USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=19 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+ -150:sc= 0.691 (180deg=-2.14!) USER MOD Set 1.2: B 53 SER OG : rot -96:sc= 2.13 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -163:sc= 1.15! (180deg=0.363!) USER MOD Set 2.2: A 53 SER OG : rot -103:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0603 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.044) USER MOD Single : A 4 THR OG1 : rot 80:sc= -1.01! USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -0.0827 (180deg=-0.413) USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.188 USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.849) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0158 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0228) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 78:sc= -1.08! USER MOD Single : B 20 LYS NZ :NH3+ -162:sc= -0.0391 (180deg=-0.335) USER MOD Single : B 25 THR OG1 : rot 71:sc= 0.359 USER MOD Single : B 48 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.532) 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 8.508 -11.830 12.737 1.00 3.96 N ATOM 2 CA MET A 1 7.219 -11.650 12.031 1.00 3.42 C ATOM 3 C MET A 1 6.994 -10.190 11.689 1.00 2.72 C ATOM 4 O MET A 1 7.559 -9.298 12.323 1.00 3.29 O ATOM 5 CB MET A 1 6.054 -12.170 12.878 1.00 3.67 C ATOM 6 CG MET A 1 5.936 -13.684 12.885 1.00 4.16 C ATOM 7 SD MET A 1 5.717 -14.357 11.226 1.00 4.95 S ATOM 8 CE MET A 1 5.554 -16.104 11.586 1.00 5.91 C ATOM 0 H1 MET A 1 8.419 -12.598 13.433 1.00 3.96 H new ATOM 0 H2 MET A 1 9.250 -12.071 12.049 1.00 3.96 H new ATOM 0 H3 MET A 1 8.762 -10.948 13.226 1.00 3.96 H new ATOM 0 HA MET A 1 7.263 -12.226 11.107 1.00 3.42 H new ATOM 0 HB2 MET A 1 6.175 -11.819 13.903 1.00 3.67 H new ATOM 0 HB3 MET A 1 5.124 -11.743 12.503 1.00 3.67 H new ATOM 0 HG2 MET A 1 6.831 -14.115 13.335 1.00 4.16 H new ATOM 0 HG3 MET A 1 5.092 -13.978 13.509 1.00 4.16 H new ATOM 0 HE1 MET A 1 5.412 -16.655 10.657 1.00 5.91 H new ATOM 0 HE2 MET A 1 6.456 -16.459 12.084 1.00 5.91 H new ATOM 0 HE3 MET A 1 4.694 -16.263 12.237 1.00 5.91 H new ATOM 20 N LYS A 2 6.174 -9.952 10.680 1.00 1.76 N ATOM 21 CA LYS A 2 5.843 -8.601 10.267 1.00 1.11 C ATOM 22 C LYS A 2 4.400 -8.280 10.621 1.00 0.77 C ATOM 23 O LYS A 2 3.955 -8.576 11.730 1.00 0.80 O ATOM 24 CB LYS A 2 6.101 -8.420 8.766 1.00 0.64 C ATOM 25 CG LYS A 2 7.577 -8.473 8.402 1.00 0.98 C ATOM 26 CD LYS A 2 8.414 -7.605 9.338 1.00 1.79 C ATOM 27 CE LYS A 2 8.006 -6.140 9.278 1.00 2.66 C ATOM 28 NZ LYS A 2 8.628 -5.348 10.373 1.00 3.71 N ATOM 0 H LYS A 2 5.723 -10.683 10.129 1.00 1.76 H new ATOM 0 HA LYS A 2 6.485 -7.902 10.803 1.00 1.11 H new ATOM 0 HB2 LYS A 2 5.570 -9.197 8.216 1.00 0.64 H new ATOM 0 HB3 LYS A 2 5.688 -7.463 8.446 1.00 0.64 H new ATOM 0 HG2 LYS A 2 7.928 -9.504 8.449 1.00 0.98 H new ATOM 0 HG3 LYS A 2 7.712 -8.137 7.374 1.00 0.98 H new ATOM 0 HD2 LYS A 2 8.308 -7.969 10.360 1.00 1.79 H new ATOM 0 HD3 LYS A 2 9.467 -7.699 9.074 1.00 1.79 H new ATOM 0 HE2 LYS A 2 8.298 -5.721 8.315 1.00 2.66 H new ATOM 0 HE3 LYS A 2 6.921 -6.062 9.344 1.00 2.66 H new ATOM 0 HZ1 LYS A 2 8.381 -4.344 10.259 1.00 3.71 H new ATOM 0 HZ2 LYS A 2 8.277 -5.689 11.291 1.00 3.71 H new ATOM 0 HZ3 LYS A 2 9.662 -5.456 10.336 1.00 3.71 H new ATOM 42 N ALA A 3 3.693 -7.677 9.676 1.00 0.50 N ATOM 43 CA ALA A 3 2.310 -7.249 9.868 1.00 0.32 C ATOM 44 C ALA A 3 2.214 -6.143 10.914 1.00 0.37 C ATOM 45 O ALA A 3 2.197 -6.397 12.117 1.00 0.72 O ATOM 46 CB ALA A 3 1.406 -8.422 10.233 1.00 0.44 C ATOM 0 H ALA A 3 4.063 -7.469 8.748 1.00 0.50 H new ATOM 0 HA ALA A 3 1.961 -6.845 8.918 1.00 0.32 H new ATOM 0 HB1 ALA A 3 0.385 -8.066 10.368 1.00 0.44 H new ATOM 0 HB2 ALA A 3 1.429 -9.162 9.433 1.00 0.44 H new ATOM 0 HB3 ALA A 3 1.757 -8.877 11.159 1.00 0.44 H new ATOM 52 N THR A 4 2.165 -4.910 10.438 1.00 0.23 N ATOM 53 CA THR A 4 2.104 -3.755 11.311 1.00 0.26 C ATOM 54 C THR A 4 0.664 -3.412 11.679 1.00 0.27 C ATOM 55 O THR A 4 0.355 -3.162 12.845 1.00 0.41 O ATOM 56 CB THR A 4 2.803 -2.555 10.654 1.00 0.26 C ATOM 57 OG1 THR A 4 2.359 -2.414 9.300 1.00 0.23 O ATOM 58 CG2 THR A 4 4.313 -2.737 10.662 1.00 0.27 C ATOM 0 H THR A 4 2.166 -4.685 9.443 1.00 0.23 H new ATOM 0 HA THR A 4 2.628 -4.000 12.235 1.00 0.26 H new ATOM 0 HB THR A 4 2.549 -1.662 11.225 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.487 -1.967 9.287 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.786 -1.875 10.192 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.663 -2.827 11.690 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.574 -3.640 10.110 1.00 0.27 H new ATOM 66 N GLY A 5 -0.207 -3.404 10.683 1.00 0.21 N ATOM 67 CA GLY A 5 -1.619 -3.238 10.936 1.00 0.24 C ATOM 68 C GLY A 5 -1.986 -1.825 11.327 1.00 0.25 C ATOM 69 O GLY A 5 -2.700 -1.608 12.305 1.00 0.32 O ATOM 0 H GLY A 5 0.042 -3.510 9.700 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.178 -3.519 10.044 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -1.923 -3.920 11.730 1.00 0.24 H new ATOM 73 N ILE A 6 -1.503 -0.862 10.563 1.00 0.21 N ATOM 74 CA ILE A 6 -1.877 0.523 10.779 1.00 0.22 C ATOM 75 C ILE A 6 -2.830 0.959 9.680 1.00 0.19 C ATOM 76 O ILE A 6 -2.438 1.119 8.532 1.00 0.17 O ATOM 77 CB ILE A 6 -0.648 1.479 10.858 1.00 0.23 C ATOM 78 CG1 ILE A 6 -1.078 2.944 10.690 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.410 1.124 9.819 1.00 0.20 C ATOM 80 CD1 ILE A 6 -2.039 3.447 11.749 1.00 0.31 C ATOM 0 H ILE A 6 -0.854 -1.013 9.791 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.371 0.587 11.749 1.00 0.22 H new ATOM 0 HB ILE A 6 -0.208 1.352 11.847 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.188 3.573 10.698 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.543 3.062 9.711 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.251 1.813 9.906 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.757 0.105 9.987 1.00 0.20 H new ATOM 0 HG23 ILE A 6 -0.020 1.201 8.821 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -2.287 4.490 11.550 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -2.949 2.847 11.729 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.573 3.366 12.731 1.00 0.31 H new ATOM 92 N VAL A 7 -4.087 1.112 10.035 1.00 0.24 N ATOM 93 CA VAL A 7 -5.090 1.528 9.076 1.00 0.22 C ATOM 94 C VAL A 7 -4.970 3.015 8.791 1.00 0.23 C ATOM 95 O VAL A 7 -4.773 3.829 9.696 1.00 0.28 O ATOM 96 CB VAL A 7 -6.517 1.183 9.533 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.547 1.863 8.632 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.706 -0.328 9.524 1.00 0.23 C ATOM 0 H VAL A 7 -4.440 0.955 10.979 1.00 0.24 H new ATOM 0 HA VAL A 7 -4.903 0.971 8.158 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.665 1.550 10.549 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.551 1.608 8.970 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.413 2.944 8.677 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.413 1.523 7.605 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.718 -0.570 9.848 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.548 -0.708 8.515 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -5.988 -0.789 10.202 1.00 0.23 H new ATOM 108 N ARG A 8 -5.072 3.352 7.523 1.00 0.22 N ATOM 109 CA ARG A 8 -4.980 4.699 7.043 1.00 0.25 C ATOM 110 C ARG A 8 -6.167 4.926 6.120 1.00 0.23 C ATOM 111 O ARG A 8 -6.286 4.257 5.096 1.00 0.26 O ATOM 112 CB ARG A 8 -3.665 4.858 6.257 1.00 0.26 C ATOM 113 CG ARG A 8 -3.712 5.872 5.113 1.00 0.27 C ATOM 114 CD ARG A 8 -4.079 7.260 5.598 1.00 0.31 C ATOM 115 NE ARG A 8 -3.196 7.718 6.669 1.00 1.12 N ATOM 116 CZ ARG A 8 -2.950 8.995 6.941 1.00 1.16 C ATOM 117 NH1 ARG A 8 -3.518 9.959 6.225 1.00 0.64 N ATOM 118 NH2 ARG A 8 -2.144 9.307 7.945 1.00 1.99 N ATOM 0 H ARG A 8 -5.226 2.669 6.781 1.00 0.22 H new ATOM 0 HA ARG A 8 -4.989 5.419 7.862 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -2.878 5.153 6.951 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.383 3.887 5.850 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.741 5.906 4.619 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.438 5.545 4.368 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -4.030 7.960 4.764 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -5.109 7.259 5.953 1.00 0.31 H new ATOM 0 HE ARG A 8 -2.739 7.011 7.245 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -4.149 9.721 5.459 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -3.323 10.937 6.441 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -1.716 8.569 8.504 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -1.951 10.285 8.159 1.00 1.99 H new ATOM 132 N ARG A 9 -7.059 5.826 6.470 1.00 0.19 N ATOM 133 CA ARG A 9 -8.147 6.133 5.570 1.00 0.18 C ATOM 134 C ARG A 9 -7.645 7.126 4.547 1.00 0.20 C ATOM 135 O ARG A 9 -7.540 8.311 4.849 1.00 0.22 O ATOM 136 CB ARG A 9 -9.349 6.692 6.321 1.00 0.19 C ATOM 137 CG ARG A 9 -10.672 6.413 5.634 1.00 0.28 C ATOM 138 CD ARG A 9 -11.695 5.921 6.646 1.00 0.62 C ATOM 139 NE ARG A 9 -12.885 5.340 6.024 1.00 1.45 N ATOM 140 CZ ARG A 9 -14.122 5.462 6.509 1.00 1.80 C ATOM 141 NH1 ARG A 9 -14.361 6.263 7.539 1.00 1.59 N ATOM 142 NH2 ARG A 9 -15.121 4.803 5.933 1.00 2.80 N ATOM 0 H ARG A 9 -7.055 6.346 7.348 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.480 5.220 5.076 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.372 6.265 7.324 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -9.228 7.769 6.435 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -11.036 7.318 5.148 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.534 5.666 4.853 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -11.229 5.176 7.291 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.995 6.752 7.284 1.00 0.62 H new ATOM 0 HE ARG A 9 -12.761 4.807 5.163 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -13.597 6.789 7.964 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -15.308 6.353 7.906 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -14.940 4.208 5.125 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -16.069 4.892 6.299 1.00 2.80 H new ATOM 156 N ILE A 10 -7.348 6.596 3.351 1.00 0.21 N ATOM 157 CA ILE A 10 -6.799 7.345 2.199 1.00 0.24 C ATOM 158 C ILE A 10 -6.733 8.866 2.396 1.00 0.29 C ATOM 159 O ILE A 10 -5.863 9.349 3.131 1.00 0.33 O ATOM 160 CB ILE A 10 -7.565 6.992 0.892 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.042 6.639 1.170 1.00 0.21 C ATOM 162 CG2 ILE A 10 -6.868 5.826 0.216 1.00 0.21 C ATOM 163 CD1 ILE A 10 -9.744 7.590 2.113 1.00 0.22 C ATOM 0 H ILE A 10 -7.485 5.606 3.148 1.00 0.21 H new ATOM 0 HA ILE A 10 -5.762 7.019 2.115 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.559 7.866 0.240 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.583 6.620 0.224 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.090 5.632 1.586 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.396 5.569 -0.702 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -5.841 6.104 -0.022 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -6.865 4.966 0.886 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -10.776 7.268 2.253 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.231 7.593 3.075 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -9.731 8.595 1.692 1.00 0.22 H new ATOM 175 N ASP A 11 -7.647 9.601 1.748 1.00 0.30 N ATOM 176 CA ASP A 11 -7.768 11.051 1.890 1.00 0.36 C ATOM 177 C ASP A 11 -8.588 11.592 0.740 1.00 0.36 C ATOM 178 O ASP A 11 -9.435 10.886 0.217 1.00 0.36 O ATOM 179 CB ASP A 11 -6.410 11.788 1.974 1.00 0.37 C ATOM 180 CG ASP A 11 -5.489 11.603 0.775 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.930 11.105 -0.278 1.00 1.13 O ATOM 182 OD2 ASP A 11 -4.310 11.997 0.879 1.00 1.12 O ATOM 0 H ASP A 11 -8.328 9.198 1.105 1.00 0.30 H new ATOM 0 HA ASP A 11 -8.264 11.238 2.842 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -6.602 12.853 2.102 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -5.887 11.449 2.868 1.00 0.37 H new ATOM 187 N ASP A 12 -8.340 12.835 0.355 1.00 0.41 N ATOM 188 CA ASP A 12 -9.111 13.480 -0.704 1.00 0.43 C ATOM 189 C ASP A 12 -8.645 13.021 -2.090 1.00 0.37 C ATOM 190 O ASP A 12 -9.291 13.306 -3.098 1.00 0.50 O ATOM 191 CB ASP A 12 -8.984 15.003 -0.577 1.00 0.54 C ATOM 192 CG ASP A 12 -9.934 15.761 -1.487 1.00 1.38 C ATOM 193 OD1 ASP A 12 -11.119 15.906 -1.128 1.00 2.26 O ATOM 194 OD2 ASP A 12 -9.499 16.230 -2.564 1.00 1.98 O ATOM 0 H ASP A 12 -7.609 13.421 0.760 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.157 13.192 -0.594 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -9.174 15.292 0.457 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -7.960 15.296 -0.807 1.00 0.54 H new ATOM 199 N LEU A 13 -7.532 12.303 -2.143 1.00 0.32 N ATOM 200 CA LEU A 13 -6.993 11.845 -3.413 1.00 0.29 C ATOM 201 C LEU A 13 -6.984 10.319 -3.465 1.00 0.24 C ATOM 202 O LEU A 13 -7.599 9.722 -4.352 1.00 0.26 O ATOM 203 CB LEU A 13 -5.584 12.411 -3.622 1.00 0.32 C ATOM 204 CG LEU A 13 -4.997 12.282 -5.039 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.502 10.869 -5.315 1.00 0.36 C ATOM 206 CD2 LEU A 13 -6.025 12.693 -6.082 1.00 0.53 C ATOM 0 H LEU A 13 -6.988 12.027 -1.325 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.630 12.207 -4.220 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.597 13.467 -3.353 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.909 11.913 -2.926 1.00 0.32 H new ATOM 0 HG LEU A 13 -4.141 12.954 -5.102 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -4.095 10.817 -6.325 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.725 10.609 -4.596 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -5.332 10.168 -5.222 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -5.592 12.595 -7.078 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.901 12.050 -6.002 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -6.319 13.729 -5.914 1.00 0.53 H new ATOM 218 N GLY A 14 -6.301 9.697 -2.512 1.00 0.21 N ATOM 219 CA GLY A 14 -6.197 8.256 -2.503 1.00 0.19 C ATOM 220 C GLY A 14 -4.809 7.755 -2.137 1.00 0.19 C ATOM 221 O GLY A 14 -4.488 6.594 -2.376 1.00 0.22 O ATOM 