 15.934 -5.942 -4.698 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.286 -5.514 -3.444 1.00 0.46 H new ATOM 0 HG3 PRO A 51 14.794 -4.666 -3.164 1.00 0.46 H new ATOM 0 HD2 PRO A 51 12.585 -3.846 -4.853 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.062 -2.965 -4.517 1.00 0.36 H new ATOM 869 N ILE A 52 12.137 -5.772 -7.073 1.00 0.37 N ATOM 870 CA ILE A 52 10.802 -6.306 -7.354 1.00 0.46 C ATOM 871 C ILE A 52 10.259 -7.050 -6.133 1.00 0.61 C ATOM 872 O ILE A 52 10.541 -6.673 -4.991 1.00 0.61 O ATOM 873 CB ILE A 52 10.810 -7.247 -8.588 1.00 0.62 C ATOM 874 CG1 ILE A 52 12.089 -7.052 -9.413 1.00 0.51 C ATOM 875 CG2 ILE A 52 9.578 -6.984 -9.449 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.091 -7.798 -10.728 1.00 0.69 C ATOM 0 H ILE A 52 12.258 -4.801 -7.361 1.00 0.37 H new ATOM 0 HA ILE A 52 10.151 -5.461 -7.580 1.00 0.46 H new ATOM 0 HB ILE A 52 10.786 -8.279 -8.238 1.00 0.62 H new ATOM 0 HG12 ILE A 52 12.224 -5.988 -9.610 1.00 0.51 H new ATOM 0 HG13 ILE A 52 12.944 -7.377 -8.821 1.00 0.51 H new ATOM 0 HG21 ILE A 52 9.590 -7.648 -10.313 1.00 0.78 H new ATOM 0 HG22 ILE A 52 8.678 -7.168 -8.862 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.585 -5.948 -9.787 1.00 0.78 H new ATOM 0 HD11 ILE A 52 13.028 -7.609 -11.252 1.00 0.69 H new ATOM 0 HD12 ILE A 52 11.989 -8.867 -10.540 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.257 -7.456 -11.341 1.00 0.69 H new ATOM 888 N SER A 53 9.461 -8.079 -6.363 1.00 0.85 N ATOM 889 CA SER A 53 9.026 -8.935 -5.282 1.00 1.06 C ATOM 890 C SER A 53 10.065 -10.014 -5.019 1.00 1.29 C ATOM 891 O SER A 53 9.924 -11.143 -5.489 1.00 1.96 O ATOM 892 CB SER A 53 7.673 -9.575 -5.596 1.00 1.21 C ATOM 893 OG SER A 53 6.624 -8.639 -5.466 1.00 1.67 O ATOM 0 H SER A 53 9.105 -8.338 -7.283 1.00 0.85 H new ATOM 0 HA SER A 53 8.912 -8.321 -4.389 1.00 1.06 H new ATOM 0 HB2 SER A 53 7.683 -9.975 -6.610 1.00 1.21 H new ATOM 0 HB3 SER A 53 7.500 -10.415 -4.923 1.00 1.21 H new ATOM 0 HG SER A 53 6.295 -8.642 -4.543 1.00 1.67 H new ATOM 899 N GLU A 54 11.127 -9.640 -4.307 1.00 1.17 N ATOM 900 CA GLU A 54 12.190 -10.573 -3.944 1.00 1.35 C ATOM 901 C GLU A 54 12.944 -11.056 -5.189 1.00 1.52 C ATOM 902 O GLU A 54 12.665 -12.129 -5.731 1.00 2.38 O ATOM 903 CB GLU A 54 11.609 -11.754 -3.147 1.00 1.52 C ATOM 904 CG GLU A 54 12.623 -12.815 -2.753 1.00 1.95 C ATOM 905 CD GLU A 54 11.999 -13.948 -1.964 1.00 2.29 C ATOM 906 OE1 GLU A 54 11.045 -14.583 -2.467 1.00 2.47 O ATOM 907 OE2 GLU A 54 12.458 -14.213 -0.836 1.00 2.89 O ATOM 0 H GLU A 54 11.274 -8.689 -3.968 1.00 1.17 H new ATOM 0 HA GLU A 54 12.908 -10.054 -3.309 1.00 1.35 H new ATOM 0 HB2 GLU A 54 11.138 -11.368 -2.243 1.00 1.52 H new ATOM 0 HB3 GLU A 54 10.824 -12.224 -3.740 1.00 1.52 H new ATOM 0 HG2 GLU A 54 13.092 -13.217 -3.651 1.00 1.95 H new ATOM 0 HG3 GLU A 54 13.413 -12.355 -2.160 1.00 1.95 H new ATOM 914 N LEU A 55 13.877 -10.234 -5.658 1.00 1.27 N ATOM 915 CA LEU A 55 14.685 -10.572 -6.821 1.00 1.43 C ATOM 916 C LEU A 55 16.038 -11.104 -6.363 1.00 2.04 C ATOM 917 O LEU A 55 16.184 -12.340 -6.240 1.00 2.28 O ATOM 918 CB LEU A 55 14.870 -9.346 -7.726 1.00 1.60 C ATOM 919 CG LEU A 55 15.098 -9.643 -9.218 1.00 1.53 C ATOM 920 CD1 LEU A 55 16.474 -10.241 -9.466 1.00 2.27 C ATOM 921 CD2 LEU A 55 14.012 -10.571 -9.743 1.00 1.11 C ATOM 922 OXT LEU A 55 16.944 -10.284 -6.099 1.00 2.65 O ATOM 0 H LEU A 55 14.092 -9.325 -5.247 1.00 1.27 H new ATOM 0 HA LEU A 55 14.173 -11.343 -7.397 1.00 1.43 H new ATOM 0 HB2 LEU A 55 13.988 -8.712 -7.632 1.00 1.60 H new ATOM 0 HB3 LEU A 55 15.718 -8.770 -7.356 1.00 1.60 H new ATOM 0 HG LEU A 55 15.048 -8.697 -9.757 1.00 1.53 H new ATOM 0 HD11 LEU A 55 16.599 -10.437 -10.531 1.00 2.27 H new ATOM 0 HD12 LEU A 55 17.240 -9.541 -9.134 1.00 2.27 H new ATOM 0 HD13 LEU A 55 16.571 -11.174 -8.911 1.00 2.27 H new ATOM 0 HD21 LEU A 55 14.186 -10.773 -10.800 1.00 1.11 H new ATOM 0 HD22 LEU A 55 14.034 -11.508 -9.186 1.00 1.11 H new ATOM 0 HD23 LEU A 55 13.038 -10.098 -9.619 1.00 1.11 H new TER 934 LEU A 55 ATOM 935 N MET B 1 -4.503 -14.140 -8.793 1.00 3.94 N ATOM 936 CA MET B 1 -5.813 -13.588 -9.200 1.00 3.42 C ATOM 937 C MET B 1 -5.684 -12.133 -9.641 1.00 2.74 C ATOM 938 O MET B 1 -6.004 -11.792 -10.780 1.00 3.34 O ATOM 939 CB MET B 1 -6.817 -13.687 -8.046 1.00 3.88 C ATOM 940 CG MET B 1 -8.190 -13.127 -8.388 1.00 4.32 C ATOM 941 SD MET B 1 -9.329 -13.163 -6.989 1.00 5.25 S ATOM 942 CE MET B 1 -10.780 -12.398 -7.716 1.00 6.17 C ATOM 0 H1 MET B 1 -4.620 -15.130 -8.498 1.00 3.94 H new ATOM 0 H2 MET B 1 -3.842 -14.093 -9.595 1.00 3.94 H new ATOM 0 H3 MET B 1 -4.124 -13.585 -7.999 1.00 3.94 H new ATOM 0 HA MET B 1 -6.173 -14.177 -10.044 1.00 3.42 H new ATOM 0 HB2 MET B 1 -6.922 -14.732 -7.754 1.00 3.88 H new ATOM 0 HB3 MET B 1 -6.420 -13.153 -7.182 1.00 3.88 H new ATOM 0 HG2 MET B 1 -8.082 -12.100 -8.736 1.00 4.32 H new ATOM 0 HG3 MET B 1 -8.616 -13.700 -9.212 1.00 4.32 H new ATOM 0 HE1 MET B 1 -11.576 -12.348 -6.973 1.00 6.17 H new ATOM 0 HE2 MET B 1 -10.531 -11.391 -8.050 1.00 6.17 H new ATOM 0 HE3 MET B 1 -11.116 -12.990 -8.567 1.00 6.17 H new ATOM 954 N LYS B 2 -5.211 -11.278 -8.741 1.00 1.78 N ATOM 955 CA LYS B 2 -5.116 -9.856 -9.027 1.00 1.13 C ATOM 956 C LYS B 2 -3.665 -9.412 -9.166 1.00 0.88 C ATOM 957 O LYS B 2 -2.773 -10.253 -9.293 1.00 1.16 O ATOM 958 CB LYS B 2 -5.829 -9.033 -7.949 1.00 0.55 C ATOM 959 CG LYS B 2 -7.347 -9.086 -8.049 1.00 1.01 C ATOM 960 CD LYS B 2 -7.840 -8.520 -9.377 1.00 1.83 C ATOM 961 CE LYS B 2 -7.504 -7.041 -9.523 1.00 2.68 C ATOM 962 NZ LYS B 2 -7.950 -6.492 -10.831 1.00 3.61 N ATOM 0 H LYS B 2 -4.889 -11.546 -7.811 1.00 1.78 H new ATOM 0 HA LYS B 2 -5.613 -9.679 -9.981 1.00 1.13 H new ATOM 0 HB2 LYS B 2 -5.525 -9.394 -6.967 1.00 0.55 H new ATOM 0 HB3 LYS B 2 -5.504 -7.995 -8.021 1.00 0.55 H new ATOM 0 HG2 LYS B 2 -7.684 -10.117 -7.944 1.00 1.01 H new ATOM 0 HG3 LYS B 2 -7.787 -8.522 -7.226 1.00 1.01 H new ATOM 0 HD2 LYS B 2 -7.390 -9.077 -10.199 1.00 1.83 H new ATOM 0 HD3 LYS B 2 -8.919 -8.657 -9.452 1.00 1.83 H new ATOM 0 HE2 LYS B 2 -7.976 -6.481 -8.716 1.00 2.68 H new ATOM 0 HE3 LYS B 2 -6.428 -6.902 -9.420 1.00 2.68 H new ATOM 0 HZ1 LYS B 2 -7.701 -5.484 -10.887 1.00 3.61 H new ATOM 0 HZ2 LYS B 2 -7.481 -7.008 -11.602 1.00 3.61 H new ATOM 0 HZ3 LYS B 2 -8.981 -6.600 -10.919 1.00 3.61 H new ATOM 976 N ALA B 3 -3.459 -8.090 -9.050 1.00 0.51 N ATOM 977 CA ALA B 3 -2.238 -7.382 -9.468 1.00 0.33 C ATOM 978 C ALA B 3 -2.626 -6.088 -10.166 1.00 0.42 C ATOM 979 O ALA B 3 -3.758 -5.943 -10.623 1.00 0.86 O ATOM 980 CB ALA B 3 -1.367 -8.194 -10.423 1.00 0.48 C ATOM 0 H ALA B 3 -4.159 -7.465 -8.650 1.00 0.51 H new ATOM 0 HA ALA B 3 -1.657 -7.199 -8.564 1.00 0.33 H new ATOM 0 HB1 ALA B 3 -0.484 -7.614 -10.692 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -1.059 -9.120 -9.937 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -1.935 -8.428 -11.323 1.00 0.48 H new ATOM 986 N THR B 4 -1.683 -5.161 -10.233 1.00 0.24 N ATOM 987 CA THR B 4 -1.847 -3.916 -10.975 1.00 0.26 C ATOM 988 C THR B 4 -0.484 -3.410 -11.430 1.00 0.30 C ATOM 989 O THR B 4 -0.296 -3.032 -12.585 1.00 0.43 O ATOM 990 CB THR B 4 -2.556 -2.825 -10.146 1.00 0.26 C ATOM 991 OG1 THR B 4 -2.117 -2.876 -8.785 1.00 0.27 O ATOM 992 CG2 THR B 4 -4.070 -2.972 -10.193 1.00 0.26 C ATOM 0 H THR B 4 -0.777 -5.250 -9.773 1.00 0.24 H new ATOM 0 HA THR B 4 -2.479 -4.130 -11.837 1.00 0.26 H new ATOM 0 HB THR B 4 -2.294 -1.862 -10.585 1.00 0.26 H new ATOM 0 HG1 THR B 4 -1.435 -2.188 -8.635 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.531 -2.184 -9.597 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.411 -2.892 -11.225 1.00 0.26 H new ATOM 0 HG23 THR B 4 -4.354 -3.945 -9.791 1.00 0.26 H new ATOM 1000 N GLY