USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=20 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+ -164:sc= 0.582 (180deg=-1.56!) USER MOD Set 1.2: B 53 SER OG : rot 59:sc= 0.958 USER MOD Set 2.1: B 2 LYS NZ :NH3+ -112:sc= -0.797 (180deg=-3.12!) USER MOD Set 2.2: B 25 THR OG1 : rot 73:sc= 0.0546 USER MOD Set 3.1: A 2 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.35) USER MOD Set 3.2: A 25 THR OG1 : rot 75:sc= 0.304 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.124 (180deg=-0.132) USER MOD Single : A 4 THR OG1 : rot 90:sc= -1.25! USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0216 (180deg=-0.254) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= 1.16 (180deg=-0.626!) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.1) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.586 USER MOD Single : A 53 SER OG : rot -86:sc= -2.37! USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -177:sc= -0.203 (180deg=-0.22) USER MOD Single : B 4 THR OG1 : rot 71:sc= -0.627! USER MOD Single : B 20 LYS NZ :NH3+ -165:sc= -0.0593 (180deg=-0.319) USER MOD Single : B 48 LYS NZ :NH3+ 136:sc= 1.29 (180deg=0.716) 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 7.538 -11.728 10.858 1.00 3.96 N ATOM 2 CA MET A 1 6.128 -11.694 10.403 1.00 3.42 C ATOM 3 C MET A 1 5.698 -10.270 10.067 1.00 2.72 C ATOM 4 O MET A 1 4.691 -10.068 9.387 1.00 3.29 O ATOM 5 CB MET A 1 5.193 -12.266 11.475 1.00 3.67 C ATOM 6 CG MET A 1 5.072 -11.403 12.723 1.00 4.16 C ATOM 7 SD MET A 1 3.895 -12.071 13.912 1.00 4.95 S ATOM 8 CE MET A 1 3.955 -10.818 15.192 1.00 5.91 C ATOM 0 H1 MET A 1 7.849 -12.716 10.951 1.00 3.96 H new ATOM 0 H2 MET A 1 8.139 -11.239 10.164 1.00 3.96 H new ATOM 0 H3 MET A 1 7.617 -11.252 11.779 1.00 3.96 H new ATOM 0 HA MET A 1 6.060 -12.308 9.505 1.00 3.42 H new ATOM 0 HB2 MET A 1 4.202 -12.400 11.042 1.00 3.67 H new ATOM 0 HB3 MET A 1 5.551 -13.254 11.764 1.00 3.67 H new ATOM 0 HG2 MET A 1 6.050 -11.314 13.196 1.00 4.16 H new ATOM 0 HG3 MET A 1 4.764 -10.397 12.437 1.00 4.16 H new ATOM 0 HE1 MET A 1 3.277 -11.091 16.000 1.00 5.91 H new ATOM 0 HE2 MET A 1 4.971 -10.743 15.580 1.00 5.91 H new ATOM 0 HE3 MET A 1 3.654 -9.857 14.775 1.00 5.91 H new ATOM 20 N LYS A 2 6.470 -9.291 10.545 1.00 1.76 N ATOM 21 CA LYS A 2 6.140 -7.880 10.377 1.00 1.11 C ATOM 22 C LYS A 2 4.719 -7.575 10.813 1.00 0.77 C ATOM 23 O LYS A 2 4.394 -7.649 11.996 1.00 0.80 O ATOM 24 CB LYS A 2 6.369 -7.423 8.930 1.00 0.64 C ATOM 25 CG LYS A 2 7.834 -7.272 8.559 1.00 0.98 C ATOM 26 CD LYS A 2 8.585 -6.422 9.574 1.00 1.79 C ATOM 27 CE LYS A 2 7.981 -5.036 9.721 1.00 2.66 C ATOM 28 NZ LYS A 2 8.524 -4.331 10.911 1.00 3.71 N ATOM 0 H LYS A 2 7.337 -9.456 11.057 1.00 1.76 H new ATOM 0 HA LYS A 2 6.813 -7.318 11.025 1.00 1.11 H new ATOM 0 HB2 LYS A 2 5.905 -8.141 8.254 1.00 0.64 H new ATOM 0 HB3 LYS A 2 5.865 -6.469 8.776 1.00 0.64 H new ATOM 0 HG2 LYS A 2 8.297 -8.257 8.495 1.00 0.98 H new ATOM 0 HG3 LYS A 2 7.915 -6.817 7.572 1.00 0.98 H new ATOM 0 HD2 LYS A 2 8.578 -6.924 10.542 1.00 1.79 H new ATOM 0 HD3 LYS A 2 9.628 -6.332 9.269 1.00 1.79 H new ATOM 0 HE2 LYS A 2 8.187 -4.451 8.825 1.00 2.66 H new ATOM 0 HE3 LYS A 2 6.897 -5.117 9.807 