0 H GLY A 14 -5.818 10.167 -1.746 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.920 7.851 -1.795 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.466 7.873 -3.488 1.00 0.19 H new ATOM 225 N ARG A 15 -3.970 8.608 -1.553 1.00 0.19 N ATOM 226 CA ARG A 15 -2.649 8.153 -1.134 1.00 0.20 C ATOM 227 C ARG A 15 -2.765 7.341 0.133 1.00 0.17 C ATOM 228 O ARG A 15 -3.651 7.566 0.957 1.00 0.17 O ATOM 229 CB ARG A 15 -1.657 9.283 -0.862 1.00 0.25 C ATOM 230 CG ARG A 15 -1.636 10.380 -1.892 1.00 0.25 C ATOM 231 CD ARG A 15 -2.578 11.470 -1.468 1.00 0.29 C ATOM 232 NE ARG A 15 -2.377 12.713 -2.206 1.00 0.40 N ATOM 233 CZ ARG A 15 -3.094 13.817 -2.005 1.00 0.54 C ATOM 234 NH1 ARG A 15 -3.992 13.859 -1.030 1.00 0.67 N ATOM 235 NH2 ARG A 15 -2.913 14.883 -2.770 1.00 0.69 N ATOM 0 H ARG A 15 -4.173 9.589 -1.364 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.268 7.566 -1.969 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -1.889 9.722 0.108 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.657 8.857 -0.788 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.626 10.776 -1.999 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -1.929 9.987 -2.866 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.604 11.131 -1.609 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -2.449 11.661 -0.403 1.00 0.29 H new ATOM 0 HE ARG A 15 -1.645 12.737 -2.916 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -4.134 13.045 -0.432 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -4.540 14.706 -0.878 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -2.221 14.862 -3.519 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -3.466 15.725 -2.610 1.00 0.69 H new ATOM 249 N VAL A 16 -1.858 6.413 0.295 1.00 0.18 N ATOM 250 CA VAL A 16 -1.741 5.697 1.531 1.00 0.20 C ATOM 251 C VAL A 16 -0.503 6.200 2.229 1.00 0.19 C ATOM 252 O VAL A 16 0.613 5.803 1.902 1.00 0.21 O ATOM 253 CB VAL A 16 -1.661 4.182 1.307 1.00 0.29 C ATOM 254 CG1 VAL A 16 -1.590 3.450 2.629 1.00 1.11 C ATOM 255 CG2 VAL A 16 -2.856 3.712 0.498 1.00 1.24 C ATOM 0 H VAL A 16 -1.187 6.137 -0.421 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.627 5.870 2.142 1.00 0.20 H new ATOM 0 HB VAL A 16 -0.752 3.959 0.749 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -1.534 2.377 2.448 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -0.704 3.773 3.176 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -2.481 3.673 3.217 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -2.790 2.635 0.344 1.00 1.24 H new ATOM 0 HG22 VAL A 16 -3.775 3.946 1.036 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -2.863 4.217 -0.468 1.00 1.24 H new ATOM 265 N VAL A 17 -0.707 7.129 3.140 1.00 0.20 N ATOM 266 CA VAL A 17 0.395 7.796 3.792 1.00 0.21 C ATOM 267 C VAL A 17 1.131 6.822 4.700 1.00 0.21 C ATOM 268 O VAL A 17 0.673 6.509 5.798 1.00 0.26 O ATOM 269 CB VAL A 17 -0.079 9.020 4.598 1.00 0.25 C ATOM 270 CG1 VAL A 17 1.102 9.702 5.272 1.00 0.28 C ATOM 271 CG2 VAL A 17 -0.831 9.997 3.696 1.00 0.27 C ATOM 0 H VAL A 17 -1.630 7.438 3.445 1.00 0.20 H new ATOM 0 HA VAL A 17 1.075 8.152 3.018 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.764 8.680 5.375 1.00 0.25 H new ATOM 0 HG11 VAL A 17 0.750 10.565 5.837 1.00 0.28 H new ATOM 0 HG12 VAL A 17 1.590 9.000 5.948 1.00 0.28 H new ATOM 0 HG13 VAL A 17 1.813 10.031 4.514 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -1.158 10.855 4.283 1.00 0.27 H new ATOM 0 HG22 VAL A 17 -0.172 10.334 2.896 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.700 9.499 3.265 1.00 0.27 H new ATOM 281 N ILE A 18 2.255 6.325 4.213 1.00 0.20 N ATOM 282 CA ILE A 18 3.033 5.342 4.934 1.00 0.22 C ATOM 283 C ILE A 18 4.124 6.009 5.765 1.00 0.20 C ATOM 284 O ILE A 18 5.016 6.669 5.232 1.00 0.21 O ATOM 285 CB ILE A 18 3.644 4.290 3.967 1.00 0.26 C ATOM 286 CG1 ILE A 18 2.567 3.278 3.561 1.00 0.42 C ATOM 287 CG2 ILE A 18 4.839 3.582 4.597 1.00 0.25 C ATOM 288 CD1 ILE A 18 3.098 2.102 2.771 1.00 0.77 C ATOM 0 H ILE A 18 2.649 6.592 3.311 1.00 0.20 H new ATOM 0 HA ILE A 18 2.359 4.822 5.614 1.00 0.22 H new ATOM 0 HB ILE A 18 4.005 4.807 3.078 1.00 0.26 H new ATOM 0 HG12 ILE A 18 2.074 2.907 4.459 1.00 0.42 H new ATOM 0 HG13 ILE A 18 1.808 3.788 2.968 1.00 0.42 H new ATOM 0 HG21 ILE A 18 5.242 2.853 3.894 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.608 4.314 4.841 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.522 3.072 5.506 1.00 0.25 H new ATOM 0 HD11 ILE A 18 2.276 1.431 2.521 1.00 0.77 H new ATOM 0 HD12 ILE A 18 3.565 2.461 1.854 1.00 0.77 H new ATOM 0 HD13 ILE A 18 3.836 1.566 3.368 1.00 0.77 H new ATOM 300 N PRO A 19 4.017 5.891 7.099 1.00 0.23 N ATOM 301 CA PRO A 19 5.057 6.320 8.030 1.00 0.26 C ATOM 302 C PRO A 19 6.447 5.901 7.603 1.00 0.24 C ATOM 303 O PRO A 19 6.655 4.808 7.065 1.00 0.23 O ATOM 304 CB PRO A 19 4.668 5.601 9.313 1.00 0.29 C ATOM 305 CG PRO A 19 3.186 5.604 9.268 1.00 0.32 C ATOM 306 CD PRO A 19 2.836 5.373 7.819 1.00 0.29 C ATOM 0 HA PRO A 19 5.108 7.406 8.109 1.00 0.26 H new ATOM 0 HB2 PRO A 19 5.068 4.587 9.343 1.00 0.29 H new ATOM 0 HB3 PRO A 19 5.045 6.119 10.195 1.00 0.29 H new ATOM 0 HG2 PRO A 19 2.771 4.822 9.903 1.00 0.32 H new ATOM 0 HG3 PRO A 19 2.783 6.552 9.625 1.00 0.32 H new ATOM 0 HD2 PRO A 19 2.668 4.317 7.609 1.00 0.29 H new ATOM 0 HD3 PRO A 19 1.927 5.903 7.535 1.00 0.29 H new ATOM 314 N LYS A 20 7.403 6.768 7.871 1.00 0.27 N ATOM 315 CA LYS A 20 8.789 6.492 7.558 1.00 0.28 C ATOM 316 C LYS A 20 9.280 5.238 8.271 1.00 0.25 C ATOM 317 O LYS A 20 10.311 4.704 7.917 1.00 0.26 O ATOM 318 CB LYS A 20 9.698 7.660 7.930 1.00 0.35 C ATOM 319 CG LYS A 20 9.654 8.010 9.406 1.00 0.40 C ATOM 320 CD LYS A 20 8.466 8.887 9.736 1.00 0.55 C ATOM 321 CE LYS A 20 8.716 10.340 9.364 1.00 0.77 C ATOM 322 NZ LYS A 20 9.798 10.948 10.184 1.00 1.57 N ATOM 0 H LYS A 20 7.242 7.676 8.308 1.00 0.27 H new ATOM 0 HA LYS A 20 8.835 6.337 6.480 1.00 0.28 H new ATOM 0 HB2 LYS A 20 10.723 7.416 7.652 1.00 0.35 H new ATOM 0 HB3 LYS A 20 9.410 8.535 7.348 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.606 7.095 9.996 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.574 8.522 9.686 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.586 8.522 9.206 1.00 0.55 H new ATOM 0 HD3 LYS A 20 8.247 8.817 10.802 1.00 0.55 H new ATOM 0 HE2 LYS A 20 8.982 10.403 8.309 1.00 0.77 H new ATOM 0 HE3 LYS A 20 7.797 10.911 9.496 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 9.706 11.984 10.168 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 9.723 10.609 11.164 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 10.723 10.677 9.794 1.00 1.57 H new ATOM 336 N GLU A 21 8.545 4.779 9.281 1.00 0.24 N ATOM 337 CA GLU A 21 8.959 3.617 10.060 1.00 0.24 C ATOM 338 C GLU A 21 8.910 2.332 9.227 1.00 0.22 C ATOM 339 O GLU A 21 9.606 1.358 9.533 1.00 0.23 O ATOM 340 CB GLU A 21 8.088 3.465 11.306 1.00 0.27 C ATOM 341 CG GLU A 21 6.645 3.123 11.000 1.00 0.35 C ATOM 342 CD GLU A 21 5.870 2.746 12.238 1.00 0.73 C ATOM 343 OE1 GLU A 21 5.968 1.577 12.665 1.00 1.30 O ATOM 344 OE2 GLU A 21 5.156 3.609 12.785 1.00 1.32 O ATOM 0 H GLU A 21 7.662 5.194 9.578 1.00 0.24 H new ATOM 0 HA GLU A 21 9.992 3.782 10.366 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.510 2.686 11.941 1.00 0.27 H new ATOM 0 HB3 GLU A 21 8.119 4.393 11.876 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.166 3.976 10.520 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.613 2.298 10.289 1.00 0.35 H new ATOM 351 N ILE A 22 8.138 2.337 8.146 1.00 0.23 N ATOM 352 CA ILE A 22 8.030 1.152 7.313 1.00 0.25 C ATOM 353 C ILE A 22 9.146 1.201 6.289 1.00 0.24 C ATOM 354 O ILE A 22 9.895 0.244 6.130 1.00 0.25 O ATOM 355 CB ILE A 22 6.657 1.031 6.620 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.548 0.980 7.671 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.608 -0.211 5.740 1.00 0.35 C ATOM 358 CD1 ILE A 22 4.941 2.325 7.988 1.00 0.25 C ATOM 0 H ILE A 22 7.587 3.136 7.832 1.00 0.23 H new ATOM 0 HA ILE A 22 8.121 0.269 7.946 1.00 0.25 H new ATOM 0 HB ILE A 22 6.507 1.905 5.986 1.00 0.29 H new ATOM 0 HG12 ILE A 22 4.761 0.311 7.322 1.00 0.27 H new ATOM 0 HG13 ILE A 22 5.950 0.549 8.588 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.632 -0.279 5.260 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.384 -0.147 4.977 1.00 0.35 H new ATOM 0 HG23 ILE A 22 6.773 -1.097 6.352 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.163 2.204 8.742 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.714 2.993 8.368 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.507 2.751 7.083 1.00 0.25 H new ATOM 370 N ARG A 23 9.271 2.355 5.632 1.00 0.23 N ATOM 371 CA ARG A 23 10.434 2.663 4.800 1.00 0.22 C ATOM 372 C ARG A 23 11.714 2.430 5.596 1.00 0.23 C ATOM 373 O ARG A 23 12.746 2.030 5.060 1.00 0.24 O ATOM 374 CB ARG A 23 10.335 4.120 4.305 1.00 0.24 C ATOM 375 CG ARG A 23 11.665 4.860 4.198 1.00 0.48 C ATOM 376 CD ARG A 23 12.098 5.422 5.543 1.00 0.39 C ATOM 377 NE ARG A 23 13.371 6.138 5.491 1.00 0.82 N ATOM 378 CZ ARG A 23 13.527 7.412 5.856 1.00 0.96 C ATOM 379 NH1 ARG A 23 12.466 8.155 6.131 1.00 1.34 N ATOM 380 NH2 ARG A 23 14.742 7.948 5.901 1.00 1.50 N ATOM 0 H ARG A 23 8.573 3.098 5.661 1.00 0.23 H new ATOM 0 HA ARG A 23 10.457 2.006 3.931 1.00 0.22 H new ATOM 0 HB2 ARG A 23 9.856 4.123 3.326 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.683 4.673 4.981 1.00 0.24 H new ATOM 0 HG2 ARG A 23 12.431 4.182 3.822 1.00 0.48 H new ATOM 0 HG3 ARG A 23 11.575 5.671 3.475 1.00 0.48 H new ATOM 0 HD2 ARG A 23 11.325 6.096 5.912 1.00 0.39 H new ATOM 0 HD3 ARG A 23 12.178 4.606 6.261 1.00 0.39 H new ATOM 0 HE ARG A 23 14.191 5.633 5.155 1.00 0.82 H new ATOM 0 HH11 ARG A 23 11.531 7.753 6.064 1.00 1.34 H new ATOM 0 HH12 ARG A 23 12.584 9.129 6.410 1.00 1.34 H new ATOM 0 HH21 ARG A 23 15.557 7.385 5.656 1.00 1.50 H new ATOM 0 HH22 ARG A 23 14.860 8.922 6.180 1.00 1.50 H new ATOM 394 N ARG A 24 11.625 2.714 6.882 1.00 0.24 N ATOM 395 CA ARG A 24 12.717 2.508 7.807 1.00 0.27 C ATOM 396 C ARG A 24 13.108 1.046 7.866 1.00 0.29 C ATOM 397 O ARG A 24 14.284 0.714 7.707 1.00 0.32 O ATOM 398 CB ARG A 24 12.338 3.036 9.190 1.00 0.31 C ATOM 399 CG ARG A 24 12.922 2.250 10.342 1.00 0.39 C ATOM 400 CD ARG A 24 12.894 3.061 11.626 1.00 0.45 C ATOM 401 NE ARG A 24 13.810 4.199 11.576 1.00 1.39 N ATOM 402 CZ ARG A 24 14.185 4.904 12.642 1.00 1.90 C ATOM 403 NH1 ARG A 24 13.714 4.601 13.849 1.00 1.52 N ATOM 404 NH2 ARG A 24 15.036 5.911 12.497 1.00 2.96 N ATOM 0 H ARG A 24 10.785 3.097 7.315 1.00 0.24 H new ATOM 0 HA ARG A 24 13.585 3.064 7.453 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.665 4.073 9.271 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.252 3.036 9.280 1.00 0.31 H new ATOM 0 HG2 ARG A 24 12.359 1.327 10.479 1.00 0.39 H new ATOM 0 HG3 ARG A 24 13.948 1.966 10.110 1.00 0.39 H new ATOM 0 HD2 ARG A 24 11.880 3.419 11.806 1.00 0.45 H new ATOM 0 HD3 ARG A 24 13.159 2.419 12.466 1.00 0.45 H new ATOM 0 HE ARG A 24 14.186 4.470 10.667 1.00 1.39 H new ATOM 0 HH11 ARG A 24 13.062 3.825 13.962 1.00 1.52 H new ATOM 0 HH12 ARG A 24 14.005 5.145 14.661 1.00 1.52 H new ATOM 0 HH21 ARG A 24 15.400 6.142 11.573 1.00 2.96 H new ATOM 0 HH22 ARG A 24 15.327 6.454 13.310 1.00 2.96 H new ATOM 418 N THR A 25 12.144 0.157 8.090 1.00 0.29 N ATOM 419 CA THR A 25 12.424 -1.267 8.057 1.00 0.31 C ATOM 420 C THR A 25 12.832 -1.704 6.644 1.00 0.30 C ATOM 421 O THR A 25 13.576 -2.669 6.460 1.00 0.33 O ATOM 422 CB THR A 25 11.181 -2.058 8.511 1.00 0.34 C ATOM 423 OG1 THR A 25 10.719 -1.550 9.770 1.00 0.36 O ATOM 424 CG2 THR A 25 11.489 -3.541 8.646 1.00 0.40 C ATOM 0 H THR A 25 11.174 0.398 8.294 1.00 0.29 H new ATOM 0 HA THR A 25 13.250 -1.473 8.737 1.00 0.31 H new ATOM 0 HB THR A 25 10.407 -1.936 7.753 1.00 0.34 H new ATOM 0 HG1 THR A 25 10.252 -0.700 9.628 1.00 0.36 H new ATOM 0 HG21 THR A 25 10.592 -4.071 8.968 1.00 0.40 H new ATOM 0 HG22 THR A 25 11.817 -3.934 7.684 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.279 -3.683 9.384 1.00 0.40 H new ATOM 432 N LEU A 26 12.334 -0.970 5.654 1.00 0.27 N ATOM 433 CA LEU A 26 12.696 -1.182 4.254 1.00 0.28 C ATOM 434 C LEU A 26 14.176 -0.879 4.013 1.00 0.31 C ATOM 435 O LEU A 26 14.747 -1.330 3.019 1.00 0.36 O ATOM 436 CB LEU A 26 11.835 -0.285 3.351 1.00 0.25 C ATOM 437 CG LEU A 26 10.654 -0.964 2.652 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.143 -2.106 1.790 1.00 0.32 C ATOM 439 CD2 LEU A 26 9.630 -1.465 3.654 1.00 0.26 C ATOM 0 H LEU A 26 11.668 -0.211 5.798 1.00 0.27 H new ATOM 0 HA LEU A 26 12.516 -2.230 4.014 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.450 0.538 3.953 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.479 0.152 2.588 1.00 0.25 H new ATOM 0 HG LEU A 26 10.168 -0.221 2.019 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.294 -2.580 1.299 1.00 0.32 H new ATOM 0 HD12 LEU A 26 11.831 -1.724 1.036 1.00 0.32 H new ATOM 0 HD13 LEU A 26 11.657 -2.838 2.413 1.00 0.32 H new ATOM 0 HD21 LEU A 26 8.805 -1.941 3.124 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.098 -2.188 4.322 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.250 -0.626 4.237 1.00 0.26 H new ATOM 451 N ARG A 27 14.782 -0.125 4.940 1.00 0.32 N ATOM 452 CA ARG A 27 16.160 0.363 4.811 1.00 0.40 C ATOM 453 C ARG A 27 16.258 1.453 3.750 1.00 0.39 C ATOM 454 O ARG A 27 17.349 1.824 3.317 1.00 0.46 O ATOM 455 CB ARG A 27 17.133 -0.769 4.475 1.00 0.51 C ATOM 456 CG ARG A 27 17.717 -1.484 5.681 1.00 0.78 C ATOM 457 CD ARG A 27 16.677 -2.301 6.424 1.00 0.90 C ATOM 458 NE ARG A 27 17.281 -3.091 7.495 1.00 1.76 N ATOM 459 CZ ARG A 27 17.085 -4.397 7.659 1.00 2.28 C ATOM 460 NH1 ARG A 27 16.248 -5.054 6.863 1.00 2.36 N ATOM 461 NH2 ARG A 27 17.722 -5.040 8.627 1.00 3.20 N ATOM 0 H ARG A 27 14.326 0.165 5.805 1.00 0.32 H new ATOM 0 HA ARG A 27 16.439 0.781 5.778 1.00 0.40 H new ATOM 0 HB2 ARG A 27 16.618 -1.499 3.851 1.00 0.51 H new ATOM 0 HB3 ARG A 27 17.951 -0.362 3.880 1.00 0.51 H new ATOM 0 HG2 ARG A 27 18.526 -2.138 5.356 1.00 0.78 H new ATOM 0 HG3 ARG A 27 18.153 -0.751 6.360 1.00 0.78 H new ATOM 0 HD2 ARG A 27 15.922 -1.636 6.843 1.00 0.90 H new ATOM 0 HD3 ARG A 