B 5 0.449 -3.397 -10.492 1.00 0.23 N ATOM 1001 CA GLY B 5 1.839 -3.122 -10.810 1.00 0.25 C ATOM 1002 C GLY B 5 2.095 -1.670 -11.150 1.00 0.26 C ATOM 1003 O GLY B 5 2.640 -1.355 -12.208 1.00 0.33 O ATOM 0 H GLY B 5 0.268 -3.574 -9.504 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.462 -3.406 -9.962 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.143 -3.745 -11.651 1.00 0.25 H new ATOM 1007 N ILE B 6 1.679 -0.782 -10.270 1.00 0.21 N ATOM 1008 CA ILE B 6 2.018 0.623 -10.397 1.00 0.22 C ATOM 1009 C ILE B 6 3.015 0.995 -9.311 1.00 0.19 C ATOM 1010 O ILE B 6 2.690 0.972 -8.131 1.00 0.16 O ATOM 1011 CB ILE B 6 0.762 1.537 -10.328 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.148 2.994 -10.040 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.228 1.029 -9.289 1.00 0.21 C ATOM 1014 CD1 ILE B 6 2.012 3.632 -11.108 1.00 0.30 C ATOM 0 H ILE B 6 1.105 -1.008 -9.458 1.00 0.21 H new ATOM 0 HA ILE B 6 2.465 0.781 -11.378 1.00 0.22 H new ATOM 0 HB ILE B 6 0.278 1.504 -11.304 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.238 3.583 -9.925 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.677 3.036 -9.088 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -1.097 1.687 -9.262 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.545 0.020 -9.552 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.248 1.016 -8.309 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.239 4.660 -10.826 1.00 0.30 H new ATOM 0 HD12 ILE B 6 2.941 3.070 -11.208 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.479 3.625 -12.059 1.00 0.30 H new ATOM 1026 N VAL B 7 4.236 1.299 -9.709 1.00 0.24 N ATOM 1027 CA VAL B 7 5.269 1.658 -8.757 1.00 0.22 C ATOM 1028 C VAL B 7 5.193 3.143 -8.401 1.00 0.24 C ATOM 1029 O VAL B 7 5.021 3.995 -9.273 1.00 0.27 O ATOM 1030 CB VAL B 7 6.679 1.290 -9.266 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.756 1.966 -8.426 1.00 0.24 C ATOM 1032 CG2 VAL B 7 6.853 -0.222 -9.243 1.00 0.23 C ATOM 0 H VAL B 7 4.536 1.304 -10.684 1.00 0.24 H new ATOM 0 HA VAL B 7 5.088 1.076 -7.853 1.00 0.22 H new ATOM 0 HB VAL B 7 6.785 1.646 -10.291 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.740 1.690 -8.805 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.636 3.048 -8.482 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.664 1.644 -7.389 1.00 0.24 H new ATOM 0 HG21 VAL B 7 7.849 -0.479 -9.603 1.00 0.23 H new ATOM 0 HG22 VAL B 7 6.730 -0.587 -8.223 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.104 -0.684 -9.886 1.00 0.23 H new ATOM 1042 N ARG B 8 5.321 3.443 -7.112 1.00 0.23 N ATOM 1043 CA ARG B 8 5.246 4.790 -6.589 1.00 0.25 C ATOM 1044 C ARG B 8 6.469 5.011 -5.700 1.00 0.23 C ATOM 1045 O ARG B 8 6.628 4.331 -4.690 1.00 0.26 O ATOM 1046 CB ARG B 8 3.933 4.951 -5.779 1.00 0.29 C ATOM 1047 CG ARG B 8 3.990 5.905 -4.573 1.00 0.27 C ATOM 1048 CD ARG B 8 4.476 7.281 -4.965 1.00 0.24 C ATOM 1049 NE ARG B 8 4.175 8.306 -3.977 1.00 0.99 N ATOM 1050 CZ ARG B 8 3.903 9.571 -4.299 1.00 0.92 C ATOM 1051 NH1 ARG B 8 3.809 9.937 -5.573 1.00 0.53 N ATOM 1052 NH2 ARG B 8 3.734 10.476 -3.347 1.00 1.69 N ATOM 0 H ARG B 8 5.483 2.738 -6.393 1.00 0.23 H new ATOM 0 HA ARG B 8 5.240 5.528 -7.391 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.154 5.301 -6.456 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.627 3.967 -5.423 1.00 0.29 H new ATOM 0 HG2 ARG B 8 2.999 5.984 -4.125 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.651 5.490 -3.812 1.00 0.27 H new ATOM 0 HD2 ARG B 8 5.554 7.246 -5.123 1.00 0.24 H new ATOM 0 HD3 ARG B 8 4.023 7.560 -5.916 1.00 0.24 H new ATOM 0 HE ARG B 8 4.172 8.044 -2.991 1.00 0.99 H new ATOM 0 HH11 ARG B 8 3.945 9.248 -6.313 1.00 0.53 H new ATOM 0 HH12 ARG B 8 3.601 10.907 -5.811 1.00 0.53 H new ATOM 0 HH21 ARG B 8 3.812 10.206 -2.367 1.00 1.69 H new ATOM 0 HH22 ARG B 8 3.526 11.443 -3.594 1.00 1.69 H new ATOM 1066 N ARG B 9 7.355 5.914 -6.091 1.00 0.20 N ATOM 1067 CA ARG B 9 8.473 6.272 -5.233 1.00 0.19 C ATOM 1068 C ARG B 9 7.974 7.262 -4.208 1.00 0.20 C ATOM 1069 O ARG B 9 7.785 8.424 -4.547 1.00 0.21 O ATOM 1070 CB ARG B 9 9.616 6.896 -6.030 1.00 0.18 C ATOM 1071 CG ARG B 9 10.968 6.768 -5.357 1.00 0.24 C ATOM 1072 CD ARG B 9 11.850 5.772 -6.087 1.00 0.62 C ATOM 1073 NE ARG B 9 11.940 6.077 -7.512 1.00 1.35 N ATOM 1074 CZ ARG B 9 13.047 5.966 -8.243 1.00 1.74 C ATOM 1075 NH1 ARG B 9 14.187 5.559 -7.700 1.00 1.51 N ATOM 1076 NH2 ARG B 9 13.003 6.265 -9.534 1.00 2.71 N ATOM 0 H ARG B 9 7.323 6.406 -6.984 1.00 0.20 H new ATOM 0 HA ARG B 9 8.859 5.371 -4.756 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.662 6.425 -7.012 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.400 7.952 -6.193 1.00 0.18 H new ATOM 0 HG2 ARG B 9 11.458 7.741 -5.331 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.834 6.450 -4.323 1.00 0.24 H new ATOM 0 HD2 ARG B 9 12.848 5.780 -5.649 1.00 0.62 H new ATOM 0 HD3 ARG B 9 11.451 4.766 -5.954 1.00 0.62 H new ATOM 0 HE ARG B 9 11.093 6.398 -7.981 1.00 1.35 H new ATOM 0 HH11 ARG B 9 14.225 5.325 -6.708 1.00 1.51 H new ATOM 0 HH12 ARG B 9 15.026 5.480 -8.275 1.00 1.51 H new ATOM 0 HH21 ARG B 9 12.128 6.576 -9.956 1.00 2.71 H new ATOM 0 HH22 ARG B 9 13.844 6.184 -10.105 1.00 2.71 H new ATOM 1090 N ILE B 10 7.762 6.762 -2.982 1.00 0.22 N ATOM 1091 CA ILE B 10 7.208 7.526 -1.841 1.00 0.25 C ATOM 1092 C ILE B 10 7.180 9.050 -2.047 1.00 0.30 C ATOM 1093 O ILE B 10 6.322 9.541 -2.763 1.00 0.34 O ATOM 1094 CB ILE B 10 7.943 7.171 -0.520 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.436 6.836 -0.755 1.00 0.22 C ATOM 1096 CG2 ILE B 10 7.236 5.997 0.126 1.00 0.21 C ATOM 1097 CD1 ILE B 10 10.149 7.771 -1.702 1.00 0.23 C ATOM 0 H ILE B 10 7.974 5.793 -2.745 1.00 0.22 H new ATOM 0 HA ILE B 10 6.165 7.216 -1.773 1.00 0.25 H new ATOM 0 HB ILE B 10 7.915 8.040 0.137 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.953 6.848 0.205 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.510 5.820 -1.144 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.741 5.735 1.056 1.00 0.21 H new ATOM 0 HG22 ILE B 10 6.202 6.267 0.338 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.256 5.143 -0.551 1.00 0.21 H new ATOM 0 HD11 ILE B 10 11.188 7.460 -1.806 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.662 7.743 -2.677 1.00 0.23 H new ATOM 0 HD13 ILE B 10 10.112 8.786 -1.307 1.00 0.23 H new ATOM 1109 N ASP B 11 8.087 9.771 -1.386 1.00 0.32 N ATOM 1110 CA ASP B 11 8.317 11.201 -1.594 1.00 0.39 C ATOM 1111 C ASP B 11 8.955 11.763 -0.348 1.00 0.40 C ATOM 1112 O ASP B 11 9.495 11.014 0.455 1.00 0.42 O ATOM 1113 CB ASP B 11 7.056 12.025 -1.967 1.00 0.43 C ATOM 1114 CG ASP B 11 5.901 11.949 -0.977 1.00 0.33 C ATOM 1115 OD1 ASP B 11 6.114 11.587 0.191 1.00 1.08 O ATOM 1116 OD2 ASP B 11 4.761 12.273 -1.374 1.00 1.18 O ATOM 0 H ASP B 11 8.696 9.367 -0.675 1.00 0.32 H new ATOM 0 HA ASP B 11 8.970 11.289 -2.463 1.00 0.39 H new ATOM 0 HB2 ASP B 11 7.347 13.070 -2.078 1.00 0.43 H new ATOM 0 HB3 ASP B 11 6.699 11.688 -2.940 1.00 0.43 H new ATOM 1121 N ASP B 12 8.881 13.070 -0.184 1.00 0.44 N ATOM 1122 CA ASP B 12 9.516 13.739 0.941 1.00 0.47 C ATOM 1123 C ASP B 12 8.767 13.442 2.242 1.00 0.43 C ATOM 1124 O ASP B 12 9.233 13.772 3.334 1.00 0.63 O ATOM 1125 CB ASP B 12 9.561 15.246 0.672 1.00 0.58 C ATOM 1126 CG ASP B 12 10.389 16.009 1.683 1.00 1.42 C ATOM 1127 OD1 ASP B 12 11.634 15.937 1.613 1.00 1.78 O ATOM 1128 OD2 ASP B 12 9.798 16.715 2.525 1.00 2.39 O ATOM 0 H ASP B 12 8.385 13.695 -0.819 1.00 0.44 H new ATOM 0 HA ASP B 12 10.533 13.364 1.053 1.00 0.47 H new ATOM 0 HB2 ASP B 12 9.967 15.418 -0.325 1.00 0.58 H new ATOM 0 HB3 ASP B 12 8.544 15.639 0.674 1.00 0.58 H new ATOM 1133 N LEU B 13 7.612 12.800 2.123 1.00 0.34 