27 16.166 -2.964 5.725 1.00 0.90 H new ATOM 0 HE ARG A 27 17.890 -2.612 8.158 1.00 1.76 H new ATOM 0 HH11 ARG A 27 15.753 -4.557 6.123 1.00 2.36 H new ATOM 0 HH12 ARG A 27 16.101 -6.055 6.992 1.00 2.36 H new ATOM 0 HH21 ARG A 27 18.359 -4.534 9.242 1.00 3.20 H new ATOM 0 HH22 ARG A 27 17.575 -6.041 8.757 1.00 3.20 H new ATOM 475 N ILE A 28 15.112 1.980 3.361 1.00 0.33 N ATOM 476 CA ILE A 28 15.042 2.963 2.292 1.00 0.33 C ATOM 477 C ILE A 28 14.694 4.330 2.874 1.00 0.31 C ATOM 478 O ILE A 28 14.937 4.578 4.057 1.00 0.34 O ATOM 479 CB ILE A 28 14.014 2.517 1.228 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.070 0.991 1.103 1.00 0.44 C ATOM 481 CG2 ILE A 28 14.339 3.143 -0.132 1.00 0.38 C ATOM 482 CD1 ILE A 28 13.177 0.410 0.038 1.00 0.48 C ATOM 0 H ILE A 28 14.209 1.742 3.772 1.00 0.33 H new ATOM 0 HA ILE A 28 16.012 3.042 1.801 1.00 0.33 H new ATOM 0 HB ILE A 28 13.019 2.842 1.533 1.00 0.36 H new ATOM 0 HG12 ILE A 28 15.098 0.695 0.896 1.00 0.44 H new ATOM 0 HG13 ILE A 28 13.799 0.552 2.063 1.00 0.44 H new ATOM 0 HG21 ILE A 28 13.604 2.817 -0.868 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.311 4.229 -0.048 1.00 0.38 H new ATOM 0 HG23 ILE A 28 15.333 2.829 -0.449 1.00 0.38 H new ATOM 0 HD11 ILE A 28 13.285 -0.675 0.025 1.00 0.48 H new ATOM 0 HD12 ILE A 28 12.140 0.669 0.252 1.00 0.48 H new ATOM 0 HD13 ILE A 28 13.459 0.815 -0.934 1.00 0.48 H new ATOM 494 N ARG A 29 14.145 5.209 2.049 1.00 0.32 N ATOM 495 CA ARG A 29 13.833 6.579 2.440 1.00 0.32 C ATOM 496 C ARG A 29 12.836 7.188 1.473 1.00 0.30 C ATOM 497 O ARG A 29 12.064 6.466 0.841 1.00 0.28 O ATOM 498 CB ARG A 29 15.121 7.421 2.529 1.00 0.40 C ATOM 499 CG ARG A 29 16.122 7.160 1.412 1.00 0.58 C ATOM 500 CD ARG A 29 15.587 7.594 0.065 1.00 0.64 C ATOM 501 NE ARG A 29 16.475 7.214 -1.027 1.00 0.92 N ATOM 502 CZ ARG A 29 16.651 7.937 -2.130 1.00 1.58 C ATOM 503 NH1 ARG A 29 16.034 9.105 -2.270 1.00 2.40 N ATOM 504 NH2 ARG A 29 17.465 7.497 -3.080 1.00 1.98 N ATOM 0 H ARG A 29 13.901 4.992 1.083 1.00 0.32 H new ATOM 0 HA ARG A 29 13.376 6.569 3.429 1.00 0.32 H new ATOM 0 HB2 ARG A 29 14.851 8.477 2.519 1.00 0.40 H new ATOM 0 HB3 ARG A 29 15.604 7.224 3.486 1.00 0.40 H new ATOM 0 HG2 ARG A 29 17.049 7.692 1.623 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.364 6.098 1.382 1.00 0.58 H new ATOM 0 HD2 ARG A 29 14.605 7.148 -0.095 1.00 0.64 H new ATOM 0 HD3 ARG A 29 15.451 8.675 0.061 1.00 0.64 H new ATOM 0 HE ARG A 29 16.993 6.340 -0.940 1.00 0.92 H new ATOM 0 HH11 ARG A 29 15.423 9.451 -1.530 1.00 2.40 H new ATOM 0 HH12 ARG A 29 16.172 9.656 -3.117 1.00 2.40 H new ATOM 0 HH21 ARG A 29 17.952 6.609 -2.963 1.00 1.98 H new ATOM 0 HH22 ARG A 29 17.604 8.047 -3.928 1.00 1.98 H new ATOM 518 N GLU A 30 12.859 8.509 1.355 1.00 0.34 N ATOM 519 CA GLU A 30 11.988 9.234 0.433 1.00 0.36 C ATOM 520 C GLU A 30 12.407 9.020 -1.017 1.00 0.35 C ATOM 521 O GLU A 30 12.476 9.948 -1.821 1.00 0.44 O ATOM 522 CB GLU A 30 11.989 10.715 0.781 1.00 0.45 C ATOM 523 CG GLU A 30 11.105 11.028 1.964 1.00 0.50 C ATOM 524 CD GLU A 30 11.687 10.594 3.296 1.00 0.62 C ATOM 525 OE1 GLU A 30 12.558 11.309 3.835 1.00 1.23 O ATOM 526 OE2 GLU A 30 11.262 9.545 3.823 1.00 1.08 O ATOM 0 H GLU A 30 13.481 9.110 1.895 1.00 0.34 H new ATOM 0 HA GLU A 30 10.976 8.843 0.539 1.00 0.36 H new ATOM 0 HB2 GLU A 30 13.008 11.034 0.998 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.653 11.289 -0.083 1.00 0.45 H new ATOM 0 HG2 GLU A 30 10.919 12.102 1.992 1.00 0.50 H new ATOM 0 HG3 GLU A 30 10.140 10.541 1.824 1.00 0.50 H new ATOM 533 N GLY A 31 12.685 7.768 -1.323 1.00 0.30 N ATOM 534 CA GLY A 31 13.052 7.352 -2.653 1.00 0.30 C ATOM 535 C GLY A 31 12.867 5.858 -2.811 1.00 0.30 C ATOM 536 O GLY A 31 13.626 5.192 -3.513 1.00 0.36 O ATOM 0 H GLY A 31 12.661 7.007 -0.645 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.442 7.879 -3.387 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.090 7.619 -2.850 1.00 0.30 H new ATOM 540 N ASP A 32 11.852 5.340 -2.131 1.00 0.28 N ATOM 541 CA ASP A 32 11.475 3.930 -2.221 1.00 0.31 C ATOM 542 C ASP A 32 10.379 3.756 -3.263 1.00 0.28 C ATOM 543 O ASP A 32 9.307 4.357 -3.165 1.00 0.31 O ATOM 544 CB ASP A 32 10.999 3.430 -0.857 1.00 0.38 C ATOM 545 CG ASP A 32 10.493 1.997 -0.878 1.00 0.43 C ATOM 546 OD1 ASP A 32 10.876 1.233 -1.788 1.00 1.07 O ATOM 547 OD2 ASP A 32 9.724 1.632 0.033 1.00 1.26 O ATOM 0 H ASP A 32 11.264 5.884 -1.500 1.00 0.28 H new ATOM 0 HA ASP A 32 12.343 3.343 -2.523 1.00 0.31 H new ATOM 0 HB2 ASP A 32 11.820 3.506 -0.144 1.00 0.38 H new ATOM 0 HB3 ASP A 32 10.203 4.082 -0.497 1.00 0.38 H new ATOM 552 N PRO A 33 10.667 2.969 -4.291 1.00 0.23 N ATOM 553 CA PRO A 33 9.769 2.733 -5.407 1.00 0.26 C ATOM 554 C PRO A 33 8.810 1.590 -5.190 1.00 0.47 C ATOM 555 O PRO A 33 8.860 0.618 -5.910 1.00 1.30 O ATOM 556 CB PRO A 33 10.695 2.319 -6.545 1.00 0.22 C ATOM 557 CG PRO A 33 12.072 2.193 -5.952 1.00 0.14 C ATOM 558 CD PRO A 33 11.916 2.243 -4.457 1.00 0.23 C ATOM 0 HA PRO A 33 9.163 3.623 -5.578 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.373 1.374 -6.982 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.683 3.060 -7.344 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.540 1.258 -6.259 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.716 3.001 -6.299 1.00 0.14 H new ATOM 0 HD2 PRO A 33 11.865 1.245 -4.021 1.00 0.23 H new ATOM 0 HD3 PRO A 33 12.750 2.757 -3.980 1.00 0.23 H new ATOM 566 N LEU A 34 7.935 1.680 -4.244 1.00 0.29 N ATOM 567 CA LEU A 34 7.067 0.556 -4.007 1.00 0.21 C ATOM 568 C LEU A 34 6.144 0.289 -5.197 1.00 0.22 C ATOM 569 O LEU A 34 5.786 1.177 -5.953 1.00 0.27 O ATOM 570 CB LEU A 34 6.239 0.717 -2.726 1.00 0.23 C ATOM 571 CG LEU A 34 6.962 1.337 -1.530 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.774 2.849 -1.507 1.00 0.38 C ATOM 573 CD2 LEU A 34 6.464 0.719 -0.233 1.00 0.38 C ATOM 0 H LEU A 34 7.797 2.487 -3.636 1.00 0.29 H new ATOM 0 HA LEU A 34 7.722 -0.306 -3.877 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.368 1.331 -2.956 1.00 0.23 H new ATOM 0 HB3 LEU A 34 5.869 -0.265 -2.431 1.00 0.23 H new ATOM 0 HG LEU A 34 8.027 1.129 -1.629 1.00 0.31 H new ATOM 0 HD11 LEU A 34 7.297 3.268 -0.647 1.00 0.38 H new ATOM 0 HD12 LEU A 34 7.178 3.280 -2.423 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.712 3.083 -1.434 1.00 0.38 H new ATOM 0 HD21 LEU A 34 6.988 1.170 0.610 1.00 0.38 H new ATOM 0 HD22 LEU A 34 5.393 0.897 -0.132 1.00 0.38 H new ATOM 0 HD23 LEU A 34 6.653 -0.354 -0.245 1.00 0.38 H new ATOM 585 N GLU A 35 5.742 -0.956 -5.274 1.00 0.20 N ATOM 586 CA GLU A 35 4.957 -1.478 -6.378 1.00 0.20 C ATOM 587 C GLU A 35 3.573 -1.748 -5.883 1.00 0.16 C ATOM 588 O GLU A 35 3.403 -2.619 -5.054 1.00 0.16 O ATOM 589 CB GLU A 35 5.544 -2.775 -6.937 1.00 0.22 C ATOM 590 CG GLU A 35 4.699 -3.387 -8.051 1.00 0.23 C ATOM 591 CD GLU A 35 5.187 -4.752 -8.484 1.00 0.34 C ATOM 592 OE1 GLU A 35 6.360 -4.883 -8.876 1.00 1.12 O ATOM 593 OE2 GLU A 35 4.399 -5.718 -8.402 1.00 0.95 O ATOM 0 H GLU A 35 5.953 -1.653 -4.559 1.00 0.20 H new ATOM 0 HA GLU A 35 4.959 -0.739 -7.180 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.547 -2.578 -7.317 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.646 -3.498 -6.128 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.666 -3.467 -7.713 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.702 -2.717 -8.911 1.00 0.23 H new ATOM 600 N ILE A 36 2.608 -1.002 -6.380 1.00 0.14 N ATOM 601 CA ILE A 36 1.230 -1.147 -5.965 1.00 0.11 C ATOM 602 C ILE A 36 0.572 -2.257 -6.761 1.00 0.10 C ATOM 603 O ILE A 36 0.361 -2.129 -7.970 1.00 0.14 O ATOM 604 CB ILE A 36 0.436 0.175 -6.169 1.00 0.12 C ATOM 605 CG1 ILE A 36 0.893 1.261 -5.187 1.00 0.15 C ATOM 606 CG2 ILE A 36 -1.063 -0.051 -6.033 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.258 1.841 -5.482 1.00 0.39 C ATOM 0 H ILE A 36 2.758 -0.278 -7.083 1.00 0.14 H new ATOM 0 HA ILE A 36 1.221 -1.392 -4.903 1.00 0.11 H new ATOM 0 HB ILE A 36 0.644 0.517 -7.183 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.161 2.068 -5.192 1.00 0.15 H new ATOM 0 HG13 ILE A 36 0.900 0.843 -4.180 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.588 0.893 -6.181 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.392 -0.771 -6.782 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.284 -0.437 -5.038 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.499 2.600 -4.738 1.00 0.39 H new ATOM 0 HD12 ILE A 36 3.005 1.048 -5.447 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.255 2.293 -6.474 1.00 0.39 H new ATOM 619 N PHE A 37 0.294 -3.359 -6.096 1.00 0.09 N ATOM 620 CA PHE A 37 -0.414 -4.451 -6.722 1.00 0.10 C ATOM 621 C PHE A 37 -1.240 -5.192 -5.686 1.00 0.09 C ATOM 622 O PHE A 37 -0.724 -5.666 -4.686 1.00 0.09 O ATOM 623 CB PHE A 37 0.566 -5.378 -7.469 1.00 0.12 C ATOM 624 CG PHE A 37 1.011 -6.606 -6.717 1.00 0.16 C ATOM 625 CD1 PHE A 37 0.266 -7.775 -6.763 1.00 1.10 C ATOM 626 CD2 PHE A 37 2.175 -6.596 -5.972 1.00 1.12 C ATOM 627 CE1 PHE A 37 0.671 -8.904 -6.080 1.00 1.15 C ATOM 628 CE2 PHE A 37 2.585 -7.724 -5.287 1.00 1.12 C ATOM 629 CZ PHE A 37 1.833 -8.879 -5.342 1.00 0.35 C ATOM 0 H PHE A 37 0.549 -3.520 -5.122 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.102 -4.057 -7.469 1.00 0.10 H new ATOM 0 HB2 PHE A 37 0.097 -5.696 -8.400 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.450 -4.800 -7.738 1.00 0.12 H new ATOM 0 HD1 PHE A 37 -0.645 -7.802 -7.342 1.00 1.10 H new ATOM 0 HD2 PHE A 37 2.771 -5.697 -5.925 1.00 1.12 H new ATOM 0 HE1 PHE A 37 0.078 -9.805 -6.124 1.00 1.15 H new ATOM 0 HE2 PHE A 37 3.496 -7.701 -4.707 1.00 1.12 H new ATOM 0 HZ PHE A 37 2.155 -9.761 -4.808 1.00 0.35 H new ATOM 639 N VAL A 38 -2.531 -5.250 -5.912 1.00 0.09 N ATOM 640 CA VAL A 38 -3.423 -5.934 -4.990 1.00 0.09 C ATOM 641 C VAL A 38 -3.383 -7.430 -5.230 1.00 0.11 C ATOM 642 O VAL A 38 -3.398 -7.894 -6.371 1.00 0.17 O ATOM 643 CB VAL A 38 -4.874 -5.399 -5.099 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.288 -5.259 -6.557 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.860 -6.296 -4.353 1.00 0.11 C ATOM 0 H VAL A 38 -2.992 -4.835 -6.722 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.075 -5.733 -3.977 1.00 0.09 H new ATOM 0 HB VAL A 38 -4.896 -4.415 -4.631 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.309 -4.882 -6.611 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.617 -4.563 -7.060 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.234 -6.232 -7.046 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.867 -5.890 -4.451 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.831 -7.300 -4.776 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.587 -6.339 -3.299 1.00 0.11 H new ATOM 655 N ASP A 39 -3.316 -8.169 -4.137 1.00 0.09 N ATOM 656 CA ASP A 39 -3.126 -9.606 -4.197 1.00 0.12 C ATOM 657 C ASP A 39 -4.450 -10.338 -4.355 1.00 0.16 C ATOM 658 O ASP A 39 -4.554 -11.300 -5.115 1.00 0.18 O ATOM 659 CB ASP A 39 -2.425 -10.104 -2.928 1.00 0.19 C ATOM 660 CG ASP A 39 -1.902 -11.522 -3.079 1.00 0.23 C ATOM 661 OD1 ASP A 39 -0.789 -11.694 -3.616 1.00 1.04 O ATOM 662 OD2 ASP A 39 -2.601 -12.472 -2.668 1.00 1.11 O ATOM 0 H ASP A 39 -3.391 -7.794 -3.191 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.506 -9.816 -5.069 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -1.597 -9.437 -2.687 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.121 -10.063 -2.091 1.00 0.19 H new ATOM 667 N ARG A 40 -5.470 -9.866 -3.645 1.00 0.32 N ATOM 668 CA ARG A 40 -6.662 -10.673 -3.424 1.00 0.43 C ATOM 669 C ARG A 40 -7.950 -9.911 -3.703 1.00 0.43 C ATOM 670 O ARG A 40 -8.534 -10.029 -4.779 1.00 0.49 O ATOM 671 CB ARG A 40 -6.653 -11.178 -1.996 1.00 0.53 C ATOM 672 CG ARG A 40 -5.265 -11.184 -1.424 1.00 0.53 C ATOM 673 CD ARG A 40 -5.261 -11.666 -0.017 1.00 0.72 C ATOM 674 NE ARG A 40 -5.393 -13.115 0.095 1.00 1.09 N ATOM 675 CZ ARG A 40 -5.593 -13.746 1.249 1.00 1.66 C ATOM 676 NH1 ARG A 40 -5.693 -13.048 2.378 1.00 2.22 N ATOM 677 NH2 ARG A 40 -5.694 -15.070 1.275 1.00 2.29 N ATOM 0 H ARG A 40 -5.495 -8.940 -3.218 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.637 -11.506 -4.126 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.298 -10.549 -1.382 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -7.066 -12.186 -1.963 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -4.622 -11.822 -2.031 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -4.848 -10.178 -1.467 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -4.334 -11.354 0.464 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -6.078 -11.190 0.525 1.00 0.72 H new ATOM 0 HE ARG A 40 -5.329 -13.673 -0.756 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -5.616 -12.031 2.357 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -5.846 -13.530 3.264 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -5.618 -15.604 0.409 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -5.847 -15.552 2.160 1.00 2.29 H new ATOM 691 N ASP A 41 -8.375 -9.124 -2.730 1.00 0.47 N ATOM 692 CA ASP A 41 -9.635 -8.397 -2.823 1.00 0.52 C ATOM 693 C ASP A 41 -9.388 -6.918 -2.672 1.00 0.43 C ATOM 694 O ASP A 41 -9.570 -6.136 -3.604 1.00 0.50 O ATOM 695 CB ASP A 41 -10.603 -8.863 -1.728 1.00 0.57 C ATOM 696 CG ASP A 41 -11.905 -8.074 -1.707 1.00 0.96 C ATOM 697 OD1 ASP A 41 -12.850 -8.453 -2.435 1.00 1.53 O ATOM 698 OD2 ASP A 41 -12.002 -7.084 -0.944 1.00 1.34 O ATOM 0 H ASP A 41 -7.865 -8.970 -1.860 1.00 0.47 H new ATOM 0 HA ASP A 41 -10.077 -8.596 -3.799 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -10.828 -9.919 -1.875 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -10.115 -8.773 -0.758 1.00 0.57 H new ATOM 703 N GLY A 42 -8.948 -6.550 -1.489 1.00 0.32 N ATOM 704 CA GLY A 42 -8.707 -5.164 -1.192 1.00 0.26 C ATOM 705 C GLY A 42 -7.377 -4.964 -0.523 1.00 0.18 C ATOM 706 O GLY A 42 -7.109 -3.902 0.021 1.00 0.18 O ATOM 0 H GLY A 42 -8.752 -7.193 -0.722 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.742 -4.583 -2.113 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.500 -4.787 -0.546 1.00 0.26 H new ATOM 710 N GLU A 43 -6.549 -5.998 -0.547 1.00 0.15 N ATOM 711 CA GLU A 43 -5.217 -5.904 0.016 1.00 