N ATOM 1134 CA LEU B 13 6.802 12.462 3.279 1.00 0.28 C ATOM 1135 C LEU B 13 6.727 10.944 3.438 1.00 0.23 C ATOM 1136 O LEU B 13 7.107 10.405 4.482 1.00 0.25 O ATOM 1137 CB LEU B 13 5.400 13.072 3.135 1.00 0.27 C ATOM 1138 CG LEU B 13 4.579 13.170 4.426 1.00 0.29 C ATOM 1139 CD1 LEU B 13 4.133 11.796 4.902 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.379 13.878 5.508 1.00 0.40 C ATOM 0 H LEU B 13 7.216 12.503 1.231 1.00 0.34 H new ATOM 0 HA LEU B 13 7.263 12.876 4.176 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.501 14.072 2.714 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.838 12.478 2.414 1.00 0.27 H new ATOM 0 HG LEU B 13 3.684 13.754 4.213 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.553 11.899 5.819 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.517 11.327 4.134 1.00 0.32 H new ATOM 0 HD13 LEU B 13 5.008 11.176 5.094 1.00 0.32 H new ATOM 0 HD21 LEU B 13 4.783 13.940 6.419 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.293 13.319 5.709 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.635 14.883 5.172 1.00 0.40 H new ATOM 1152 N GLY B 14 6.239 10.259 2.409 1.00 0.21 N ATOM 1153 CA GLY B 14 6.140 8.822 2.465 1.00 0.18 C ATOM 1154 C GLY B 14 4.797 8.282 2.004 1.00 0.17 C ATOM 1155 O GLY B 14 4.472 7.135 2.286 1.00 0.20 O ATOM 0 H GLY B 14 5.911 10.679 1.539 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.927 8.389 1.848 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.321 8.494 3.489 1.00 0.18 H new ATOM 1159 N ARG B 15 4.002 9.071 1.287 1.00 0.18 N ATOM 1160 CA ARG B 15 2.704 8.562 0.856 1.00 0.20 C ATOM 1161 C ARG B 15 2.842 7.711 -0.380 1.00 0.18 C ATOM 1162 O ARG B 15 3.720 7.923 -1.219 1.00 0.20 O ATOM 1163 CB ARG B 15 1.668 9.637 0.533 1.00 0.29 C ATOM 1164 CG ARG B 15 1.690 10.843 1.423 1.00 0.24 C ATOM 1165 CD ARG B 15 2.548 11.901 0.786 1.00 0.42 C ATOM 1166 NE ARG B 15 2.228 13.236 1.283 1.00 0.52 N ATOM 1167 CZ ARG B 15 2.858 14.351 0.918 1.00 0.51 C ATOM 1168 NH1 ARG B 15 3.848 14.311 0.037 1.00 0.87 N ATOM 1169 NH2 ARG B 15 2.489 15.514 1.433 1.00 0.90 N ATOM 0 H ARG B 15 4.220 10.026 1.002 1.00 0.18 H new ATOM 0 HA ARG B 15 2.351 7.993 1.716 1.00 0.20 H new ATOM 0 HB2 ARG B 15 1.818 9.964 -0.496 1.00 0.29 H new ATOM 0 HB3 ARG B 15 0.676 9.188 0.584 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.678 11.219 1.574 1.00 0.24 H new ATOM 0 HG3 ARG B 15 2.083 10.580 2.405 1.00 0.24 H new ATOM 0 HD2 ARG B 15 3.598 11.683 0.982 1.00 0.42 H new ATOM 0 HD3 ARG B 15 2.413 11.875 -0.295 1.00 0.42 H new ATOM 0 HE ARG B 15 1.468 13.321 1.958 1.00 0.52 H new ATOM 0 HH11 ARG B 15 4.134 13.420 -0.369 1.00 0.87 H new ATOM 0 HH12 ARG B 15 4.323 15.171 -0.235 1.00 0.87 H new ATOM 0 HH21 ARG B 15 1.724 15.554 2.107 1.00 0.90 H new ATOM 0 HH22 ARG B 15 2.969 16.370 1.156 1.00 0.90 H new ATOM 1183 N VAL B 16 1.944 6.771 -0.488 1.00 0.18 N ATOM 1184 CA VAL B 16 1.790 5.980 -1.675 1.00 0.19 C ATOM 1185 C VAL B 16 0.504 6.399 -2.336 1.00 0.17 C ATOM 1186 O VAL B 16 -0.579 6.029 -1.892 1.00 0.20 O ATOM 1187 CB VAL B 16 1.735 4.483 -1.345 1.00 0.27 C ATOM 1188 CG1 VAL B 16 1.489 3.665 -2.595 1.00 1.15 C ATOM 1189 CG2 VAL B 16 3.013 4.053 -0.654 1.00 1.27 C ATOM 0 H VAL B 16 1.290 6.530 0.257 1.00 0.18 H new ATOM 0 HA VAL B 16 2.644 6.140 -2.333 1.00 0.19 H new ATOM 0 HB VAL B 16 0.901 4.306 -0.665 1.00 0.27 H new ATOM 0 HG11 VAL B 16 1.454 2.607 -2.336 1.00 1.15 H new ATOM 0 HG12 VAL B 16 0.540 3.961 -3.042 1.00 1.15 H new ATOM 0 HG13 VAL B 16 2.296 3.838 -3.307 1.00 1.15 H new ATOM 0 HG21 VAL B 16 2.962 2.989 -0.425 1.00 1.27 H new ATOM 0 HG22 VAL B 16 3.863 4.243 -1.310 1.00 1.27 H new ATOM 0 HG23 VAL B 16 3.135 4.618 0.270 1.00 1.27 H new ATOM 1199 N VAL B 17 0.625 7.214 -3.356 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.540 7.769 -4.001 1.00 0.19 C ATOM 1201 C VAL B 17 -1.281 6.673 -4.749 1.00 0.19 C ATOM 1202 O VAL B 17 -0.842 6.232 -5.808 1.00 0.22 O ATOM 1203 CB VAL B 17 -0.170 8.901 -4.970 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -1.420 9.554 -5.529 1.00 0.27 C ATOM 1205 CG2 VAL B 17 0.732 9.919 -4.286 1.00 0.25 C ATOM 0 H VAL B 17 1.516 7.507 -3.756 1.00 0.18 H new ATOM 0 HA VAL B 17 -1.182 8.191 -3.227 1.00 0.19 H new ATOM 0 HB VAL B 17 0.385 8.476 -5.806 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -1.138 10.354 -6.214 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -2.011 8.810 -6.064 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -2.011 9.968 -4.712 1.00 0.27 H new ATOM 0 HG21 VAL B 17 0.983 10.713 -4.989 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.214 10.345 -3.427 1.00 0.25 H new ATOM 0 HG23 VAL B 17 1.646 9.428 -3.951 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.378 6.215 -4.170 1.00 0.19 N ATOM 1216 CA ILE B 18 -3.152 5.140 -4.750 1.00 0.20 C ATOM 1217 C ILE B 18 -4.254 5.686 -5.654 1.00 0.18 C ATOM 1218 O ILE B 18 -5.178 6.372 -5.203 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.745 4.209 -3.657 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.669 3.235 -3.167 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -4.964 3.452 -4.171 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -3.194 2.157 -2.239 1.00 0.82 C ATOM 0 H ILE B 18 -2.752 6.577 -3.292 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.475 4.542 -5.360 1.00 0.20 H new ATOM 0 HB ILE B 18 -4.075 4.827 -2.822 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -2.201 2.762 -4.030 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -1.891 3.798 -2.651 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -5.354 2.810 -3.381 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.733 4.163 -4.473 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.678 2.841 -5.027 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -2.373 1.507 -1.935 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -3.636 2.620 -1.357 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -3.951 1.568 -2.757 1.00 0.82 H new ATOM 1234 N PRO B 19 -4.121 5.437 -6.964 1.00 0.21 N ATOM 1235 CA PRO B 19 -5.162 5.725 -7.946 1.00 0.23 C ATOM 1236 C PRO B 19 -6.518 5.194 -7.525 1.00 0.21 C ATOM 1237 O PRO B 19 -6.636 4.110 -6.947 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.672 4.983 -9.181 1.00 0.28 C ATOM 1239 CG PRO B 19 -3.198 5.061 -9.072 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.910 4.890 -7.607 1.00 0.27 C ATOM 0 HA PRO B 19 -5.307 6.796 -8.090 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -5.019 3.950 -9.192 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -5.031 5.450 -10.098 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.716 4.282 -9.663 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.825 6.017 -9.439 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.752 3.843 -7.346 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -2.013 5.432 -7.306 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.542 5.957 -7.837 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.904 5.583 -7.512 1.00 0.23 C ATOM 1250 C LYS B 20 -9.301 4.284 -8.196 1.00 0.21 C ATOM 1251 O LYS B 20 -10.286 3.686 -7.823 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.903 6.688 -7.867 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.847 7.141 -9.317 1.00 0.39 C ATOM 1254 CD LYS B 20 -8.630 8.000 -9.575 1.00 0.53 C ATOM 1255 CE LYS B 20 -8.690 9.310 -8.807 1.00 0.90 C ATOM 1256 NZ LYS B 20 -7.427 10.083 -8.938 1.00 1.77 N ATOM 0 H LYS B 20 -7.457 6.851 -8.321 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.935 5.433 -6.433 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.911 6.335 -7.648 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -9.720 7.548 -7.223 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.826 