0.12 C ATOM 712 C GLU A 43 -4.254 -5.500 -1.078 1.00 0.08 C ATOM 713 O GLU A 43 -3.947 -6.295 -1.963 1.00 0.09 O ATOM 714 CB GLU A 43 -4.759 -7.232 0.632 1.00 0.14 C ATOM 715 CG GLU A 43 -5.884 -8.074 1.204 1.00 0.53 C ATOM 716 CD GLU A 43 -5.483 -8.795 2.479 1.00 1.00 C ATOM 717 OE1 GLU A 43 -5.411 -8.138 3.538 1.00 1.97 O ATOM 718 OE2 GLU A 43 -5.246 -10.020 2.430 1.00 1.30 O ATOM 0 H GLU A 43 -6.778 -6.907 -0.949 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.235 -5.160 0.812 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -4.237 -7.812 -0.129 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -4.038 -7.023 1.423 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -6.744 -7.436 1.407 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -6.199 -8.806 0.461 1.00 0.53 H new ATOM 725 N VAL A 44 -3.819 -4.256 -1.040 1.00 0.07 N ATOM 726 CA VAL A 44 -2.858 -3.760 -2.001 1.00 0.07 C ATOM 727 C VAL A 44 -1.462 -3.995 -1.477 1.00 0.07 C ATOM 728 O VAL A 44 -1.155 -3.660 -0.348 1.00 0.08 O ATOM 729 CB VAL A 44 -3.015 -2.258 -2.283 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.383 -1.912 -3.622 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.478 -1.834 -2.239 1.00 0.12 C ATOM 0 H VAL A 44 -4.119 -3.568 -0.349 1.00 0.07 H new ATOM 0 HA VAL A 44 -3.036 -4.299 -2.932 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.497 -1.705 -1.500 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.499 -0.845 -3.814 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.323 -2.164 -3.600 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -2.874 -2.479 -4.413 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.554 -0.766 -2.443 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -5.040 -2.387 -2.991 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.888 -2.045 -1.251 1.00 0.12 H new ATOM 741 N ILE A 45 -0.625 -4.548 -2.303 1.00 0.08 N ATOM 742 CA ILE A 45 0.711 -4.903 -1.902 1.00 0.08 C ATOM 743 C ILE A 45 1.670 -3.951 -2.575 1.00 0.11 C ATOM 744 O ILE A 45 1.722 -3.907 -3.795 1.00 0.14 O ATOM 745 CB ILE A 45 1.066 -6.346 -2.308 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.298 -7.373 -1.461 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.569 -6.580 -2.184 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.205 -7.295 -1.546 1.00 0.08 C ATOM 0 H ILE A 45 -0.845 -4.767 -3.274 1.00 0.08 H new ATOM 0 HA ILE A 45 0.780 -4.838 -0.816 1.00 0.08 H new ATOM 0 HB ILE A 45 0.770 -6.480 -3.349 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.610 -8.373 -1.764 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.592 -7.250 -0.419 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.803 -7.604 -2.475 1.00 0.11 H new ATOM 0 HG22 ILE A 45 3.100 -5.887 -2.837 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.879 -6.416 -1.152 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.646 -8.063 -0.911 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.538 -6.312 -1.211 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.520 -7.453 -2.578 1.00 0.08 H new ATOM 760 N LEU A 46 2.367 -3.165 -1.782 1.00 0.11 N ATOM 761 CA LEU A 46 3.356 -2.218 -2.282 1.00 0.13 C ATOM 762 C LEU A 46 4.748 -2.736 -1.978 1.00 0.11 C ATOM 763 O LEU A 46 5.095 -2.888 -0.816 1.00 0.17 O ATOM 764 CB LEU A 46 3.175 -0.870 -1.586 1.00 0.20 C ATOM 765 CG LEU A 46 1.770 -0.611 -1.071 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.799 0.530 -0.077 1.00 0.19 C ATOM 767 CD2 LEU A 46 0.818 -0.304 -2.215 1.00 0.23 C ATOM 0 H LEU A 46 2.267 -3.161 -0.767 1.00 0.11 H new ATOM 0 HA LEU A 46 3.225 -2.101 -3.358 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.872 -0.811 -0.750 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.445 -0.076 -2.283 1.00 0.20 H new ATOM 0 HG LEU A 46 1.406 -1.510 -0.573 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.791 0.716 0.293 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.449 0.269 0.758 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.178 1.428 -0.565 1.00 0.19 H new ATOM 0 HD21 LEU A 46 -0.181 -0.123 -1.818 1.00 0.23 H new ATOM 0 HD22 LEU A 46 1.163 0.582 -2.748 1.00 0.23 H new ATOM 0 HD23 LEU A 46 0.788 -1.151 -2.901 1.00 0.23 H new ATOM 779 N LYS A 47 5.552 -3.006 -2.993 1.00 0.15 N ATOM 780 CA LYS A 47 6.907 -3.480 -2.724 1.00 0.27 C ATOM 781 C LYS A 47 7.967 -2.690 -3.487 1.00 0.16 C ATOM 782 O LYS A 47 7.770 -2.321 -4.627 1.00 0.15 O ATOM 783 CB LYS A 47 7.015 -4.990 -2.975 1.00 0.63 C ATOM 784 CG LYS A 47 7.851 -5.412 -4.174 1.00 0.29 C ATOM 785 CD LYS A 47 7.037 -5.512 -5.455 1.00 0.55 C ATOM 786 CE LYS A 47 5.734 -6.263 -5.238 1.00 0.69 C ATOM 787 NZ LYS A 47 5.380 -7.095 -6.418 1.00 0.76 N ATOM 0 H LYS A 47 5.307 -2.911 -3.978 1.00 0.15 H new ATOM 0 HA LYS A 47 7.110 -3.303 -1.668 1.00 0.27 H new ATOM 0 HB2 LYS A 47 7.434 -5.457 -2.084 1.00 0.63 H new ATOM 0 HB3 LYS A 47 6.009 -5.390 -3.101 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.659 -4.695 -4.318 1.00 0.29 H new ATOM 0 HG3 LYS A 47 8.314 -6.377 -3.967 1.00 0.29 H new ATOM 0 HD2 LYS A 47 6.822 -4.511 -5.828 1.00 0.55 H new ATOM 0 HD3 LYS A 47 7.625 -6.018 -6.221 1.00 0.55 H new ATOM 0 HE2 LYS A 47 5.822 -6.899 -4.357 1.00 0.69 H new ATOM 0 HE3 LYS A 47 4.932 -5.552 -5.039 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 4.376 -7.360 -6.367 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.552 -6.553 -7.289 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 5.965 -7.955 -6.424 1.00 0.76 H new ATOM 801 N LYS A 48 9.099 -2.503 -2.815 1.00 0.19 N ATOM 802 CA LYS A 48 10.222 -1.610 -3.197 1.00 0.15 C ATOM 803 C LYS A 48 10.619 -1.546 -4.695 1.00 0.14 C ATOM 804 O LYS A 48 11.419 -0.693 -5.067 1.00 0.17 O ATOM 805 CB LYS A 48 11.430 -2.053 -2.398 1.00 0.17 C ATOM 806 CG LYS A 48 11.522 -3.565 -2.313 1.00 0.19 C ATOM 807 CD LYS A 48 11.858 -4.034 -0.909 1.00 0.20 C ATOM 808 CE LYS A 48 13.282 -3.679 -0.514 1.00 0.21 C ATOM 809 NZ LYS A 48 13.670 -4.308 0.778 1.00 0.32 N ATOM 0 H LYS A 48 9.281 -2.991 -1.938 1.00 0.19 H new ATOM 0 HA LYS A 48 9.870 -0.601 -2.983 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.336 -1.659 -2.859 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.375 -1.635 -1.393 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.575 -4.004 -2.625 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.283 -3.922 -3.007 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.163 -3.584 -0.201 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.723 -5.114 -0.846 1.00 0.20 H new ATOM 0 HE2 LYS A 48 13.968 -4.003 -1.297 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.378 -2.596 -0.434 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 14.658 -4.630 0.725 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.573 -3.613 1.545 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 13.051 -5.122 0.968 1.00 0.32 H new ATOM 823 N TYR A 49 10.128 -2.464 -5.519 1.00 0.14 N ATOM 824 CA TYR A 49 10.345 -2.457 -6.981 1.00 0.16 C ATOM 825 C TYR A 49 11.780 -2.793 -7.384 1.00 0.17 C ATOM 826 O TYR A 49 12.018 -3.704 -8.175 1.00 0.24 O ATOM 827 CB TYR A 49 9.997 -1.120 -7.618 1.00 0.19 C ATOM 828 CG TYR A 49 10.351 -1.044 -9.093 1.00 0.24 C ATOM 829 CD1 TYR A 49 9.891 -2.003 -9.992 1.00 1.22 C ATOM 830 CD2 TYR A 49 11.154 -0.023 -9.582 1.00 1.03 C ATOM 831 CE1 TYR A 49 10.224 -1.944 -11.328 1.00 1.28 C ATOM 832 CE2 TYR A 49 11.488 0.043 -10.920 1.00 1.01 C ATOM 833 CZ TYR A 49 11.022 -0.920 -11.788 1.00 0.40 C ATOM 834 OH TYR A 49 11.357 -0.858 -13.122 1.00 0.49 O ATOM 0 H TYR A 49 9.560 -3.248 -5.198 1.00 0.14 H new ATOM 0 HA TYR A 49 9.675 -3.235 -7.346 1.00 0.16 H new ATOM 0 HB2 TYR A 49 8.929 -0.936 -7.498 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.519 -0.325 -7.085 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.263 -2.806 -9.636 1.00 1.22 H new ATOM 0 HD2 TYR A 49 11.524 0.732 -8.905 1.00 1.03 H new ATOM 0 HE1 TYR A 49 9.861 -2.697 -12.011 1.00 1.28 H new ATOM 0 HE2 TYR A 49 12.112 0.846 -11.284 1.00 1.01 H new ATOM 0 HH TYR A 49 11.924 -0.075 -13.281 1.00 0.49 H new ATOM 844 N SER A 50 12.718 -2.011 -6.870 1.00 0.19 N ATOM 845 CA SER A 50 14.122 -2.113 -7.238 1.00 0.25 C ATOM 846 C SER A 50 14.655 -3.550 -7.083 1.00 0.28 C ATOM 847 O SER A 50 15.212 -4.098 -8.031 1.00 0.34 O ATOM 848 CB SER A 50 14.924 -1.078 -6.440 1.00 0.37 C ATOM 849 OG SER A 50 14.727 0.220 -6.973 1.00 1.36 O ATOM 0 H SER A 50 12.525 -1.283 -6.182 1.00 0.19 H new ATOM 0 HA SER A 50 14.238 -1.885 -8.298 1.00 0.25 H new ATOM 0 HB2 SER A 50 14.617 -1.099 -5.394 1.00 0.37 H new ATOM 0 HB3 SER A 50 15.984 -1.331 -6.466 1.00 0.37 H new ATOM 0 HG SER A 50 15.244 0.869 -6.452 1.00 1.36 H new ATOM 855 N PRO A 51 14.486 -4.196 -5.910 1.00 0.32 N ATOM 856 CA PRO A 51 14.742 -5.631 -5.764 1.00 0.42 C ATOM 857 C PRO A 51 13.492 -6.458 -6.040 1.00 0.45 C ATOM 858 O PRO A 51 13.457 -7.663 -5.788 1.00 0.58 O ATOM 859 CB PRO A 51 15.114 -5.753 -4.304 1.00 0.52 C ATOM 860 CG PRO A 51 14.290 -4.708 -3.629 1.00 0.46 C ATOM 861 CD PRO A 51 14.084 -3.595 -4.626 1.00 0.36 C ATOM 0 HA PRO A 51 15.501 -5.992 -6.458 1.00 0.42 H new ATOM 0 HB2 PRO A 51 14.891 -6.748 -3.918 1.00 0.52 H new ATOM 0 HB3 PRO A 51 16.179 -5.582 -4.149 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.333 -5.120 -3.308 1.00 0.46 H new ATOM 0 HG3 PRO A 51 14.793 -4.337 -2.736 1.00 0.46 H new ATOM 0 HD2 PRO A 51 13.046 -3.263 -4.647 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.692 -2.723 -4.384 1.00 0.36 H new ATOM 869 N ILE A 52 12.473 -5.787 -6.570 1.00 0.37 N ATOM 870 CA ILE A 52 11.163 -6.382 -6.818 1.00 0.46 C ATOM 871 C ILE A 52 10.616 -6.994 -5.517 1.00 0.61 C ATOM 872 O ILE A 52 10.882 -6.467 -4.434 1.00 0.61 O ATOM 873 CB ILE A 52 11.236 -7.431 -7.956 1.00 0.62 C ATOM 874 CG1 ILE A 52 12.416 -7.122 -8.886 1.00 0.51 C ATOM 875 CG2 ILE A 52 9.939 -7.414 -8.759 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.593 -8.123 -10.004 1.00 0.69 C ATOM 0 H ILE A 52 12.534 -4.806 -6.842 1.00 0.37 H new ATOM 0 HA ILE A 52 10.475 -5.603 -7.146 1.00 0.46 H new ATOM 0 HB ILE A 52 11.378 -8.417 -7.514 1.00 0.62 H new ATOM 0 HG12 ILE A 52 12.276 -6.131 -9.318 1.00 0.51 H new ATOM 0 HG13 ILE A 52 13.332 -7.086 -8.296 1.00 0.51 H new ATOM 0 HG21 ILE A 52 9.996 -8.153 -9.558 1.00 0.78 H new ATOM 0 HG22 ILE A 52 9.102 -7.652 -8.103 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.791 -6.424 -9.191 1.00 0.78 H new ATOM 0 HD11 ILE A 52 13.447 -7.836 -10.618 1.00 0.69 H new ATOM 0 HD12 ILE A 52 12.766 -9.113 -9.582 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.694 -8.143 -10.620 1.00 0.69 H new ATOM 888 N SER A 53 9.849 -8.075 -5.606 1.00 0.85 N ATOM 889 CA SER A 53 9.309 -8.726 -4.411 1.00 1.06 C ATOM 890 C SER A 53 10.384 -9.546 -3.723 1.00 1.29 C ATOM 891 O SER A 53 10.266 -9.918 -2.551 1.00 1.96 O ATOM 892 CB SER A 53 8.137 -9.636 -4.780 1.00 1.21 C ATOM 893 OG SER A 53 6.986 -8.893 -5.115 1.00 1.67 O ATOM 0 H SER A 53 9.587 -8.519 -6.486 1.00 0.85 H new ATOM 0 HA SER A 53 8.959 -7.949 -3.732 1.00 1.06 H new ATOM 0 HB2 SER A 53 8.419 -10.270 -5.621 1.00 1.21 H new ATOM 0 HB3 SER A 53 7.912 -10.298 -3.943 1.00 1.21 H new ATOM 0 HG SER A 53 6.352 -8.918 -4.369 1.00 1.67 H new ATOM 899 N GLU A 54 11.433 -9.778 -4.477 1.00 1.17 N ATOM 900 CA GLU A 54 12.515 -10.669 -4.111 1.00 1.35 C ATOM 901 C GLU A 54 13.364 -10.860 -5.352 1.00 1.52 C ATOM 902 O GLU A 54 14.568 -10.605 -5.339 1.00 2.38 O ATOM 903 CB GLU A 54 11.966 -12.015 -3.635 1.00 1.52 C ATOM 904 CG GLU A 54 12.985 -12.891 -2.936 1.00 1.95 C ATOM 905 CD GLU A 54 12.395 -14.216 -2.520 1.00 2.29 C ATOM 906 OE1 GLU A 54 11.484 -14.220 -1.665 1.00 2.89 O ATOM 907 OE2 GLU A 54 12.821 -15.256 -3.059 1.00 2.47 O ATOM 0 H GLU A 54 11.563 -9.340 -5.389 1.00 1.17 H new ATOM 0 HA GLU A 54 13.101 -10.249 -3.294 1.00 1.35 H new ATOM 0 HB2 GLU A 54 11.132 -11.835 -2.956 1.00 1.52 H new ATOM 0 HB3 GLU A 54 11.567 -12.556 -4.493 1.00 1.52 H new ATOM 0 HG2 GLU A 54 13.832 -13.063 -3.600 1.00 1.95 H new ATOM 0 HG3 GLU A 54 13.368 -12.372 -2.057 1.00 1.95 H new ATOM 914 N LEU A 55 12.683 -11.307 -6.414 1.00 1.27 N ATOM 915 CA LEU A 55 13.215 -11.366 -7.774 1.00 1.43 C ATOM 916 C LEU A 55 12.338 -12.290 -8.608 1.00 2.04 C ATOM 917 O LEU A 55 12.767 -13.423 -8.909 1.00 2.28 O ATOM 918 CB LEU A 55 14.667 -11.849 -7.816 1.00 1.60 C ATOM 919 CG LEU A 55 15.583 -11.031 -8.729 1.00 1.53 C ATOM 920 CD1 LEU A 55 15.181 -11.194 -10.185 1.00 2.27 C ATOM 921 CD2 LEU A 55 15.544 -9.561 -8.325 1.00 1.11 C ATOM 922 OXT LEU A 55 11.197 -11.893 -8.917 1.00 2.65 O ATOM 0 H LEU A 55 11.723 -11.645 -6.346 1.00 1.27 H new ATOM 0 HA LEU A 55 13.205 -10.355 -8.181 1.00 1.43 H new ATOM 0 HB2 LEU A 55 15.072 -11.829 -6.804 1.00 1.60 H new ATOM 0 HB3 LEU A 55 14.681 -12.888 -8.145 1.00 1.60 H new ATOM 0 HG LEU A 55 16.602 -11.400 -8.618 1.00 1.53 H new ATOM 0 HD11 LEU A 55 15.846 -10.603 -10.815 1.00 2.27 H new ATOM 0 HD12 LEU A 55 15.253 -12.245 -10.467 1.00 2.27 H new ATOM 0 HD13 LEU A 55 14.155 -10.851 -10.320 1.00 2.27 H new ATOM 0 HD21 LEU A 55 16.199 -8.986 -8.980 1.00 1.11 H new ATOM 0 HD22 LEU A 55 14.524 -9.187 -8.412 1.00 1.11 H new ATOM 0 HD23 LEU A 55 15.881 -9.458 -7.294 1.00 1.11 H new TER 934 LEU A 55 ATOM 935 N MET B 1 -8.141 -12.375 -11.094 1.00 3.94 N ATOM 936 CA MET B 1 -6.674 -12.235 -11.234 1.00 3.42 C ATOM 937 C MET B 1 -6.284 -10.768 -11.141 1.00 2.74 C ATOM 938 O MET B 1 -6.523 -9.996 -12.071 1.00 3.34 O ATOM 939 CB MET B 1 -6.198 -12.812 -12.571 1.00 3.88 C ATOM 940 CG MET B 1 -6.375 -14.316 -12.694 1.00 4.32 C ATOM 941 SD MET B 1 -5.479 -15.228 -11.424 1.00 5.25 S ATOM 942 CE MET B 1 -5.755 -16.913 -11.963 1.00 6.17 C ATOM 0 H1 MET B 1 -8.395 -13.384 -11.090 1.00 3.94 H new ATOM 0 H2 MET B 1 -8.448 -11.938 -10.202 1.00 3.94 H new ATOM 0 H3 MET B 1 -8.613 -11.902 -11.891 1.00 3.94 H new ATOM 0 HA MET B 1 -6.197 -12.791 -10.427 1.00 3.42 H new ATOM 0 HB2 MET B 1 -6.743 -12.325 -13.380 1.00 3.88 H new ATOM 0 HB3 MET B 1 -5.144 -12.568 -12.705 1.00 3.88 H new ATOM 0 HG2 MET B 1 -7.436 -14.559 -12.630 1.00 4.32 H new ATOM 0 HG3 MET B 1 -6.033 -14.639 -13.677 1.00 4.32 H new ATOM 0 HE1 MET B 1 -5.261 -17.600 -11.276 1.00 6.17 H new ATOM 0 HE2 MET B 1 -6.825 -17.120 -11.976 1.00 6.17 H new ATOM 0 HE3 MET B 1 -5.347 -17.046 -12.965 1.00 6.17 H new ATOM 954 N LYS B 2 -5.701 -10.374 -10.017 1.00 1.78 N ATOM 955 CA LYS B 2 -5.307 -8.991 -9.821 1.00 1.13 C ATOM 956 C LYS B 2 -3.828 -8.789 -10.115 1.00 0.88 C ATOM 957 O LYS B 2 -3.334 -9.233 -11.154 1.00 1.16 O ATOM 958 CB LYS B 2 -5.659 -8.515 -8.406 1.00 0.55 C ATOM 959 CG LYS B 2 -7.158 -8.392 -8.166 1.00 1.01 C ATOM 960 CD LYS B 2 -7.838 -7.616 -9.291 1.00 1.83 C ATOM 961 CE LYS B 2 -7.319 -6.188 -9.401 1.00 2.68 C ATOM 962 NZ LYS B 2 -7.689 -5.563 -10.702 1.00 3.61 N ATOM 0 H LYS B 2 -5.492 -10.991 -9.232 1.00 1.78 H new ATOM 0 HA LYS B 2 -5.869 -8.383 -10.530 1.00 1.13 H new ATOM 0 HB2 LYS B 2 -5.238 -9.212 -7.681 1.00 0.55 H new ATOM 0 HB3 LYS B 2 -5.189 -7.548 -8.228 1.00 0.55 H new ATOM 0 HG2 LYS B 2 -7.599 -9.386 -8.089 1.00 1.01 H new ATOM 0 HG3 LYS B 2 -7.336 -7.889 -7.215 1.00 1.01 H new ATOM 0 HD2 LYS B 2 -7.676 -8.133 -10.237 1.00 1.83 H new ATOM 0 HD3 LYS B 2 -8.914 -7.597 -9.118 1.00 1.83 H new ATOM 0 HE2 LYS B 2 -7.722 -5.591 -8.583 1.00 2.68 H new ATOM 0 HE3 LYS B 2 -6.234 -6.186 -9.292 1.00 2.68 H new ATOM 0 HZ1 LYS B 2 -7.318 -4.592 -10.739 1.00 3.61 H new ATOM 0 HZ2 LYS B 2 -7.283 -6.118 -11.482 1.00 3.61 H new ATOM 0 HZ3 LYS B 2 -8.725 -5.542 -10.795 1.00 3.61 H new ATOM 976 N ALA B 3 -3.147 -8.118 -9.197 1.00 0.51 N ATOM 977 CA ALA B 3 -1.745 -7.736 -9.361 1.00 0.33 C ATOM 978 C ALA B 3 -1.593 -6.670 -10.435 1.00 0.42 C ATOM 979 O ALA B 3 -1.402 -6.965 -11.614 1.00 0.86 O ATOM 980 CB ALA B 3 -0.857 -8.943 -9.657 1.00 0.48 C ATOM 0 H ALA B 3 -3.552 -7.820 -8.310 1.00 0.51 H new ATOM 0 HA ALA B 3 -1.411 -7.314 -8.413 1.00 0.33 H new ATOM 0 HB1 ALA B 3 0.176 -8.615 -9.772 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -0.923 -9.654 -8.833 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -1.190 -9.423 -10.578 1.00 0.48 H new ATOM 986 N THR B 4 -1.690 -5.421 -10.011 1.00 0.24 N ATOM 987 CA THR B 4 -1.632 -4.292 -10.919 1.00 0.26 C ATOM 988 C THR B 4 -0.196 -3.937 -11.297 1.00 0.30 C ATOM 989 O THR B 4 0.109 -3.717 -12.467 1.00 0.43 O ATOM 990 CB THR B 4 -2.342 -3.084 -10.301 1.00 0.26 C ATOM 991 OG1 THR B 4 -1.941 -2.938 -8.933 1.00 0.27 O ATOM 992 CG2 THR B 4 -3.851 -3.255 -10.357 1.00 0.26 C ATOM 0 H THR B 4 -1.811 -5.164 -9.031 1.00 0.24 H new ATOM 0 HA THR B 4 -2.145 -4.577 -11.837 1.00 0.26 H new ATOM 0 HB THR B 4 -2.065 -2.197 -10.871 1.00 0.26 H new ATOM 0 HG1 THR B 4 -1.052 -2.527 -8.895 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.333 -2.384 -9.912 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.168 -3.354 -11.395 1.00 0.26 H new ATOM 0 HG23 THR B 4 -4.137 -4.150 -9.804 1.00 0.26 H new ATOM 1000 N GLY B 5 0.673 -3.889 -10.299 1.00 0.23 N ATOM 1001 CA GLY B 5 2.085 -3.669 -10.547 1.00 0.25 C ATOM 1002 C GLY B 5 2.392 -2.255 -10.990 1.00 0.26 C ATOM 1003 O GLY B 5 3.117 -2.046 -11.963 1.00 0.33 O ATOM 0 H GLY B 5 0.425 -3.999 -9.316 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.647 -3.890 -9.639 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.427 -4.366 -11.312 1.00 0.25 H new ATOM 1007 N ILE B 6 1.850 -1.287 -10.273 1.00 0.21 N ATOM 1008 CA ILE B 6 2.150 0.109 -10.540 1.00 0.22 C ATOM 1009 C ILE B 6 3.080 0.639 -9.457 1.00 0.19 C ATOM 1010 O ILE B 6 2.681 0.830 -8.313 1.00 0.16 O ATOM 1011 CB ILE B 6 0.871 0.989 -10.651 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.205 2.480 -10.488 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.182 0.565 -9.639 1.00 0.21 C ATOM 1014 CD1 ILE B 6 2.125 3.037 -11.557 1.00 0.30 C ATOM 0 H ILE B 6 1.200 -1.441 -9.502 1.00 0.21 H new ATOM 0 HA ILE B 6 2.642 0.165 -11.511 1.00 0.22 H new ATOM 0 HB ILE B 6 0.460 0.840 -11.650 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.276 3.050 -10.492 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.668 2.632 -9.513 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -1.062 1.199 -9.743 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.460 -0.474 -9.817 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.221 0.665 -8.631 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.308 4.094 -11.365 1.00 0.30 H new ATOM 0 HD12 ILE B 6 3.071 2.496 -11.541 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.658 2.922 -12.535 1.00 0.30 H new ATOM 1026 N VAL B 7 4.327 0.843 -9.827 1.00 0.24 N ATOM 1027 CA VAL B 7 5.331 1.322 -8.897 1.00 0.22 C ATOM 1028 C VAL B 7 5.179 2.822 -8.677 1.00 0.24 C ATOM 1029 O VAL B 7 5.001 3.583 -9.629 1.00 0.27 O ATOM 1030 CB VAL B 7 6.751 0.990 -9.392 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.795 1.783 -8.619 1.00 0.24 C ATOM 1032 CG2 VAL B 7 7.000 -0.506 -9.260 1.00 0.23 C ATOM 0 H VAL B 7 4.673 0.683 -10.773 1.00 0.24 H new ATOM 0 HA VAL B 7 5.180 0.812 -7.945 1.00 0.22 H new ATOM 0 HB VAL B 7 6.834 1.272 -10.442 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.789 1.531 -8.987 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.617 2.850 -8.756 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.727 1.537 -7.559 1.00 0.24 H new ATOM 0 HG21 VAL B 7 8.005 -0.740 -9.611 1.00 0.23 H new ATOM 0 HG22 VAL B 7 6.903 -0.800 -8.215 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.271 -1.051 -9.860 1.00 0.23 H new ATOM 1042 N ARG B 8 5.246 3.238 -7.422 1.00 0.23 N ATOM 1043 CA ARG B 8 5.165 4.631 -7.047 1.00 0.25 C ATOM 1044 C ARG B 8 6.323 4.905 -6.099 1.00 0.23 C ATOM 1045 O ARG B 8 6.405 4.306 -5.027 1.00 0.26 O ATOM 1046 CB ARG B 8 3.806 4.940 -6.367 1.00 0.29 C ATOM 1047 CG ARG B 8 3.874 5.815 -5.101 1.00 0.27 C ATOM 1048 CD ARG B 8 4.394 7.212 -5.389 1.00 0.24 C ATOM 1049 NE ARG B 8 3.507 7.976 -6.268 1.00 0.99 N ATOM 1050 CZ ARG B 8 3.627 9.285 -6.484 1.00 0.92 C ATOM 1051 NH1 ARG B 8 4.542 9.990 -5.825 1.00 0.53 N ATOM 1052 NH2 ARG B 8 2.809 9.893 -7.338 1.00 1.69 N ATOM 0 H ARG B 8 5.360 2.606 -6.630 1.00 0.23 H new ATOM 0 HA ARG B 8 5.230 5.272 -7.926 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.162 5.435 -7.094 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.328 3.995 -6.108 1.00 0.29 H new ATOM 0 HG2 ARG B 8 2.881 5.884 -4.657 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.519 5.335 -4.365 1.00 0.27 H new ATOM 0 HD2 ARG B 8 4.518 7.750 -4.449 1.00 0.24 H new ATOM 0 HD3 ARG B 8 5.380 7.141 -5.848 1.00 0.24 H new ATOM 0 HE ARG B 8 2.754 7.477 -6.742 1.00 0.99 H new ATOM 0 HH11 ARG B 8 5.154 9.529 -5.152 1.00 0.53 H new ATOM 0 HH12 ARG B 8 4.632 10.992 -5.992 1.00 0.53 H new ATOM 0 HH21 ARG B 8 2.091 9.357 -7.826 1.00 1.69 H new ATOM 0 HH22 ARG B 8 2.899 10.895 -7.505 1.00 1.69 H new ATOM 1066 N ARG B 9 7.237 5.770 -6.496 1.00 0.20 N ATOM 1067 CA ARG B 9 8.296 6.162 -5.595 1.00 0.19 C ATOM 1068 C ARG B 9 7.748 7.183 -4.634 1.00 0.20 C ATOM 1069 O ARG B 9 7.568 8.339 -5.007 1.00 0.21 O ATOM 1070 CB ARG B 9 9.486 6.734 -6.347 1.00 0.18 C ATOM 1071 CG ARG B 9 10.801 6.510 -5.638 1.00 0.24 C ATOM 1072 CD ARG B 9 11.932 6.385 -6.644 1.00 0.62 C ATOM 1073 NE ARG B 9 13.206 6.045 -6.016 1.00 1.35 N ATOM 1074 CZ ARG B 9 14.394 6.206 -6.598 1.00 1.74 C ATOM 1075 NH1 ARG B 9 14.477 6.695 -7.827 1.00 1.51 N ATOM 1076 NH2 ARG B 9 15.499 5.870 -5.943 1.00 2.71 N ATOM 0 H ARG B 9 7.266 6.205 -7.418 1.00 0.20 H new ATOM 0 HA ARG B 9 8.648 5.283 -5.056 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.533 6.282 -7.338 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.336 7.804 -6.492 1.00 0.18 H new ATOM 0 HG2 ARG B 9 11.000 7.339 -4.958 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.745 5.606 -5.031 1.00 0.24 H new ATOM 0 HD2 ARG B 9 11.678 5.621 -7.378 1.00 0.62 H new ATOM 0 HD3 ARG B 9 12.037 7.325 -7.186 1.00 0.62 H new ATOM 0 HE ARG B 9 13.185 5.660 -5.072 1.00 1.35 H new ATOM 0 HH11 ARG B 9 13.629 6.950 -8.333 1.00 1.51 H new ATOM 0 HH12 ARG B 9 15.389 6.816 -8.267 1.00 1.51 H new ATOM 0 HH21 ARG B 9 15.436 5.490 -4.998 1.00 2.71 H new ATOM 0 HH22 ARG B 9 16.410 5.991 -6.385 1.00 2.71 H new ATOM 1090 N ILE B 10 7.490 6.705 -3.415 1.00 0.22 N ATOM 1091 CA ILE B 10 6.883 7.470 -2.307 1.00 0.25 C ATOM 1092 C ILE B 10 6.761 8.984 -2.557 1.00 0.30 C ATOM 1093 O ILE B 10 5.904 9.412 -3.342 1.00 0.34 O ATOM 1094 CB ILE B 10 7.643 7.201 -0.981 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.141 6.917 -1.238 1.00 0.22 C ATOM 1096 CG2 ILE B 10 6.997 6.026 -0.267 1.00 0.21 C ATOM 1097 CD1 ILE B 10 9.814 7.895 -2.177 1.00 0.23 C ATOM 0 H ILE B 10 7.703 5.742 -3.156 1.00 0.22 H new ATOM 0 HA ILE B 10 5.858 7.105 -2.234 1.00 0.25 H new ATOM 0 HB ILE B 10 7.582 8.091 -0.355 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.668 6.927 -0.284 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.242 5.912 -1.647 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.526 5.831 0.666 1.00 0.21 H new ATOM 0 HG22 ILE B 10 5.955 6.260 -0.051 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.046 5.142 -0.903 1.00 0.21 H new ATOM 0 HD11 ILE B 10 10.862 7.620 -2.300 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.316 7.870 -3.146 1.00 0.23 H new ATOM 0 HD13 ILE B 10 9.749 8.901 -1.762 1.00 0.23 H new ATOM 1109 N ASP B 11 7.616 9.769 -1.894 1.00 0.32 N ATOM 1110 CA ASP B 11 7.652 11.219 -2.034 1.00 0.39 C ATOM 1111 C ASP B 11 8.476 11.770 -0.889 1.00 0.40 C ATOM 1112 O ASP B 11 9.177 11.010 -0.238 1.00 0.42 O ATOM 1113 CB ASP B 11 6.241 11.844 -2.031 1.00 0.43 C ATOM 1114 CG ASP B 11 5.613 11.957 -0.651 1.00 0.33 C ATOM 1115 OD1 ASP B 11 5.251 10.923 -0.053 1.00 1.18 O ATOM 1116 OD2 ASP B 11 5.476 13.095 -0.153 1.00 1.08 O ATOM 0 H ASP B 11 8.308 9.406 -1.239 1.00 0.32 H new ATOM 0 HA ASP B 11 8.097 11.474 -2.996 1.00 0.39 H new ATOM 0 HB2 ASP B 11 6.295 12.838 -2.476 1.00 0.43 H new ATOM 0 HB3 ASP B 11 5.589 11.245 -2.667 1.00 0.43 H new ATOM 1121 N ASP B 12 8.387 13.067 -0.630 1.00 0.44 N ATOM 1122 CA ASP B 12 9.161 13.689 0.441 1.00 0.47 C ATOM 1123 C ASP B 12 8.610 13.299 1.816 1.00 0.43 C ATOM 1124 O ASP B 12 9.235 13.555 2.846 1.00 0.63 O ATOM 1125 CB ASP B 12 9.163 15.211 0.277 1.00 0.58 C ATOM 1126 CG ASP B 12 10.138 15.897 1.214 1.00 1.42 C ATOM 1127 OD1 ASP B 12 11.358 15.816 0.967 1.00 2.39 O ATOM 1128 OD2 ASP B 12 9.690 16.520 2.200 1.00 1.78 O ATOM 0 H ASP B 12 7.787 13.711 -1.146 1.00 0.44 H new ATOM 0 HA ASP B 12 10.187 13.327 0.375 1.00 0.47 H new ATOM 0 HB2 ASP B 12 9.417 15.461 -0.753 1.00 0.58 H new ATOM 0 HB3 ASP B 12 8.159 15.594 0.460 1.00 0.58 H new ATOM 1133 N LEU B 13 7.441 12.676 1.827 1.00 0.34 N ATOM 1134 CA LEU B 13 6.806 12.267 3.067 1.00 0.28 C ATOM 1135 C LEU B 13 6.856 10.745 3.231 1.00 0.23 C ATOM 1136 O LEU B 13 7.455 10.236 4.181 1.00 0.25 O ATOM 1137 CB LEU B 13 5.358 12.775 3.087 1.00 0.27 C ATOM 1138 CG LEU B 13 4.676 12.809 4.458 1.00 0.29 C ATOM 1139 CD1 LEU B 13 4.255 11.416 4.893 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.605 13.436 5.485 1.00 0.40 C ATOM 0 H LEU B 13 6.912 12.443 0.986 1.00 0.34 H new ATOM 0 HA LEU B 13 7.348 12.703 3.907 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.342 13.782 2.670 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.764 12.146 2.424 1.00 0.27 H new ATOM 0 HG LEU B 13 3.775 13.418 4.381 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.774 11.470 5.869 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.556 11.004 4.166 1.00 0.32 H new ATOM 0 HD13 LEU B 13 5.133 10.774 4.956 1.00 0.32 H new ATOM 0 HD21 LEU B 13 5.112 13.456 6.457 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.520 12.848 5.554 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.850 14.454 5.181 1.00 0.40 H new ATOM 1152 N GLY B 14 6.225 10.027 2.311 1.00 0.21 N ATOM 1153 CA GLY B 14 6.164 8.586 2.410 1.00 0.18 C ATOM 1154 C GLY B 14 4.801 8.048 2.026 1.00 0.17 C ATOM 1155 O GLY B 14 4.431 6.943 2.411 1.00 0.20 O ATOM 0 H GLY B 14 5.754 10.420 1.496 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.923 8.146 1.763 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.399 8.282 3.430 1.00 0.18 H new ATOM 1159 N ARG B 15 4.042 8.825 1.267 1.00 0.18 N ATOM 1160 CA ARG B 15 2.746 8.365 0.810 1.00 0.20 C ATOM 1161 C ARG B 15 2.907 7.366 -0.304 1.00 0.18 C ATOM 1162 O ARG B 15 3.852 7.423 -1.090 1.00 0.20 O ATOM 1163 CB ARG B 15 1.882 9.492 0.265 1.00 0.29 C ATOM 1164 CG ARG B 15 1.573 10.587 1.247 1.00 0.24 C ATOM 1165 CD ARG B 15 2.185 11.877 0.766 1.00 0.42 C ATOM 1166 NE ARG B 15 1.572 13.044 1.389 1.00 0.52 N ATOM 1167 CZ ARG B 15 2.101 14.266 1.379 1.00 0.51 C ATOM 1168 NH1 ARG B 15 3.282 14.494 0.810 1.00 0.87 N ATOM 1169 NH2 ARG B 15 1.442 15.264 1.944 1.00 0.90 N ATOM 0 H ARG B 15 4.299 9.763 0.960 1.00 0.18 H new ATOM 0 HA ARG B 15 2.263 7.925 1.683 1.00 0.20 H new ATOM 0 HB2 ARG B 15 2.384 9.929 -0.598 1.00 0.29 H new ATOM 0 HB3 ARG B 15 0.943 9.069 -0.093 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.494 10.701 1.354 1.00 0.24 H new ATOM 0 HG3 ARG B 15 1.966 10.330 2.231 1.00 0.24 H new ATOM 0 HD2 ARG B 15 3.254 11.872 0.980 1.00 0.42 H new ATOM 0 HD3 ARG B 15 2.077 11.947 -0.316 1.00 0.42 H new ATOM 0 HE ARG B 15 0.679 12.916 1.864 1.00 0.52 H new ATOM 0 HH11 ARG B 15 3.794 13.727 0.374 1.00 0.87 H new ATOM 0 HH12 ARG B 15 3.675 15.435 0.810 1.00 0.87 H new ATOM 0 HH21 ARG B 15 0.537 15.094 2.382 1.00 0.90 H new ATOM 0 HH22 ARG B 15 1.839 16.204 1.941 1.00 0.90 H new ATOM 1183 N VAL B 16 1.964 6.473 -0.377 1.00 0.18 N ATOM 1184 CA VAL B 16 1.825 5.629 -1.526 1.00 0.19 C ATOM 1185 C VAL B 16 0.598 6.084 -2.277 1.00 0.17 C ATOM 1186 O VAL B 16 -0.518 5.691 -1.954 1.00 0.20 O ATOM 1187 CB VAL B 16 1.699 4.153 -1.136 1.00 0.27 C ATOM 1188 CG1 VAL B 16 1.592 3.283 -2.372 1.00 1.15 C ATOM 1189 CG2 VAL B 16 2.882 3.741 -0.283 1.00 1.27 C ATOM 0 H VAL B 16 1.273 6.310 0.355 1.00 0.18 H new ATOM 0 HA VAL B 16 2.715 5.710 -2.149 1.00 0.19 H new ATOM 0 HB VAL B 16 0.788 4.018 -0.553 1.00 0.27 H new ATOM 0 HG11 VAL B 16 1.503 2.238 -2.075 1.00 1.15 H new ATOM 0 HG12 VAL B 16 0.712 3.573 -2.946 1.00 1.15 H new ATOM 0 HG13 VAL B 16 2.484 3.411 -2.986 1.00 1.15 H new ATOM 0 HG21 VAL B 16 2.785 2.690 -0.010 1.00 1.27 H new ATOM 0 HG22 VAL B 16 3.804 3.886 -0.846 1.00 1.27 H new ATOM 0 HG23 VAL B 16 2.909 4.350 0.621 1.00 1.27 H new ATOM 1199 N VAL B 17 0.810 6.967 -3.232 