6.270 -9.972 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.749 7.702 -9.561 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -7.732 7.452 -9.290 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -8.551 8.208 -10.642 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -9.523 9.909 -9.174 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -8.884 9.106 -7.754 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -7.506 10.970 -8.401 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -6.636 9.521 -8.564 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -7.255 10.299 -9.941 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.532 3.849 -9.191 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.826 2.606 -9.906 1.00 0.20 C ATOM 1272 C GLU B 21 -8.744 1.379 -8.989 1.00 0.20 C ATOM 1273 O GLU B 21 -9.400 0.359 -9.239 1.00 0.20 O ATOM 1274 CB GLU B 21 -7.891 2.447 -11.104 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.419 2.466 -10.746 1.00 0.47 C ATOM 1276 CD GLU B 21 -5.535 2.619 -11.963 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -5.340 3.769 -12.413 1.00 1.53 O ATOM 1278 OE2 GLU B 21 -5.047 1.599 -12.486 1.00 1.92 O ATOM 0 H GLU B 21 -7.700 4.338 -9.522 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.853 2.671 -10.264 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -8.119 1.508 -11.608 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -8.091 3.247 -11.816 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -6.226 3.286 -10.054 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -6.162 1.543 -10.226 1.00 0.47 H new ATOM 1285 N ILE B 22 -8.006 1.493 -7.889 1.00 0.22 N ATOM 1286 CA ILE B 22 -7.867 0.371 -6.976 1.00 0.25 C ATOM 1287 C ILE B 22 -9.020 0.406 -5.985 1.00 0.24 C ATOM 1288 O ILE B 22 -9.703 -0.590 -5.777 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.517 0.375 -6.217 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.346 0.302 -7.198 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.452 -0.789 -5.237 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.868 1.648 -7.694 1.00 0.25 C ATOM 0 H ILE B 22 -7.504 2.337 -7.614 1.00 0.22 H new ATOM 0 HA ILE B 22 -7.888 -0.545 -7.566 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.444 1.308 -5.658 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.514 -0.211 -6.716 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.641 -0.304 -8.054 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.497 -0.770 -4.713 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.264 -0.702 -4.515 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.549 -1.729 -5.781 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -4.036 1.507 -8.384 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.684 2.157 -8.207 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.539 2.252 -6.848 1.00 0.25 H new ATOM 1304 N ARG B 23 -9.251 1.589 -5.421 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.402 1.848 -4.557 1.00 0.23 C ATOM 1306 C ARG B 23 -11.686 1.602 -5.342 1.00 0.22 C ATOM 1307 O ARG B 23 -12.726 1.247 -4.789 1.00 0.23 O ATOM 1308 CB ARG B 23 -10.289 3.294 -4.017 1.00 0.26 C ATOM 1309 CG ARG B 23 -11.562 4.138 -4.036 1.00 0.50 C ATOM 1310 CD ARG B 23 -11.890 4.645 -5.430 1.00 0.35 C ATOM 1311 NE ARG B 23 -12.346 6.036 -5.456 1.00 0.85 N ATOM 1312 CZ ARG B 23 -13.093 6.549 -6.435 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -13.544 5.765 -7.407 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -13.391 7.840 -6.441 1.00 1.40 N ATOM 0 H ARG B 23 -8.644 2.398 -5.550 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.422 1.174 -3.701 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -9.929 3.246 -2.989 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.527 3.815 -4.597 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -12.396 3.544 -3.661 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -11.445 4.985 -3.361 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -11.005 4.550 -6.060 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.661 4.010 -5.866 1.00 0.35 H new ATOM 0 HE ARG B 23 -12.078 6.646 -4.684 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -13.319 4.770 -7.405 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -14.115 6.158 -8.155 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -13.049 8.446 -5.695 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -13.962 8.228 -7.192 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.581 1.793 -6.645 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.661 1.524 -7.568 1.00 0.25 C ATOM 1330 C ARG B 24 -12.977 0.046 -7.604 1.00 0.26 C ATOM 1331 O ARG B 24 -14.131 -0.341 -7.420 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.296 2.005 -8.966 1.00 0.29 C ATOM 1333 CG ARG B 24 -13.326 1.661 -10.014 1.00 0.42 C ATOM 1334 CD ARG B 24 -12.958 2.263 -11.361 1.00 0.55 C ATOM 1335 NE ARG B 24 -11.936 1.483 -12.058 1.00 1.47 N ATOM 1336 CZ ARG B 24 -11.012 2.010 -12.860 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -10.902 3.329 -12.984 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -10.174 1.216 -13.513 1.00 3.19 N ATOM 0 H ARG B 24 -10.734 2.143 -7.093 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.543 2.064 -7.224 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.160 3.086 -8.945 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.339 1.569 -9.253 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -13.408 0.578 -10.106 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -14.303 2.029 -9.702 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -13.850 2.327 -11.984 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -12.598 3.281 -11.215 1.00 0.55 H new ATOM 0 HE ARG B 24 -11.930 0.472 -11.922 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -11.527 3.944 -12.463 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -10.192 3.726 -13.600 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -10.238 0.204 -13.401 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -9.466 1.617 -14.128 1.00 3.19 H new ATOM 1352 N THR B 25 -11.971 -0.796 -7.832 1.00 0.26 N ATOM 1353 CA THR B 25 -12.179 -2.229 -7.783 1.00 0.29 C ATOM 1354 C THR B 25 -12.558 -2.672 -6.367 1.00 0.28 C ATOM 1355 O THR B 25 -13.235 -3.683 -6.171 1.00 0.33 O ATOM 1356 CB THR B 25 -10.895 -2.955 -8.232 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.437 -2.397 -9.475 1.00 0.35 O ATOM 1358 CG2 THR B 25 -11.130 -4.448 -8.404 1.00 0.40 C ATOM 0 H THR B 25 -11.017 -0.509 -8.050 1.00 0.26 H new ATOM 0 HA THR B 25 -12.997 -2.486 -8.456 1.00 0.29 H new ATOM 0 HB THR B 25 -10.141 -2.817 -7.457 1.00 0.32 H new ATOM 0 HG1 THR B 25 -9.966 -1.555 -9.302 1.00 0.35 H new ATOM 0 HG21 THR B 25 -10.204 -4.928 -8.721 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.455 -4.877 -7.456 1.00 0.40 H new ATOM 0 HG23 THR B 25 -11.900 -4.611 -9.158 1.00 0.40 H new ATOM 1366 N LEU B 26 -12.114 -1.892 -5.386 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.494 -2.093 -3.993 1.00 0.26 C ATOM 1368 C LEU B 26 -13.988 -1.859 -3.806 1.00 0.26 C ATOM 1369 O LEU B 26 -14.568 -2.306 -2.818 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.712 -1.136 -3.084 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.558 -1.754 -2.286 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -11.067 -2.868 -1.392 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.471 -2.272 -3.213 1.00 0.27 C ATOM 0 H LEU B 26 -11.482 -1.105 -5.534 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.258 -3.122 -3.723 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.311 -0.330 -3.699 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.411 -0.683 -2.381 1.00 0.24 H new ATOM 0 HG LEU B 26 -10.125 -0.974 -1.659 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -10.234 -3.295 -0.833 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -11.804 -2.468 -0.696 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.529 -3.643 -2.004 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.664 -2.705 -2.622 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -9.887 -3.034 -3.872 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -9.080 -1.449 -3.811 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.588 -1.156 -4.776 1.00 0.27 N ATOM 1386 CA ARG B 27 -16.005 -0.797 -4.749 1.00 0.32 C ATOM 1387 C ARG B 27 -16.234 0.324 -3.741 1.00 0.31 C ATOM 1388 O ARG B 27 -17.348 0.544 -3.263 1.00 0.34 O ATOM 1389 CB ARG B 27 -16.863 -2.021 -4.417 1.00 0.37 C ATOM 1390 CG ARG B 27 -18.317 -1.880 -4.825 1.00 0.75 C ATOM 1391 CD ARG B 27 -18.463 -1.765 -6.332 1.00 1.00 C ATOM 1392 NE ARG B 27 -19.861 -1.613 -6.731 1.00 1.79 N ATOM 1393 CZ ARG B 27 -20.256 -0.996 -7.841 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -19.363 -0.478 -8.675 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -21.549 -0.905 -8.117 1.00 3.28 N ATOM 0 H ARG B 27 -14.097 -0.820 -5.605 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.302 -0.441 -5.736 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.440 -2.895 -4.913 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -16.813 -2.208 -3.344 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -18.881 -2.742 -4.468 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -18.746 -0.999 -4.348 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -17.888 -0.911 -6.689 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -18.044 -2.652 -6.807 1.00 1.00 H new ATOM 0 HE ARG B 27 -20.578 -2.004 -6.120 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -18.367 -0.552 -8.466 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -19.672 -0.006 -9.525 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -22.236 -1.307 -7.479 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -21.857 -0.433 -8.967 1.00 3.28 H new ATOM 1409 N ILE B 28 -15.166 1.053 -3.451 1.00 0.29 N ATOM 1410 CA ILE B 28 -15.191 2.087 -2.431 1.00 0.30 C ATOM 1411 C ILE B 28 -14.768 3.434 -3.029 1.00 0.30 C ATOM 1412 O ILE B 28 -14.764 3.600 -4.248 1.00 0.33 O ATOM 1413 CB ILE B 28 -14.282 1.683 -1.245 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -14.443 0.184 -0.981 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -14.662 2.460 0.011 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -13.569 -0.356 0.121 1.00 0.37 C ATOM 0 H ILE B 28 -14.264 0.944 -3.914 1.00 0.29 H new ATOM 0 HA ILE B 28 -16.208 2.196 -2.054 1.00 0.30 H new ATOM 0 HB ILE B 28 -13.247 1.913 -1.498 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -15.485 -0.018 -0.733 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -14.223 -0.359 -1.900 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -14.012 2.162 0.834 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -14.548 3.528 -0.173 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -15.698 2.246 0.272 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -13.750 -1.425 0.238 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -12.522 -0.191 -0.131 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -13.803 0.156 1.055 1.00 0.37 H new ATOM 1428 N ARG B 29 -14.413 4.383 -2.175 1.00 0.28 N ATOM 1429 CA ARG B 29 -14.189 5.762 -2.596 1.00 0.30 C ATOM 1430 C ARG B 29 -13.197 6.481 -1.692 1.00 0.27 C ATOM 1431 O ARG B 29 -12.426 5.846 -0.975 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.533 6.507 -2.625 1.00 0.33 C ATOM 1433 CG ARG B 29 -16.466 6.129 -1.477 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.865 6.476 -0.126 1.00 0.59 C ATOM 1435 NE ARG B 29 -16.525 5.772 0.976 1.00 1.03 N ATOM 1436 CZ ARG B 29 -16.762 6.311 2.173 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -16.516 7.596 2.392 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -17.271 5.563 3.143 1.00 1.99 N ATOM 0 H ARG B 29 -14.272 4.223 -1.178 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.753 5.748 -3.595 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -15.345 7.580 -2.591 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -16.033 6.301 -3.571 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -17.417 6.647 -1.596 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.678 5.061 -1.517 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -14.804 6.227 -0.129 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -15.940 7.551 0.037 1.00 0.59 H new ATOM 0 HE ARG B 29 -16.822 4.809 0.818 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -16.143 8.179 1.643 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -16.700 8.001 3.310 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -17.480 4.579 2.972 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -17.454 5.972 4.060 1.00 1.99 H new ATOM 1452 N GLU B 30 -13.251 7.811 -1.721 1.00 0.30 N ATOM 1453 CA GLU B 30 -12.339 8.666 -0.960 1.00 0.31 C ATOM 1454 C GLU B 30 -12.669 8.669 0.529 1.00 0.30 C ATOM 1455 O GLU B 30 -12.549 9.680 1.218 1.00 0.36 O ATOM 1456 CB GLU B 30 -12.376 10.085 -1.513 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.559 10.250 -2.779 1.00 0.44 C ATOM 1458 CD GLU B 30 -12.069 9.407 -3.934 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -11.640 8.241 -4.066 1.00 1.08 O ATOM 1460 OE2 GLU B 30 -12.914 9.902 -4.707 1.00 1.18 O ATOM 0 H GLU B 30 -13.932 8.330 -2.276 1.00 0.30 H new ATOM 0 HA GLU B 30 -11.333 8.259 -1.069 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -13.410 10.363 -1.716 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -12.004 10.774 -0.755 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -11.565 11.299 -3.073 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.523 9.983 -2.572 1.00 0.44 H new ATOM 1467 N GLY B 31 -13.073 7.509 1.007 1.00 0.26 N ATOM 1468 CA GLY B 31 -13.258 7.282 2.419 1.00 0.26 C ATOM 1469 C GLY B 31 -13.089 5.815 2.726 1.00 0.27 C ATOM 1470 O GLY B 31 -13.715 5.271 3.634 1.00 0.35 O ATOM 0 H GLY B 31 -13.281 6.699 0.423 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.537 7.868 2.989 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -14.250 7.615 2.723 1.00 0.26 H new ATOM 1474 N ASP B 32 -12.249 5.174 1.929 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.868 3.792 2.148 1.00 0.29 C ATOM 1476 C ASP B 32 -10.689 3.725 3.098 1.00 0.26 C ATOM 1477 O ASP B 32 -9.693 4.430 2.925 1.00 0.29 O ATOM 1478 CB ASP B 32 -11.495 3.115 0.830 1.00 0.35 C ATOM 1479 CG ASP B 32 -10.877 1.746 1.030 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -11.488 0.913 1.736 1.00 1.29 O ATOM 1481 OD2 ASP B 32 -9.796 1.498 0.463 1.00 1.07 O ATOM 0 H ASP B 32 -11.813 5.600 1.111 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.720 3.269 2.582 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -12.387 3.020 0.210 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -10.795 3.749 0.286 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.804 2.916 4.136 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.714 2.656 5.033 1.00 0.24 C ATOM 1488 C PRO B 33 -8.835 1.554 4.501 1.00 0.41 C ATOM 1489 O PRO B 33 -9.297 0.674 3.798 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.388 2.219 6.331 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.833 1.985 5.995 1.00 0.12 C ATOM 1492 CD PRO B 33 -11.999 2.174 4.507 1.00 0.20 C ATOM 0 HA PRO B 33 -9.071 3.526 5.166 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -9.928 1.312 6.722 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.286 