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.290 7.597 -3.931 1.00 0.19 C ATOM 1201 C VAL B 17 -1.030 6.568 -4.770 1.00 0.19 C ATOM 1202 O VAL B 17 -0.590 6.209 -5.863 1.00 0.22 O ATOM 1203 CB VAL B 17 0.187 8.755 -4.826 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -1.001 9.442 -5.480 1.00 0.27 C ATOM 1205 CG2 VAL B 17 1.014 9.745 -4.015 1.00 0.25 C ATOM 0 H VAL B 17 1.735 7.264 -3.542 1.00 0.18 H new ATOM 0 HA VAL B 17 -0.963 8.012 -3.180 1.00 0.19 H new ATOM 0 HB VAL B 17 0.821 8.351 -5.616 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -0.648 10.259 -6.110 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -1.546 8.723 -6.091 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -1.662 9.838 -4.709 1.00 0.27 H new ATOM 0 HG21 VAL B 17 1.344 10.558 -4.661 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.407 10.149 -3.205 1.00 0.25 H new ATOM 0 HG23 VAL B 17 1.883 9.237 -3.598 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.131 6.078 -4.226 1.00 0.19 N ATOM 1216 CA ILE B 18 -2.920 5.058 -4.879 1.00 0.20 C ATOM 1217 C ILE B 18 -4.018 5.684 -5.728 1.00 0.18 C ATOM 1218 O ILE B 18 -4.922 6.345 -5.216 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.521 4.064 -3.850 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.442 3.075 -3.401 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -4.724 3.324 -4.427 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -2.962 1.955 -2.525 1.00 0.82 C ATOM 0 H ILE B 18 -2.499 6.377 -3.323 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.256 4.496 -5.536 1.00 0.20 H new ATOM 0 HB ILE B 18 -3.871 4.630 -2.987 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -1.969 2.643 -4.283 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -1.668 3.618 -2.858 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -5.120 2.636 -3.680 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.495 4.043 -4.704 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.417 2.763 -5.310 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -2.138 1.297 -2.249 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -3.409 2.375 -1.624 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -3.714 1.385 -3.071 1.00 0.82 H new ATOM 1234 N PRO B 19 -3.905 5.530 -7.052 1.00 0.21 N ATOM 1235 CA PRO B 19 -4.940 5.937 -7.995 1.00 0.23 C ATOM 1236 C PRO B 19 -6.320 5.431 -7.605 1.00 0.21 C ATOM 1237 O PRO B 19 -6.475 4.338 -7.053 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.487 5.290 -9.292 1.00 0.28 C ATOM 1239 CG PRO B 19 -3.010 5.302 -9.188 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.724 4.985 -7.748 1.00 0.27 C ATOM 0 HA PRO B 19 -5.045 7.021 -8.046 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -4.874 4.276 -9.391 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -4.833 5.849 -10.161 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.561 4.564 -9.852 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.602 6.273 -9.468 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.617 3.913 -7.584 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -1.801 5.454 -7.406 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.322 6.221 -7.926 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.692 5.902 -7.581 1.00 0.23 C ATOM 1250 C LYS B 20 -9.167 4.645 -8.299 1.00 0.21 C ATOM 1251 O LYS B 20 -10.181 4.094 -7.931 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.642 7.075 -7.862 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.481 7.704 -9.237 1.00 0.39 C ATOM 1254 CD LYS B 20 -8.267 8.618 -9.286 1.00 0.53 C ATOM 1255 CE LYS B 20 -8.488 9.897 -8.486 1.00 0.90 C ATOM 1256 NZ LYS B 20 -9.581 10.730 -9.057 1.00 1.77 N ATOM 0 H LYS B 20 -7.211 7.100 -8.432 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.711 5.711 -6.508 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.669 6.727 -7.754 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -9.484 7.843 -7.105 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.380 6.921 -9.988 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.377 8.272 -9.487 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -7.398 8.090 -8.894 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -8.045 8.872 -10.323 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -8.728 9.642 -7.454 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -7.564 10.476 -8.465 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -9.504 11.701 -8.693 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -9.503 10.742 -10.094 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -10.501 10.330 -8.784 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.439 4.204 -9.324 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.774 2.962 -10.035 1.00 0.20 C ATOM 1272 C GLU B 21 -8.679 1.734 -9.129 1.00 0.20 C ATOM 1273 O GLU B 21 -9.359 0.723 -9.354 1.00 0.20 O ATOM 1274 CB GLU B 21 -7.882 2.760 -11.265 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.603 3.573 -11.247 1.00 0.47 C ATOM 1276 CD GLU B 21 -6.801 4.974 -11.797 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -6.661 5.158 -13.018 1.00 1.53 O ATOM 1278 OE2 GLU B 21 -7.116 5.891 -11.009 1.00 1.92 O ATOM 0 H GLU B 21 -7.614 4.684 -9.683 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.809 3.069 -10.360 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -7.626 1.703 -11.344 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -8.451 3.018 -12.158 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -6.230 3.636 -10.225 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -5.841 3.060 -11.833 1.00 0.47 H new ATOM 1285 N ILE B 22 -7.890 1.825 -8.068 1.00 0.22 N ATOM 1286 CA ILE B 22 -7.723 0.689 -7.184 1.00 0.25 C ATOM 1287 C ILE B 22 -8.830 0.732 -6.151 1.00 0.24 C ATOM 1288 O ILE B 22 -9.551 -0.240 -5.957 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.340 0.670 -6.494 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.228 0.577 -7.542 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.242 -0.493 -5.515 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.751 1.915 -8.059 1.00 0.25 C ATOM 0 H ILE B 22 -7.366 2.659 -7.804 1.00 0.22 H new ATOM 0 HA ILE B 22 -7.779 -0.225 -7.776 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.221 1.598 -5.936 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.381 0.044 -7.110 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.585 -0.018 -8.382 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.261 -0.488 -5.041 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.014 -0.393 -4.752 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.381 -1.432 -6.051 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -3.964 1.760 -8.797 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.584 2.444 -8.523 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.361 2.507 -7.231 1.00 0.25 H new ATOM 1304 N ARG B 23 -8.980 1.899 -5.534 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.112 2.195 -4.661 1.00 0.23 C ATOM 1306 C ARG B 23 -11.427 1.983 -5.416 1.00 0.22 C ATOM 1307 O ARG B 23 -12.460 1.664 -4.830 1.00 0.23 O ATOM 1308 CB ARG B 23 -9.942 3.632 -4.123 1.00 0.26 C ATOM 1309 CG ARG B 23 -11.212 4.451 -3.960 1.00 0.50 C ATOM 1310 CD ARG B 23 -11.659 5.063 -5.276 1.00 0.35 C ATOM 1311 NE ARG B 23 -12.098 6.450 -5.132 1.00 0.85 N ATOM 1312 CZ ARG B 23 -13.022 7.022 -5.903 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -13.660 6.319 -6.831 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -13.312 8.302 -5.736 1.00 1.40 N ATOM 0 H ARG B 23 -8.318 2.670 -5.625 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.143 1.518 -3.808 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -9.445 3.577 -3.154 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.273 4.170 -4.794 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -12.006 3.817 -3.566 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -11.043 5.242 -3.229 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -10.837 5.019 -5.991 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.474 4.469 -5.690 1.00 0.35 H new ATOM 0 HE ARG B 23 -11.671 7.014 -4.397 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -13.445 5.330 -6.960 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -14.365 6.768 -7.415 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -12.829 8.845 -5.020 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -14.018 8.746 -6.323 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.360 2.159 -6.727 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.476 1.877 -7.616 1.00 0.25 C ATOM 1330 C ARG B 24 -12.817 0.409 -7.602 1.00 0.26 C ATOM 1331 O ARG B 24 -13.967 0.045 -7.367 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.152 2.316 -9.043 1.00 0.29 C ATOM 1333 CG ARG B 24 -12.835 1.488 -10.120 1.00 0.42 C ATOM 1334 CD ARG B 24 -13.047 2.302 -11.385 1.00 0.55 C ATOM 1335 NE ARG B 24 -13.874 3.485 -11.148 1.00 1.47 N ATOM 1336 CZ ARG B 24 -13.974 4.509 -11.999 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -13.332 4.483 -13.160 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -14.739 5.553 -11.700 1.00 3.19 N ATOM 0 H ARG B 24 -10.527 2.503 -7.205 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.337 2.441 -7.257 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.442 3.360 -9.165 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.073 2.265 -9.191 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -12.230 0.610 -10.346 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -13.795 1.127 -9.751 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -12.080 2.610 -11.783 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -13.519 1.677 -12.143 1.00 0.55 H new ATOM 0 HE ARG B 24 -14.407 3.530 -10.279 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -12.758 3.677 -13.407 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -13.413 5.269 -13.805 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -15.252 5.574 -10.819 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -14.814 6.334 -12.352 1.00 3.19 H new ATOM 1352 N THR B 25 -11.831 -0.451 -7.843 1.00 0.26 N ATOM 1353 CA THR B 25 -12.075 -1.875 -7.814 1.00 0.29 C ATOM 1354 C THR B 25 -12.408 -2.326 -6.389 1.00 0.28 C ATOM 1355 O THR B 25 -13.036 -3.363 -6.170 1.00 0.33 O ATOM 1356 CB THR B 25 -10.835 -2.636 -8.335 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.445 -2.111 -9.611 1.00 0.35 O ATOM 1358 CG2 THR B 25 -11.111 -4.127 -8.467 1.00 0.40 C ATOM 0 H THR B 25 -10.870 -0.184 -8.057 1.00 0.26 H new ATOM 0 HA THR B 25 -12.924 -2.099 -8.460 1.00 0.29 H new ATOM 0 HB THR B 25 -10.031 -2.499 -7.612 1.00 0.32 H new ATOM 0 HG1 THR B 25 -10.058 -1.219 -9.493 1.00 0.35 H new ATOM 0 HG21 THR B 25 -10.218 -4.631 -8.836 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.382 -4.535 -7.493 1.00 0.40 H new ATOM 0 HG23 THR B 25 -11.932 -4.285 -9.167 1.00 0.40 H new ATOM 1366 N LEU B 26 -11.974 -1.519 -5.427 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.315 -1.713 -4.027 1.00 0.26 C ATOM 1368 C LEU B 26 -13.801 -1.459 -3.795 1.00 0.26 C ATOM 1369 O LEU B 26 -14.361 -1.904 -2.793 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.489 -0.756 -3.154 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.292 -1.370 -2.424 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -10.749 -2.499 -1.529 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.240 -1.864 -3.403 1.00 0.27 C ATOM 0 H LEU B 26 -11.375 -0.711 -5.599 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.089 -2.744 -3.756 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.126 0.056 -3.784 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.152 -0.311 -2.412 1.00 0.24 H new ATOM 0 HG LEU B 26 -9.837 -0.592 -1.811 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -9.888 -2.927 -1.015 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -11.457 -2.117 -0.794 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.232 -3.268 -2.132 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.404 -2.294 -2.852 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -9.675 -2.623 -4.053 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -8.885 -1.029 -4.008 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.427 -0.751 -4.746 1.00 0.27 N ATOM 1386 CA ARG B 27 -15.818 -0.308 -4.640 1.00 0.32 C ATOM 1387 C ARG B 27 -15.958 0.756 -3.556 1.00 0.31 C ATOM 1388 O ARG B 27 -17.054 1.020 -3.055 1.00 0.34 O ATOM 1389 CB ARG B 27 -16.758 -1.485 -4.370 1.00 0.37 C ATOM 1390 CG ARG B 27 -17.205 -2.224 -5.624 1.00 0.75 C ATOM 1391 CD ARG B 27 -16.053 -2.935 -6.312 1.00 1.00 C ATOM 1392 NE ARG B 27 -16.471 -3.570 -7.558 1.00 1.79 N ATOM 1393 CZ ARG B 27 -15.849 -4.603 -8.123 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -14.743 -5.105 -7.582 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -16.331 -5.119 -9.245 1.00 3.28 N ATOM 0 H ARG B 27 -13.975 -0.469 -5.616 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.105 0.131 -5.596 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.259 -2.189 -3.705 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -17.639 -1.119 -3.843 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -17.973 -2.951 -5.361 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -17.660 -1.517 -6.318 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -15.257 -2.220 -6.518 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -15.639 -3.688 -5.642 1.00 1.00 H new ATOM 0 HE ARG B 27 -17.296 -3.197 -8.028 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -14.364 -4.699 -6.727 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -14.274 -5.896 -8.022 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -17.171 -4.725 -9.668 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -15.862 -5.910 -9.685 1.00 3.28 H new ATOM 1409 N ILE B 28 -14.841 1.389 -3.232 1.00 0.29 N ATOM 1410 CA ILE B 28 -14.793 2.395 -2.184 1.00 0.30 C ATOM 1411 C ILE B 28 -14.405 3.744 -2.791 1.00 0.30 C ATOM 1412 O ILE B 28 -14.479 3.925 -4.006 1.00 0.33 O ATOM 1413 CB ILE B 28 -13.803 1.973 -1.072 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -13.933 0.468 -0.821 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -14.095 2.729 0.223 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -12.982 -0.078 0.215 1.00 0.37 C ATOM 0 H ILE B 28 -13.944 1.220 -3.688 1.00 0.29 H new ATOM 0 HA ILE B 28 -15.778 2.490 -1.727 1.00 0.30 H new ATOM 0 HB ILE B 28 -12.790 2.211 -1.396 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -14.954 0.252 -0.508 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -13.769 -0.060 -1.761 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -13.388 2.419 0.993 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -13.995 3.800 0.049 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -15.110 2.508 0.552 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -13.144 -1.150 0.328 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -11.955 0.102 -0.103 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -13.159 0.419 1.169 1.00 0.37 H new ATOM 1428 N ARG B 29 -13.995 4.681 -1.956 1.00 0.28 N ATOM 1429 CA ARG B 29 -13.721 6.042 -2.388 1.00 0.30 C ATOM 1430 C ARG B 29 -12.751 6.721 -1.440 1.00 0.27 C ATOM 1431 O ARG B 29 -11.934 6.055 -0.803 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.039 6.829 -2.503 1.00 0.33 C ATOM 1433 CG ARG B 29 -16.039 6.527 -1.390 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.500 6.923 -0.028 1.00 0.59 C ATOM 1435 NE ARG B 29 -16.264 6.338 1.070 1.00 1.03 N ATOM 1436 CZ ARG B 29 -16.545 6.976 2.205 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -16.245 8.262 2.344 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -17.145 6.329 3.190 1.00 1.99 N ATOM 0 H ARG B 29 -13.842 4.522 -0.960 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.251 6.016 -3.371 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -14.815 7.896 -2.497 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -15.502 6.605 -3.464 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -16.970 7.061 -1.582 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.276 5.463 -1.392 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -14.459 6.610 0.052 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -15.514 8.009 0.063 1.00 0.59 H new ATOM 0 HE ARG B 29 -16.603 5.382 0.961 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -15.797 8.767 1.579 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -16.463 8.745 3.216 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -17.391 5.345 3.079 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -17.362 6.814 4.061 1.00 1.99 H new ATOM 1452 N GLU B 30 -12.858 8.038 -1.341 1.00 0.30 N ATOM 1453 CA GLU B 30 -11.994 8.836 -0.482 1.00 0.31 C ATOM 1454 C GLU B 30 -12.347 8.661 0.989 1.00 0.30 C ATOM 1455 O GLU B 30 -12.278 9.590 1.795 1.00 0.36 O ATOM 1456 CB GLU B 30 -12.085 10.299 -0.886 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.250 10.624 -2.104 1.00 0.44 C ATOM 1458 CD GLU B 30 -11.816 10.068 -3.397 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -11.629 8.868 -3.676 1.00 1.08 O ATOM 1460 OE2 GLU B 30 -12.451 10.834 -4.147 1.00 1.18 O ATOM 0 H GLU B 30 -13.548 8.585 -1.855 1.00 0.30 H new ATOM 0 HA GLU B 30 -10.969 8.489 -0.610 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -13.126 10.551 -1.087 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -11.761 10.922 -0.052 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -11.159 11.707 -2.193 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.244 10.231 -1.959 1.00 0.44 H new ATOM 1467 N GLY B 31 -12.714 7.436 1.313 1.00 0.26 N ATOM 1468 CA GLY B 31 -12.987 7.042 2.665 1.00 0.26 C ATOM 1469 C GLY B 31 -12.757 5.555 2.828 1.00 0.27 C ATOM 1470 O GLY B 31 -13.528 4.860 3.479 1.00 0.35 O ATOM 0 H GLY B 31 -12.830 6.685 0.632 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.344 7.595 3.350 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -14.017 7.289 2.924 1.00 0.26 H new ATOM 1474 N ASP B 32 -11.705 5.068 2.187 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.285 3.677 2.324 1.00 0.29 C ATOM 1476 C ASP B 32 -10.190 3.564 3.373 1.00 0.26 C ATOM 1477 O ASP B 32 -9.134 4.190 3.265 1.00 0.29 O ATOM 1478 CB ASP B 32 -10.796 3.124 0.989 1.00 0.35 C ATOM 1479 CG ASP B 32 -10.140 1.760 1.113 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -10.651 0.916 1.880 1.00 1.29 O ATOM 1481 OD2 ASP B 32 -9.133 1.527 0.419 1.00 1.07 O ATOM 0 H ASP B 32 -11.120 5.620 1.560 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.145 3.088 2.643 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -11.639 3.054 0.301 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -10.084 3.824 0.551 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.458 2.795 4.420 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.539 2.594 5.522 1.00 0.24 C ATOM 1488 C PRO B 33 -8.565 1.469 5.287 1.00 0.41 C ATOM 1489 O PRO B 33 -8.721 0.402 5.825 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.431 2.188 6.683 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.813 2.010 6.121 1.00 0.12 C ATOM 1492 CD PRO B 33 -11.695 2.056 4.619 1.00 0.20 C ATOM 0 HA PRO B 33 -8.947 3.496 5.679 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -10.076 1.264 7.139 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.425 2.951 7.462 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.240 1.061 6.444 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.478 2.796 6.479 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -11.645 1.057 4.186 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.546 2.560 4.161 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.574 1.669 4.495 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.669 0.577 4.266 1.00 0.19 C ATOM 1502 C LEU B 34 -5.803 0.310 5.488 1.00 0.19 C ATOM 1503 O LEU B 34 -5.463 1.202 6.239 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.782 0.800 3.037 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.369 1.676 1.932 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -5.997 3.137 2.155 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -5.887 1.206 0.568 1.00 0.44 C ATOM 0 H LEU B 34 -7.364 2.539 4.006 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.290 -0.298 4.074 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -4.845 1.248 3.368 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.538 -0.173 2.610 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.455 1.589 1.963 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -6.423 3.747 1.358 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -6.389 3.470 3.116 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -4.912 3.241 2.150 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -6.315 1.841 -0.208 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -4.799 1.265 0.526 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -6.201 0.175 0.407 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.430 -0.940 5.616 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.619 -1.404 6.719 1.00 0.17 C ATOM 1521 C GLU B 35 -3.236 -1.629 6.206 1.00 0.13 C ATOM 1522 O GLU B 35 -3.051 -2.479 5.355 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.150 -2.702 7.321 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.300 -3.224 8.466 1.00 0.21 C ATOM 1525 CD GLU B 35 -4.759 -4.574 8.967 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -5.975 -4.752 9.190 1.00 1.10 O ATOM 1527 OE2 GLU B 35 -3.916 -5.483 9.093 1.00 1.09 O ATOM 0 H GLU B 35 -5.682 -1.672 4.952 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.639 -0.651 7.507 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.167 -2.540 7.677 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.203 -3.461 6.541 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.263 -3.296 8.139 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.326 -2.508 9.288 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.288 -0.857 6.700 1.00 0.12 N ATOM 1535 CA ILE B 36 -0.914 -0.951 6.263 1.00 0.11 C ATOM 1536 C ILE B 36 -0.190 -1.986 7.102 1.00 0.11 C ATOM 1537 O ILE B 36 0.044 -1.778 8.295 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.182 0.418 6.392 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.715 1.441 5.382 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.322 0.261 6.229 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.066 2.029 5.734 1.00 0.62 C ATOM 0 H ILE B 36 -2.451 -0.148 7.415 1.00 0.12 H new ATOM 0 HA ILE B 36 -0.910 -1.243 5.213 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.385 0.790 7.396 1.00 0.13 H new ATOM 0 HG12 ILE B 36 0.007 2.252 5.291 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -0.784 0.965 4.404 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.802 1.235 6.325 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.704 -0.409 7.000 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.540 -0.156 5.246 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.364 2.742 4.965 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.806 1.231 5.795 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.002 2.538 6.696 1.00 0.62 H new ATOM 1553 N PHE B 37 0.120 -3.113 6.494 1.00 0.10 N ATOM 1554 CA PHE B 37 0.902 -4.133 7.159 1.00 0.11 C ATOM 1555 C PHE B 37 1.722 -4.905 6.143 1.00 0.10 C ATOM 1556 O PHE B 37 1.197 -5.403 5.159 1.00 0.10 O ATOM 1557 CB PHE B 37 0.015 -5.063 8.002 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.686 -6.167 7.252 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.908 -5.944 6.644 1.00 1.16 C ATOM 1560 CD2 PHE B 37 -0.128 -7.437 7.179 1.00 1.09 C ATOM 1561 CE1 PHE B 37 -2.561 -6.962 5.978 1.00 1.20 C ATOM 1562 CE2 PHE B 37 -0.776 -8.457 6.510 1.00 1.14 C ATOM 1563 CZ PHE B 37 -1.995 -8.218 5.908 1.00 0.49 C ATOM 0 H PHE B 37 -0.158 -3.345 5.540 1.00 0.10 H new ATOM 0 HA PHE B 37 1.589 -3.646 7.851 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.632 -5.514 8.780 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.739 -4.457 8.504 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.356 -4.963 6.691 1.00 1.16 H new ATOM 0 HD2 PHE B 37 0.824 -7.629 7.651 1.00 1.09 H new ATOM 0 HE1 PHE B 37 -3.517 -6.775 5.511 1.00 1.20 H new ATOM 0 HE2 PHE B 37 -0.330 -9.439 6.458 1.00 1.14 H new ATOM 0 HZ PHE B 37 -2.504 -9.013 5.383 1.00 0.49 H new ATOM 1573 N VAL B 38 3.017 -4.982 6.371 1.00 0.10 N ATOM 1574 CA VAL B 38 3.888 -5.692 5.450 1.00 0.10 C ATOM 1575 C VAL B 38 3.820 -7.185 5.697 1.00 0.13 C ATOM 1576 O VAL B 38 3.781 -7.643 6.839 1.00 0.20 O ATOM 1577 CB VAL B 38 5.359 -5.202 5.516 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.762 -4.886 6.951 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.308 -6.241 4.908 1.00 0.17 C ATOM 0 H VAL B 38 3.488 -4.568 7.175 1.00 0.10 H new ATOM 0 HA VAL B 38 3.525 -5.475 4.445 1.00 0.10 H new ATOM 0 HB VAL B 38 5.434 -4.286 4.930 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.797 -4.545 6.971 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.114 -4.104 7.347 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.664 -5.783 7.562 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.333 -5.875 4.966 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.225 -7.177 5.461 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.042 -6.411 3.865 1.00 0.17 H new ATOM 1589 N ASP B 39 3.789 -7.924 4.606 1.00 0.14 N ATOM 1590 CA ASP B 39 3.675 -9.368 4.652 1.00 0.19 C ATOM 1591 C ASP B 39 5.028 -10.002 4.928 1.00 0.42 C ATOM 1592 O ASP B 39 5.156 -10.877 5.782 1.00 1.05 O ATOM 1593 CB ASP B 39 3.130 -9.882 3.314 1.00 0.26 C ATOM 1594 CG ASP B 39 2.561 -11.287 3.404 1.00 0.32 C ATOM 1595 OD1 ASP B 39 3.344 -12.251 3.530 1.00 1.13 O ATOM 1596 OD2 ASP B 39 1.323 -11.432 3.332 1.00 1.14 O ATOM 0 H ASP B 39 3.842 -7.540 3.662 1.00 0.14 H new ATOM 0 HA ASP B 39 2.992 -9.640 5.457 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.354 -9.204 2.960 1.00 0.26 H new ATOM 0 HB3 ASP B 39 3.929 -9.867 2.573 1.00 0.26 H new ATOM 1601 N ARG B 40 6.048 -9.531 4.214 1.00 0.46 N ATOM 1602 CA ARG B 40 7.321 -10.236 4.168 1.00 0.54 C ATOM 1603 C ARG B 40 8.509 -9.302 4.377 1.00 0.52 C ATOM 1604 O ARG B 40 8.902 -9.022 5.508 1.00 0.59 O ATOM 1605 CB ARG B 40 7.436 -10.947 2.841 1.00 0.65 C ATOM 1606 CG ARG B 40 6.106 -11.479 2.408 1.00 0.75 C ATOM 1607 CD ARG B 40 6.110 -11.813 0.954 1.00 0.77 C ATOM 1608 NE ARG B 40 6.906 -13.002 0.668 1.00 1.29 N ATOM 1609 CZ ARG B 40 7.480 -13.253 -0.502 1.00 2.04 C ATOM 1610 NH1 ARG B 40 7.345 -12.406 -1.518 1.00 2.59 N ATOM 1611 NH2 ARG B 40 8.193 -14.357 -0.656 1.00 2.71 N ATOM 0 H ARG B 40 6.016 -8.672 3.665 1.00 0.46 H new ATOM 0 HA ARG B 40 7.343 -10.956 4.986 1.00 0.54 H new ATOM 0 HB2 ARG B 40 7.821 -10.260 2.087 1.00 0.65 H new ATOM 0 HB3 ARG B 40 8.151 -11.765 2.922 1.00 0.65 H new ATOM 0 HG2 ARG B 40 5.860 -12.368 2.988 1.00 0.75 H new ATOM 0 HG3 ARG B 40 5.331 -10.740 2.613 1.00 0.75 H new ATOM 0 HD2 ARG B 40 5.086 -11.972 0.616 1.00 0.77 H new ATOM 0 HD3 ARG B 40 6.504 -10.968 0.389 1.00 0.77 H new ATOM 0 HE ARG B 40 7.029 -13.685 1.416 1.00 1.29 H new ATOM 0 HH11 ARG B 40 6.796 -11.554 -1.402 1.00 2.59 H new ATOM 0 HH12 ARG B 40 7.790 -12.608 -2.413 1.00 2.59 H new ATOM 0 HH21 ARG B 40 8.299 -15.009 0.122 1.00 2.71 H new ATOM 0 HH22 ARG B 40 8.637 -14.556 -1.552 1.00 2.71 H new ATOM 1625 N ASP B 41 9.055 -8.801 3.278 1.00 0.53 N ATOM 1626 CA ASP B 41 10.233 -7.951 3.323 1.00 0.56 C ATOM 1627 C ASP B 41 9.843 -6.499 3.145 1.00 0.48 C ATOM 1628 O ASP B 41 9.805 -5.726 4.100 1.00 0.59 O ATOM 1629 CB ASP B 41 11.223 -8.357 2.227 1.00 0.59 C ATOM 1630 CG ASP B 41 12.373 -7.374 2.083 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.200 -7.274 3.016 1.00 1.18 O ATOM 1632 OD2 ASP B 41 12.457 -6.694 1.037 1.00 1.32 O ATOM 0 H ASP B 41 8.697 -8.971 2.338 1.00 0.53 H new ATOM 0 HA ASP B 41 10.708 -8.074 4.296 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.622 -9.346 2.451 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.695 -8.434 1.277 1.00 0.59 H new ATOM 1637 N GLY B 42 9.534 -6.144 1.914 1.00 0.34 N ATOM 1638 CA GLY B 42 9.160 -4.787 1.612 1.00 0.26 C ATOM 1639 C GLY B 42 7.824 -4.705 0.925 1.00 0.18 C ATOM 1640 O GLY B 42 7.518 -3.707 0.284 1.00 0.17 O ATOM 0 H GLY B 42 9.536 -6.776 1.114 