2.985 7.100 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.135 0.979 6.288 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.469 2.681 6.541 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -12.060 1.220 3.983 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.908 2.727 4.269 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.570 1.614 4.804 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.685 0.536 4.455 1.00 0.19 C ATOM 1502 C LEU B 34 -5.754 0.253 5.605 1.00 0.19 C ATOM 1503 O LEU B 34 -5.365 1.146 6.326 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.887 0.850 3.190 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.700 1.457 2.052 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -6.225 2.869 1.754 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -6.614 0.582 0.809 1.00 0.44 C ATOM 0 H LEU B 34 -7.128 2.394 5.290 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.289 -0.348 4.250 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -5.081 1.537 3.448 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.421 -0.069 2.834 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.744 1.507 2.360 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -6.816 3.287 0.939 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -6.344 3.488 2.643 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -5.174 2.846 1.465 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -7.200 1.031 0.007 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -5.574 0.498 0.495 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -7.006 -0.410 1.034 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.378 -0.987 5.722 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.519 -1.420 6.796 1.00 0.17 C ATOM 1521 C GLU B 35 -3.158 -1.644 6.232 1.00 0.13 C ATOM 1522 O GLU B 35 -2.986 -2.551 5.437 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.006 -2.702 7.456 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.146 -3.120 8.634 1.00 0.21 C ATOM 1525 CD GLU B 35 -4.545 -4.462 9.193 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -5.760 -4.720 9.328 1.00 1.09 O ATOM 1527 OE2 GLU B 35 -3.655 -5.287 9.451 1.00 1.10 O ATOM 0 H GLU B 35 -5.655 -1.729 5.079 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.516 -0.648 7.565 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.033 -2.564 7.793 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.017 -3.504 6.718 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.102 -3.156 8.323 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.219 -2.367 9.419 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.219 -0.805 6.619 1.00 0.12 N ATOM 1535 CA ILE B 36 -0.866 -0.884 6.132 1.00 0.11 C ATOM 1536 C ILE B 36 -0.084 -1.851 6.998 1.00 0.11 C ATOM 1537 O ILE B 36 0.144 -1.588 8.177 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.181 0.515 6.160 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.790 1.465 5.120 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.319 0.394 5.934 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.162 2.007 5.469 1.00 0.62 C ATOM 0 H ILE B 36 -2.378 -0.047 7.283 1.00 0.12 H new ATOM 0 HA ILE B 36 -0.884 -1.234 5.100 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.356 0.935 7.150 1.00 0.13 H new ATOM 0 HG12 ILE B 36 -0.110 2.305 4.976 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -0.855 0.941 4.166 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.772 1.385 5.958 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.756 -0.224 6.718 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.505 -0.066 4.963 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.506 2.667 4.673 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.862 1.179 5.582 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.106 2.565 6.404 1.00 0.62 H new ATOM 1553 N PHE B 37 0.253 -2.995 6.434 1.00 0.10 N ATOM 1554 CA PHE B 37 1.096 -3.960 7.114 1.00 0.11 C ATOM 1555 C PHE B 37 1.886 -4.765 6.098 1.00 0.10 C ATOM 1556 O PHE B 37 1.337 -5.255 5.121 1.00 0.10 O ATOM 1557 CB PHE B 37 0.270 -4.868 8.034 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.418 -6.018 7.352 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.660 -5.857 6.765 1.00 1.09 C ATOM 1560 CD2 PHE B 37 0.184 -7.266 7.305 1.00 1.16 C ATOM 1561 CE1 PHE B 37 -2.288 -6.919 6.145 1.00 1.14 C ATOM 1562 CE2 PHE B 37 -0.440 -8.330 6.686 1.00 1.20 C ATOM 1563 CZ PHE B 37 -1.678 -8.156 6.105 1.00 0.49 C ATOM 0 H PHE B 37 -0.046 -3.280 5.501 1.00 0.10 H new ATOM 0 HA PHE B 37 1.801 -3.422 7.748 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.926 -5.266 8.809 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.484 -4.261 8.535 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.143 -4.891 6.792 1.00 1.09 H new ATOM 0 HD2 PHE B 37 1.154 -7.407 7.759 1.00 1.16 H new ATOM 0 HE1 PHE B 37 -3.258 -6.781 5.691 1.00 1.14 H new ATOM 0 HE2 PHE B 37 0.040 -9.297 6.657 1.00 1.20 H new ATOM 0 HZ PHE B 37 -2.169 -8.986 5.620 1.00 0.49 H new ATOM 1573 N VAL B 38 3.173 -4.893 6.323 1.00 0.10 N ATOM 1574 CA VAL B 38 4.022 -5.618 5.395 1.00 0.10 C ATOM 1575 C VAL B 38 3.895 -7.112 5.621 1.00 0.13 C ATOM 1576 O VAL B 38 3.751 -7.570 6.752 1.00 0.20 O ATOM 1577 CB VAL B 38 5.499 -5.166 5.513 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.915 -5.065 6.973 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.436 -6.104 4.755 1.00 0.17 C ATOM 0 H VAL B 38 3.657 -4.509 7.135 1.00 0.10 H new ATOM 0 HA VAL B 38 3.688 -5.391 4.383 1.00 0.10 H new ATOM 0 HB VAL B 38 5.577 -4.179 5.058 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.956 -4.746 7.034 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.282 -4.338 7.482 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.805 -6.039 7.451 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.463 -5.755 4.860 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.351 -7.111 5.163 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.163 -6.116 3.700 1.00 0.17 H new ATOM 1589 N ASP B 39 3.918 -7.857 4.531 1.00 0.14 N ATOM 1590 CA ASP B 39 3.700 -9.293 4.583 1.00 0.19 C ATOM 1591 C ASP B 39 5.008 -10.053 4.721 1.00 0.42 C ATOM 1592 O ASP B 39 5.142 -10.940 5.563 1.00 1.05 O ATOM 1593 CB ASP B 39 2.984 -9.767 3.319 1.00 0.26 C ATOM 1594 CG ASP B 39 2.528 -11.211 3.420 1.00 0.32 C ATOM 1595 OD1 ASP B 39 2.045 -11.615 4.500 1.00 1.14 O ATOM 1596 OD2 ASP B 39 2.670 -11.954 2.427 1.00 1.13 O ATOM 0 H ASP B 39 4.086 -7.490 3.594 1.00 0.14 H new ATOM 0 HA ASP B 39 3.084 -9.495 5.459 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.121 -9.128 3.132 1.00 0.26 H new ATOM 0 HB3 ASP B 39 3.651 -9.658 2.464 1.00 0.26 H new ATOM 1601 N ARG B 40 5.978 -9.690 3.898 1.00 0.46 N ATOM 1602 CA ARG B 40 7.179 -10.495 3.750 1.00 0.54 C ATOM 1603 C ARG B 40 8.456 -9.662 3.786 1.00 0.52 C ATOM 1604 O ARG B 40 8.912 -9.265 4.856 1.00 0.59 O ATOM 1605 CB ARG B 40 7.087 -11.313 2.460 1.00 0.65 C ATOM 1606 CG ARG B 40 6.135 -10.706 1.443 1.00 0.75 C ATOM 1607 CD ARG B 40 5.289 -11.772 0.766 1.00 0.77 C ATOM 1608 NE ARG B 40 6.023 -12.489 -0.275 1.00 1.29 N ATOM 1609 CZ ARG B 40 6.091 -13.818 -0.364 1.00 2.04 C ATOM 1610 NH1 ARG B 40 5.504 -14.584 0.548 1.00 2.59 N ATOM 1611 NH2 ARG B 40 6.752 -14.382 -1.366 1.00 2.71 N ATOM 0 H ARG B 40 5.958 -8.847 3.324 1.00 0.46 H new ATOM 0 HA ARG B 40 7.238 -11.169 4.605 1.00 0.54 H new ATOM 0 HB2 ARG B 40 8.079 -11.397 2.017 1.00 0.65 H new ATOM 0 HB3 ARG B 40 6.759 -12.324 2.699 1.00 0.65 H new ATOM 0 HG2 ARG B 40 5.485 -9.984 1.937 1.00 0.75 H new ATOM 0 HG3 ARG B 40 6.704 -10.160 0.691 1.00 0.75 H new ATOM 0 HD2 ARG B 40 4.938 -12.483 1.514 1.00 0.77 H new ATOM 0 HD3 ARG B 40 4.405 -11.307 0.329 1.00 0.77 H new ATOM 0 HE ARG B 40 6.515 -11.938 -0.978 1.00 1.29 H new ATOM 0 HH11 ARG B 40 4.997 -14.157 1.323 1.00 2.59 H new ATOM 0 HH12 ARG B 40 5.560 -15.600 0.474 1.00 2.59 H new ATOM 0 HH21 ARG B 40 7.208 -13.799 -2.068 1.00 2.71 H new ATOM 0 HH22 ARG B 40 6.804 -15.398 -1.434 1.00 2.71 H new ATOM 1625 N ASP B 41 9.024 -9.388 2.618 1.00 0.53 N ATOM 1626 CA ASP B 41 10.291 -8.670 2.538 1.00 0.56 C ATOM 1627 C ASP B 41 10.067 -7.172 2.627 1.00 0.48 C ATOM 1628 O ASP B 41 10.373 -6.537 3.634 1.00 0.59 O ATOM 1629 CB ASP B 41 11.008 -9.010 1.230 1.00 0.59 C ATOM 1630 CG ASP B 41 12.323 -8.265 1.077 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.334 -8.710 1.657 1.00 1.18 O ATOM 1632 OD2 ASP B 41 12.355 -7.236 0.367 1.00 1.32 O ATOM 0 H ASP B 41 8.629 -9.651 1.715 1.00 0.53 H new ATOM 0 HA ASP B 41 10.912 -8.979 3.379 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.195 -10.083 1.190 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.357 -8.769 0.389 1.00 0.59 H new ATOM 1637 N GLY B 42 9.520 -6.619 1.566 1.00 0.34 N ATOM 1638 CA GLY B 42 9.232 -5.203 1.534 1.00 0.26 C ATOM 1639 C GLY B 42 7.911 -4.933 0.874 1.00 0.18 C ATOM 1640 O GLY B 42 7.691 -3.868 0.309 1.00 0.17 O ATOM 0 H GLY B 42 9.267 -7.126 0.718 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.221 -4.808 2.550 1.00 0.26 H new ATOM 0 HA3 GLY B 42 10.023 -4.680 0.997 1.00 0.26 H new ATOM 1644 N GLU B 43 7.036 -5.923 0.926 1.00 0.15 N ATOM 1645 CA GLU B 43 5.711 -5.790 0.356 1.00 0.12 C ATOM 1646 C GLU B 43 4.754 -5.312 1.426 1.00 0.09 C ATOM 1647 O GLU B 43 4.447 -6.053 2.360 1.00 0.09 O ATOM 1648 CB GLU B 43 5.224 -7.124 -0.220 1.00 0.16 C ATOM 1649 CG GLU B 43 6.343 -7.952 -0.834 1.00 0.57 C ATOM 1650 CD GLU B 43 5.871 -8.868 -1.949 1.00 1.17 C ATOM 1651 OE1 GLU B 43 5.522 -8.364 -3.037 1.00 1.65 O ATOM 1652 OE2 GLU B 43 5.870 -10.097 -1.755 1.00 2.07 O ATOM 0 H GLU B 43 7.222 -6.828 1.358 1.00 0.15 H new ATOM 0 HA GLU B 43 5.751 -5.065 -0.457 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.745 -7.701 0.571 1.00 0.16 H new ATOM 0 HB3 GLU B 43 4.465 -6.930 -0.978 1.00 0.16 H new ATOM 0 HG2 GLU B 43 7.109 -7.282 -1.224 1.00 0.57 H new ATOM 0 HG3 GLU B 43 6.811 -8.552 -0.054 1.00 0.57 H new ATOM 1659 N VAL B 44 4.313 -4.073 1.316 1.00 0.08 N ATOM 1660 CA VAL B 44 3.363 -3.528 2.261 1.00 0.07 C ATOM 1661 C VAL B 44 1.962 -3.816 1.776 1.00 0.07 C ATOM 1662 O VAL B 44 1.629 -3.553 0.633 1.00 0.08 O ATOM 1663 CB VAL B 44 3.501 -2.008 2.438 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.997 -1.599 3.810 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.933 -1.548 2.226 1.00 0.13 C ATOM 0 H VAL B 44 4.599 -3.427 0.581 1.00 0.08 H new ATOM 0 HA VAL B 44 3.566 -4.000 3.222 1.00 0.07 H new ATOM 0 HB VAL B 44 2.891 -1.520 1.678 1.00 0.09 H new ATOM 0 HG11 VAL B 44 3.098 -0.520 3.928 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.948 -1.878 3.911 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.582 -2.104 4.578 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.992 -0.468 2.359 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.584 -2.039 2.950 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.253 -1.807 1.217 1.00 0.13 H new ATOM 1675 N ILE B 45 1.149 -4.341 2.646 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.197 -4.724 2.295 1.00 0.08 C ATOM 1677 C ILE B 45 -1.147 -3.744 2.938 1.00 0.09 C ATOM 1678 O ILE B 45 -1.131 -3.590 4.149 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.519 -6.148 2.786 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.175 -7.200 1.907 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -2.027 -6.385 2.824 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.682 -7.124 1.885 1.00 0.09 C ATOM 0 H ILE B 45 1.396 -4.518 3.620 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.300 -4.714 1.210 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.136 -6.247 3.802 1.00 0.10 H new ATOM 0 HG12 ILE B 45 -0.118 -8.191 2.254 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.193 -7.098 0.886 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.227 -7.398 3.174 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.491 -5.668 3.502 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.441 -6.258 1.823 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.076 -7.907 1.237 1.00 0.09 H new ATOM 0 HD12 ILE B 45 1.992 -6.150 1.506 1.00 0.09 H new ATOM 0 HD13 ILE B 45 2.068 -7.260 2.895 1.00 0.09 H new ATOM 1694 N LEU B 46 -1.909 -3.044 2.124 1.00 0.09 N ATOM 1695 CA LEU B 46 -2.918 -2.117 2.612 1.00 0.10 C ATOM 1696 C LEU B 46 -4.291 -2.684 2.308 1.00 0.11 C ATOM 1697 O LEU B 46 -4.646 -2.826 1.148 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.769 -0.766 1.906 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.387 -0.488 1.330 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.440 0.745 0.451 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.359 -0.307 2.435 1.00 0.13 C ATOM 0 H LEU B 46 -1.850 -3.099 1.107 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.795 -1.978 3.686 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.500 -0.713 1.099 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.017 0.025 2.613 1.00 0.11 H new ATOM 0 HG LEU B 46 -1.083 -1.346 0.730 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.450 0.942 0.040 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.145 0.581 -0.364 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.763 1.601 1.044 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.618 -0.110 1.994 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -0.648 0.533 3.067 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.309 -1.214 3.037 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.072 -3.002 3.319 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.378 -3.596 3.050 1.00 0.16 C ATOM 1715 C LYS B 47 -7.516 -2.845 3.733 1.00 0.14 C ATOM 1716 O LYS B 47 -7.342 -2.298 4.805 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.359 -5.092 3.394 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.364 -5.549 4.438 1.00 0.24 C ATOM 1719 CD LYS B 47 -6.847 -5.358 5.856 1.00 0.40 C ATOM 1720 CE LYS B 47 -5.446 -5.924 6.022 1.00 0.52 C ATOM 1721 NZ LYS B 47 -5.245 -6.548 7.359 1.00 0.95 N ATOM 0 H LYS B 47 -4.843 -2.868 4.304 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.578 -3.502 1.983 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -6.534 -5.657 2.478 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.359 -5.352 3.743 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.293 -4.992 4.314 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.599 -6.601 4.277 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -6.843 -4.296 6.102 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -7.523 -5.845 6.559 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -5.262 -6.666 5.245 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -4.715 -5.127 5.881 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -4.230 -6.565 7.585 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -5.751 -5.995 8.080 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -5.614 -7.520 7.347 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.677 -2.896 3.090 1.00 0.17 N ATOM 1736 CA LYS B 48 -9.867 -2.063 3.375 1.00 0.17 C ATOM 1737 C LYS B 48 -10.241 -1.816 4.849 1.00 0.13 C ATOM 1738 O LYS B 48 -11.097 -0.971 5.111 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.052 -2.692 2.688 1.00 0.22 C ATOM 1740 CG LYS B 48 -10.995 -4.203 2.727 1.00 0.24 C ATOM 1741 CD LYS B 48 -11.522 -4.812 1.445 1.00 0.35 C ATOM 1742 CE LYS B 48 -13.003 -4.548 1.259 1.00 0.43 C ATOM 1743 NZ LYS B 48 -13.600 -5.439 