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.129 -4.207 2.534 1.00 0.26 H new ATOM 0 HA3 GLY B 42 9.922 -4.335 0.977 1.00 0.26 H new ATOM 1644 N GLU B 43 7.033 -5.761 1.040 1.00 0.15 N ATOM 1645 CA GLU B 43 5.696 -5.752 0.478 1.00 0.12 C ATOM 1646 C GLU B 43 4.720 -5.314 1.543 1.00 0.09 C ATOM 1647 O GLU B 43 4.426 -6.072 2.466 1.00 0.09 O ATOM 1648 CB GLU B 43 5.287 -7.134 -0.038 1.00 0.16 C ATOM 1649 CG GLU B 43 6.447 -7.961 -0.562 1.00 0.57 C ATOM 1650 CD GLU B 43 6.052 -8.848 -1.725 1.00 1.17 C ATOM 1651 OE1 GLU B 43 5.832 -8.317 -2.833 1.00 2.07 O ATOM 1652 OE2 GLU B 43 5.960 -10.076 -1.543 1.00 1.65 O ATOM 0 H GLU B 43 7.293 -6.626 1.513 1.00 0.15 H new ATOM 0 HA GLU B 43 5.687 -5.062 -0.365 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.797 -7.682 0.767 1.00 0.16 H new ATOM 0 HB3 GLU B 43 4.552 -7.011 -0.833 1.00 0.16 H new ATOM 0 HG2 GLU B 43 7.251 -7.295 -0.875 1.00 0.57 H new ATOM 0 HG3 GLU B 43 6.841 -8.580 0.244 1.00 0.57 H new ATOM 1659 N VAL B 44 4.253 -4.087 1.442 1.00 0.08 N ATOM 1660 CA VAL B 44 3.266 -3.580 2.372 1.00 0.07 C ATOM 1661 C VAL B 44 1.881 -3.881 1.849 1.00 0.07 C ATOM 1662 O VAL B 44 1.571 -3.603 0.704 1.00 0.08 O ATOM 1663 CB VAL B 44 3.373 -2.065 2.589 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.735 -1.685 3.913 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.818 -1.597 2.528 1.00 0.13 C ATOM 0 H VAL B 44 4.541 -3.422 0.725 1.00 0.08 H new ATOM 0 HA VAL B 44 3.452 -4.073 3.326 1.00 0.07 H new ATOM 0 HB VAL B 44 2.836 -1.564 1.783 1.00 0.09 H new ATOM 0 HG11 VAL B 44 2.815 -0.608 4.060 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.684 -1.973 3.906 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.247 -2.201 4.725 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.858 -0.519 2.686 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.396 -2.099 3.304 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.237 -1.837 1.551 1.00 0.13 H new ATOM 1675 N ILE B 45 1.052 -4.424 2.694 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.278 -4.820 2.303 1.00 0.08 C ATOM 1677 C ILE B 45 -1.258 -3.851 2.928 1.00 0.09 C ATOM 1678 O ILE B 45 -1.294 -3.726 4.144 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.603 -6.250 2.770 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.160 -7.290 1.932 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -2.105 -6.508 2.706 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.668 -7.191 1.995 1.00 0.09 C ATOM 0 H ILE B 45 1.275 -4.606 3.673 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.348 -4.804 1.215 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.280 -6.348 3.806 1.00 0.10 H new ATOM 0 HG12 ILE B 45 -0.136 -8.286 2.262 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.151 -7.193 0.892 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.314 -7.524 3.040 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.624 -5.800 3.352 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.452 -6.385 1.680 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.110 -7.968 1.371 1.00 0.09 H new ATOM 0 HD12 ILE B 45 1.984 -6.212 1.634 1.00 0.09 H new ATOM 0 HD13 ILE B 45 1.998 -7.322 3.025 1.00 0.09 H new ATOM 1694 N LEU B 46 -1.984 -3.135 2.094 1.00 0.09 N ATOM 1695 CA LEU B 46 -2.993 -2.186 2.545 1.00 0.10 C ATOM 1696 C LEU B 46 -4.376 -2.727 2.245 1.00 0.11 C ATOM 1697 O LEU B 46 -4.718 -2.910 1.086 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.827 -0.861 1.800 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.410 -0.556 1.348 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.431 0.602 0.373 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.523 -0.239 2.538 1.00 0.13 C ATOM 0 H LEU B 46 -1.894 -3.192 1.080 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.873 -2.033 3.617 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.478 -0.868 0.926 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.169 -0.052 2.446 1.00 0.11 H new ATOM 0 HG LEU B 46 -0.998 -1.434 0.851 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.414 0.822 0.048 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.040 0.338 -0.492 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.854 1.480 0.860 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.488 -0.024 2.191 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -0.918 0.629 3.066 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.500 -1.095 3.213 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.185 -2.975 3.259 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.523 -3.499 2.992 1.00 0.16 C ATOM 1715 C LYS B 47 -7.630 -2.722 3.716 1.00 0.14 C ATOM 1716 O LYS B 47 -7.444 -2.265 4.825 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.566 -5.004 3.281 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.609 -5.451 4.287 1.00 0.24 C ATOM 1719 CD LYS B 47 -7.121 -5.287 5.716 1.00 0.40 C ATOM 1720 CE LYS B 47 -5.772 -5.957 5.920 1.00 0.52 C ATOM 1721 NZ LYS B 47 -5.710 -6.697 7.206 1.00 0.95 N ATOM 0 H LYS B 47 -4.957 -2.831 4.243 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.731 -3.352 1.932 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -6.743 -5.530 2.343 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.585 -5.314 3.640 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.522 -4.872 4.146 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.863 -6.496 4.107 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -7.043 -4.227 5.956 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -7.850 -5.716 6.403 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -5.580 -6.644 5.096 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -4.985 -5.203 5.897 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -4.731 -6.700 7.558 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -6.327 -6.234 7.903 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -6.028 -7.676 7.059 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.787 -2.657 3.058 1.00 0.17 N ATOM 1736 CA LYS B 48 -9.945 -1.788 3.398 1.00 0.17 C ATOM 1737 C LYS B 48 -10.380 -1.702 4.880 1.00 0.13 C ATOM 1738 O LYS B 48 -11.275 -0.920 5.191 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.128 -2.283 2.593 1.00 0.22 C ATOM 1740 CG LYS B 48 -11.216 -3.799 2.592 1.00 0.24 C ATOM 1741 CD LYS B 48 -11.494 -4.354 1.206 1.00 0.35 C ATOM 1742 CE LYS B 48 -12.931 -4.124 0.765 1.00 0.43 C ATOM 1743 NZ LYS B 48 -13.199 -4.728 -0.570 1.00 0.64 N ATOM 0 H LYS B 48 -8.965 -3.230 2.233 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.610 -0.777 3.164 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -12.047 -1.866 3.004 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -11.046 -1.923 1.567 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -10.282 -4.216 2.968 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -12.005 -4.116 3.274 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -10.818 -3.888 0.489 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -11.281 -5.423 1.197 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -13.611 -4.552 1.502 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -13.134 -3.054 0.728 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -14.143 -5.165 -0.570 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -13.159 -3.988 -1.300 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -12.482 -5.453 -0.773 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.812 -2.522 5.760 1.00 0.13 N ATOM 1758 CA TYR B 49 -10.041 -2.442 7.220 1.00 0.15 C ATOM 1759 C TYR B 49 -11.448 -2.857 7.645 1.00 0.18 C ATOM 1760 O TYR B 49 -11.611 -3.735 8.487 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.803 -1.044 7.767 1.00 0.19 C ATOM 1762 CG TYR B 49 -10.162 -0.877 9.231 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.600 -1.688 10.212 1.00 1.14 C ATOM 1764 CD2 TYR B 49 -11.060 0.106 9.631 1.00 1.18 C ATOM 1765 CE1 TYR B 49 -9.925 -1.526 11.545 1.00 1.19 C ATOM 1766 CE2 TYR B 49 -11.390 0.272 10.961 1.00 1.26 C ATOM 1767 CZ TYR B 49 -10.818 -0.544 11.914 1.00 0.62 C ATOM 1768 OH TYR B 49 -11.142 -0.378 13.240 1.00 0.79 O ATOM 0 H TYR B 49 -9.173 -3.270 5.489 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.318 -3.146 7.633 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.752 -0.787 7.631 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.383 -0.333 7.179 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -8.898 -2.457 9.927 1.00 1.14 H new ATOM 0 HD2 TYR B 49 -11.507 0.751 8.889 1.00 1.18 H new ATOM 0 HE1 TYR B 49 -9.481 -2.166 12.294 1.00 1.19 H new ATOM 0 HE2 TYR B 49 -12.093 1.038 11.254 1.00 1.26 H new ATOM 0 HH TYR B 49 -11.784 0.357 13.330 1.00 0.79 H new ATOM 1778 N SER B 50 -12.447 -2.176 7.092 1.00 0.20 N ATOM 1779 CA SER B 50 -13.838 -2.351 7.491 1.00 0.28 C ATOM 1780 C SER B 50 -14.237 -3.837 7.475 1.00 0.29 C ATOM 1781 O SER B 50 -14.681 -4.366 8.494 1.00 0.35 O ATOM 1782 CB SER B 50 -14.752 -1.503 6.590 1.00 0.39 C ATOM 1783 OG SER B 50 -16.065 -1.405 7.117 1.00 1.22 O ATOM 0 H SER B 50 -12.314 -1.486 6.353 1.00 0.20 H new ATOM 0 HA SER B 50 -13.957 -2.004 8.517 1.00 0.28 H new ATOM 0 HB2 SER B 50 -14.329 -0.505 6.480 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.792 -1.944 5.594 1.00 0.39 H new ATOM 0 HG SER B 50 -16.617 -0.858 6.520 1.00 1.22 H new ATOM 1789 N PRO B 51 -14.083 -4.548 6.337 1.00 0.34 N ATOM 1790 CA PRO B 51 -14.243 -5.999 6.299 1.00 0.43 C ATOM 1791 C PRO B 51 -12.949 -6.723 6.636 1.00 0.45 C ATOM 1792 O PRO B 51 -12.853 -7.944 6.511 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.600 -6.255 4.850 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.815 -5.229 4.111 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.801 -4.008 4.991 1.00 0.41 C ATOM 0 HA PRO B 51 -14.980 -6.353 7.020 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -14.330 -7.265 4.543 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.670 -6.144 4.675 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -12.802 -5.580 3.913 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.270 -5.009 3.145 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.837 -3.500 4.957 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.555 -3.283 4.684 1.00 0.41 H new ATOM 1803 N ILE B 52 -11.962 -5.944 7.068 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.620 -6.440 7.338 1.00 0.45 C ATOM 1805 C ILE B 52 -10.079 -7.120 6.074 1.00 0.57 C ATOM 1806 O ILE B 52 -10.413 -6.695 4.967 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.624 -7.389 8.561 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -11.745 -6.981 9.525 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -9.282 -7.325 9.290 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -11.859 -7.868 10.744 1.00 0.70 C ATOM 0 H ILE B 52 -12.073 -4.945 7.241 1.00 0.37 H new ATOM 0 HA ILE B 52 -9.959 -5.612 7.592 1.00 0.45 H new ATOM 0 HB ILE B 52 -10.790 -8.408 8.212 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.576 -5.954 9.850 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.694 -6.993 8.989 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -9.301 -7.998 10.147 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -8.484 -7.625 8.611 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -9.102 -6.306 9.633 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.674 -7.515 11.376 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -12.061 -8.892 10.431 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -10.925 -7.837 11.305 1.00 0.70 H new ATOM 1822 N SER B 53 -9.250 -8.147 6.211 1.00 0.78 N ATOM 1823 CA SER B 53 -8.703 -8.821 5.037 1.00 0.95 C ATOM 1824 C SER B 53 -9.768 -9.688 4.396 1.00 1.16 C ATOM 1825 O SER B 53 -9.707 -10.028 3.214 1.00 1.86 O ATOM 1826 CB SER B 53 -7.498 -9.690 5.411 1.00 1.08 C ATOM 1827 OG SER B 53 -6.396 -8.899 5.810 1.00 1.48 O ATOM 0 H SER B 53 -8.945 -8.528 7.107 1.00 0.78 H new ATOM 0 HA SER B 53 -8.375 -8.057 4.332 1.00 0.95 H new ATOM 0 HB2 SER B 53 -7.773 -10.368 6.219 1.00 1.08 H new ATOM 0 HB3 SER B 53 -7.215 -10.308 4.559 1.00 1.08 H new ATOM 0 HG SER B 53 -5.796 -8.764 5.047 1.00 1.48 H new ATOM 1833 N GLU B 54 -10.748 -10.001 5.211 1.00 1.07 N ATOM 1834 CA GLU B 54 -11.828 -10.907 4.879 1.00 1.27 C ATOM 1835 C GLU B 54 -12.702 -11.020 6.112 1.00 1.46 C ATOM 1836 O GLU B 54 -13.911 -10.789 6.054 1.00 2.29 O ATOM 1837 CB GLU B 54 -11.280 -12.277 4.468 1.00 1.47 C ATOM 1838 CG GLU B 54 -12.351 -13.283 4.093 1.00 1.75 C ATOM 1839 CD GLU B 54 -11.761 -14.562 3.541 1.00 2.00 C ATOM 1840 OE1 GLU B 54 -10.984 -15.222 4.263 1.00 2.41 O ATOM 1841 OE2 GLU B 54 -12.049 -14.900 2.376 1.00 2.62 O ATOM 0 H GLU B 54 -10.820 -9.621 6.155 1.00 1.07 H new ATOM 0 HA GLU B 54 -12.404 -10.532 4.033 1.00 1.27 H new ATOM 0 HB2 GLU B 54 -10.605 -12.148 3.622 1.00 1.47 H new ATOM 0 HB3 GLU B 54 -10.688 -12.681 5.289 1.00 1.47 H new ATOM 0 HG2 GLU B 54 -12.956 -13.512 4.970 1.00 1.75 H new ATOM 0 HG3 GLU B 54 -13.018 -12.843 3.352 1.00 1.75 H new ATOM 1848 N LEU B 55 -12.051 -11.369 7.222 1.00 1.27 N ATOM 1849 CA LEU B 55 -12.615 -11.250 8.562 1.00 1.44 C ATOM 1850 C LEU B 55 -11.667 -11.891 9.566 1.00 2.03 C ATOM 1851 O LEU B 55 -11.847 -13.084 9.896 1.00 2.28 O ATOM 1852 CB LEU B 55 -14.013 -11.871 8.672 1.00 1.59 C ATOM 1853 CG LEU B 55 -14.958 -11.132 9.626 1.00 1.50 C ATOM 1854 CD1 LEU B 55 -14.592 -11.399 11.078 1.00 2.31 C ATOM 1855 CD2 LEU B 55 -14.922 -9.636 9.333 1.00 0.94 C ATOM 1856 OXT LEU B 55 -10.720 -11.207 9.995 1.00 2.64 O ATOM 0 H LEU B 55 -11.104 -11.747 7.213 1.00 1.27 H new ATOM 0 HA LEU B 55 -12.729 -10.188 8.781 1.00 1.44 H new ATOM 0 HB2 LEU B 55 -14.465 -11.898 7.680 1.00 1.59 H new ATOM 0 HB3 LEU B 55 -13.914 -12.904 9.005 1.00 1.59 H new ATOM 0 HG LEU B 55 -15.970 -11.504 9.465 1.00 1.50 H new ATOM 0 HD11 LEU B 55 -15.280 -10.862 11.731 1.00 2.31 H new ATOM 0 HD12 LEU B 55 -14.660 -12.468 11.280 1.00 2.31 H new ATOM 0 HD13 LEU B 55 -13.573 -11.059 11.265 1.00 2.31 H new ATOM 0 HD21 LEU B 55 -15.595 -9.116 10.014 1.00 0.94 H new ATOM 0 HD22 LEU B 55 -13.907 -9.263 9.470 1.00 0.94 H new ATOM 0 HD23 LEU B 55 -15.238 -9.459 8.305 1.00 0.94 H new TER 1868 LEU B 55