0.225 1.00 0.64 N ATOM 0 H LYS B 48 -8.834 -3.545 2.319 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.596 -1.075 3.003 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -11.971 -2.352 3.166 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -11.089 -2.357 1.651 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -9.966 -4.525 2.888 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -11.579 -4.568 3.572 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -10.972 -4.405 0.597 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -11.344 -5.887 1.454 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -13.520 -4.695 2.207 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -13.153 -3.507 0.972 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -14.594 -5.629 0.463 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -13.549 -4.975 -0.704 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -13.074 -6.336 0.194 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.677 -2.571 5.784 1.00 0.13 N ATOM 1758 CA TYR B 49 -9.852 -2.322 7.226 1.00 0.15 C ATOM 1759 C TYR B 49 -11.245 -2.683 7.728 1.00 0.18 C ATOM 1760 O TYR B 49 -11.384 -3.448 8.677 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.601 -0.860 7.581 1.00 0.19 C ATOM 1762 CG TYR B 49 -10.019 -0.512 8.999 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.451 -1.148 10.098 1.00 1.18 C ATOM 1764 CD2 TYR B 49 -11.009 0.436 9.236 1.00 1.14 C ATOM 1765 CE1 TYR B 49 -9.848 -0.843 11.386 1.00 1.26 C ATOM 1766 CE2 TYR B 49 -11.416 0.742 10.521 1.00 1.19 C ATOM 1767 CZ TYR B 49 -10.833 0.099 11.592 1.00 0.62 C ATOM 1768 OH TYR B 49 -11.240 0.398 12.872 1.00 0.79 O ATOM 0 H TYR B 49 -9.085 -3.374 5.573 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.118 -2.965 7.711 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.541 -0.639 7.456 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.144 -0.224 6.882 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -8.686 -1.894 9.942 1.00 1.18 H new ATOM 0 HD2 TYR B 49 -11.468 0.943 8.400 1.00 1.14 H new ATOM 0 HE1 TYR B 49 -9.389 -1.340 12.227 1.00 1.26 H new ATOM 0 HE2 TYR B 49 -12.187 1.481 10.685 1.00 1.19 H new ATOM 0 HH TYR B 49 -11.940 1.083 12.841 1.00 0.79 H new ATOM 1778 N SER B 50 -12.263 -2.084 7.119 1.00 0.20 N ATOM 1779 CA SER B 50 -13.636 -2.233 7.573 1.00 0.28 C ATOM 1780 C SER B 50 -14.004 -3.714 7.715 1.00 0.29 C ATOM 1781 O SER B 50 -14.490 -4.128 8.767 1.00 0.35 O ATOM 1782 CB SER B 50 -14.598 -1.503 6.627 1.00 0.39 C ATOM 1783 OG SER B 50 -15.883 -1.347 7.212 1.00 1.22 O ATOM 0 H SER B 50 -12.158 -1.485 6.300 1.00 0.20 H new ATOM 0 HA SER B 50 -13.727 -1.776 8.558 1.00 0.28 H new ATOM 0 HB2 SER B 50 -14.190 -0.524 6.375 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.687 -2.061 5.695 1.00 0.39 H new ATOM 0 HG SER B 50 -16.473 -0.877 6.586 1.00 1.22 H new ATOM 1789 N PRO B 51 -13.796 -4.540 6.668 1.00 0.34 N ATOM 1790 CA PRO B 51 -13.924 -5.984 6.784 1.00 0.43 C ATOM 1791 C PRO B 51 -12.593 -6.646 7.119 1.00 0.45 C ATOM 1792 O PRO B 51 -12.446 -7.859 7.003 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.363 -6.381 5.392 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.637 -5.436 4.502 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.486 -4.151 5.274 1.00 0.41 C ATOM 0 HA PRO B 51 -14.607 -6.285 7.578 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -14.103 -7.416 5.172 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.443 -6.291 5.273 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -12.663 -5.837 4.222 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.191 -5.270 3.578 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.477 -3.747 5.186 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.169 -3.383 4.911 1.00 0.41 H new ATOM 1803 N ILE B 52 -11.635 -5.826 7.536 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.282 -6.277 7.843 1.00 0.45 C ATOM 1805 C ILE B 52 -9.743 -7.121 6.686 1.00 0.57 C ATOM 1806 O ILE B 52 -10.039 -6.836 5.523 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.242 -7.070 9.172 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -11.426 -6.660 10.056 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -8.926 -6.811 9.904 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -11.409 -7.279 11.439 1.00 0.70 C ATOM 0 H ILE B 52 -11.775 -4.825 7.671 1.00 0.37 H new ATOM 0 HA ILE B 52 -9.645 -5.402 7.968 1.00 0.45 H new ATOM 0 HB ILE B 52 -10.313 -8.135 8.951 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.433 -5.575 10.156 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.353 -6.940 9.556 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -8.911 -7.375 10.837 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -8.092 -7.126 9.276 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -8.834 -5.747 10.122 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.279 -6.939 12.001 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -11.435 -8.365 11.352 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -10.500 -6.979 11.961 1.00 0.70 H new ATOM 1822 N SER B 53 -8.953 -8.138 6.981 1.00 0.78 N ATOM 1823 CA SER B 53 -8.467 -9.019 5.939 1.00 0.95 C ATOM 1824 C SER B 53 -9.507 -10.091 5.629 1.00 1.16 C ATOM 1825 O SER B 53 -9.395 -11.219 6.109 1.00 1.86 O ATOM 1826 CB SER B 53 -7.154 -9.696 6.338 1.00 1.08 C ATOM 1827 OG SER B 53 -6.059 -8.811 6.236 1.00 1.48 O ATOM 0 H SER B 53 -8.638 -8.371 7.923 1.00 0.78 H new ATOM 0 HA SER B 53 -8.286 -8.408 5.055 1.00 0.95 H new ATOM 0 HB2 SER B 53 -7.230 -10.064 7.361 1.00 1.08 H new ATOM 0 HB3 SER B 53 -6.982 -10.563 5.699 1.00 1.08 H new ATOM 0 HG SER B 53 -5.614 -8.940 5.373 1.00 1.48 H new ATOM 1833 N GLU B 54 -10.536 -9.714 4.872 1.00 1.07 N ATOM 1834 CA GLU B 54 -11.592 -10.642 4.470 1.00 1.27 C ATOM 1835 C GLU B 54 -12.393 -11.106 5.689 1.00 1.46 C ATOM 1836 O GLU B 54 -12.095 -12.136 6.295 1.00 2.29 O ATOM 1837 CB GLU B 54 -10.982 -11.836 3.727 1.00 1.47 C ATOM 1838 CG GLU B 54 -11.992 -12.818 3.164 1.00 1.75 C ATOM 1839 CD GLU B 54 -11.310 -13.995 2.506 1.00 2.00 C ATOM 1840 OE1 GLU B 54 -10.880 -13.857 1.341 1.00 2.41 O ATOM 1841 OE2 GLU B 54 -11.183 -15.054 3.156 1.00 2.62 O ATOM 0 H GLU B 54 -10.661 -8.764 4.522 1.00 1.07 H new ATOM 0 HA GLU B 54 -12.278 -10.128 3.796 1.00 1.27 H new ATOM 0 HB2 GLU B 54 -10.366 -11.461 2.910 1.00 1.47 H new ATOM 0 HB3 GLU B 54 -10.318 -12.369 4.408 1.00 1.47 H new ATOM 0 HG2 GLU B 54 -12.642 -13.173 3.964 1.00 1.75 H new ATOM 0 HG3 GLU B 54 -12.628 -12.312 2.438 1.00 1.75 H new ATOM 1848 N LEU B 55 -13.386 -10.312 6.064 1.00 1.27 N ATOM 1849 CA LEU B 55 -14.206 -10.609 7.227 1.00 1.44 C ATOM 1850 C LEU B 55 -15.116 -11.791 6.919 1.00 2.03 C ATOM 1851 O LEU B 55 -14.815 -12.914 7.374 1.00 2.28 O ATOM 1852 CB LEU B 55 -15.042 -9.382 7.618 1.00 1.59 C ATOM 1853 CG LEU B 55 -15.433 -9.287 9.100 1.00 1.50 C ATOM 1854 CD1 LEU B 55 -16.408 -10.391 9.488 1.00 2.31 C ATOM 1855 CD2 LEU B 55 -14.191 -9.341 9.980 1.00 0.94 C ATOM 1856 OXT LEU B 55 -16.116 -11.597 6.201 1.00 2.64 O ATOM 0 H LEU B 55 -13.643 -9.454 5.576 1.00 1.27 H new ATOM 0 HA LEU B 55 -13.558 -10.864 8.065 1.00 1.44 H new ATOM 0 HB2 LEU B 55 -14.484 -8.485 7.350 1.00 1.59 H new ATOM 0 HB3 LEU B 55 -15.953 -9.381 7.020 1.00 1.59 H new ATOM 0 HG LEU B 55 -15.933 -8.331 9.254 1.00 1.50 H new ATOM 0 HD11 LEU B 55 -16.665 -10.295 10.543 1.00 2.31 H new ATOM 0 HD12 LEU B 55 -17.312 -10.306 8.885 1.00 2.31 H new ATOM 0 HD13 LEU B 55 -15.946 -11.363 9.314 1.00 2.31 H new ATOM 0 HD21 LEU B 55 -14.484 -9.273 11.028 1.00 0.94 H new ATOM 0 HD22 LEU B 55 -13.666 -10.281 9.811 1.00 0.94 H new ATOM 0 HD23 LEU B 55 -13.533 -8.508 9.732 1.00 0.94 H new TER 1868 LEU B 55