1.00 2.66 H new ATOM 0 HZ1 LYS A 2 8.372 -3.307 10.807 1.00 3.71 H new ATOM 0 HZ2 LYS A 2 8.038 -4.668 11.766 1.00 3.71 H new ATOM 0 HZ3 LYS A 2 9.543 -4.523 10.993 1.00 3.71 H new ATOM 42 N ALA A 3 3.895 -7.245 9.836 1.00 0.50 N ATOM 43 CA ALA A 3 2.497 -6.889 10.052 1.00 0.32 C ATOM 44 C ALA A 3 2.359 -5.700 10.997 1.00 0.37 C ATOM 45 O ALA A 3 2.261 -5.852 12.213 1.00 0.72 O ATOM 46 CB ALA A 3 1.697 -8.083 10.560 1.00 0.44 C ATOM 0 H ALA A 3 4.177 -7.215 8.856 1.00 0.50 H new ATOM 0 HA ALA A 3 2.086 -6.592 9.087 1.00 0.32 H new ATOM 0 HB1 ALA A 3 0.659 -7.787 10.712 1.00 0.44 H new ATOM 0 HB2 ALA A 3 1.741 -8.889 9.827 1.00 0.44 H new ATOM 0 HB3 ALA A 3 2.118 -8.428 11.505 1.00 0.44 H new ATOM 52 N THR A 4 2.364 -4.511 10.422 1.00 0.23 N ATOM 53 CA THR A 4 2.256 -3.293 11.197 1.00 0.26 C ATOM 54 C THR A 4 0.810 -2.987 11.564 1.00 0.27 C ATOM 55 O THR A 4 0.534 -2.468 12.644 1.00 0.41 O ATOM 56 CB THR A 4 2.880 -2.117 10.436 1.00 0.26 C ATOM 57 OG1 THR A 4 2.457 -2.144 9.067 1.00 0.23 O ATOM 58 CG2 THR A 4 4.397 -2.186 10.483 1.00 0.27 C ATOM 0 H THR A 4 2.442 -4.365 9.416 1.00 0.23 H new ATOM 0 HA THR A 4 2.806 -3.442 12.126 1.00 0.26 H new ATOM 0 HB THR A 4 2.551 -1.193 10.912 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.633 -1.623 8.969 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.817 -1.341 9.936 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.731 -2.149 11.520 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.733 -3.117 10.026 1.00 0.27 H new ATOM 66 N GLY A 5 -0.095 -3.315 10.656 1.00 0.21 N ATOM 67 CA GLY A 5 -1.509 -3.198 10.930 1.00 0.24 C ATOM 68 C GLY A 5 -1.913 -1.795 11.318 1.00 0.25 C ATOM 69 O GLY A 5 -2.614 -1.591 12.308 1.00 0.32 O ATOM 0 H GLY A 5 0.129 -3.664 9.724 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.072 -3.503 10.048 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -1.777 -3.884 11.733 1.00 0.24 H new ATOM 73 N ILE A 6 -1.459 -0.826 10.547 1.00 0.21 N ATOM 74 CA ILE A 6 -1.859 0.548 10.754 1.00 0.22 C ATOM 75 C ILE A 6 -2.837 0.942 9.664 1.00 0.19 C ATOM 76 O ILE A 6 -2.461 1.148 8.514 1.00 0.17 O ATOM 77 CB ILE A 6 -0.649 1.528 10.801 1.00 0.23 C ATOM 78 CG1 ILE A 6 -1.107 2.985 10.649 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.387 1.191 9.737 1.00 0.20 C ATOM 80 CD1 ILE A 6 -2.039 3.464 11.742 1.00 0.31 C ATOM 0 H ILE A 6 -0.812 -0.967 9.771 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.338 0.620 11.730 1.00 0.22 H new ATOM 0 HB ILE A 6 -0.183 1.411 11.779 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.228 3.629 10.629 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.607 3.098 9.687 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.216 1.896 9.800 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.758 0.179 9.898 1.00 0.20 H new ATOM 0 HG23 ILE A 6 -0.071 1.257 8.750 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -2.313 4.503 11.557 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -2.938 2.847 11.750 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.538 3.387 12.707 1.00 0.31 H new ATOM 92 N VAL A 7 -4.100 0.999 10.029 1.00 0.24 N ATOM 93 CA VAL A 7 -5.129 1.373 9.087 1.00 0.22 C ATOM 94 C VAL A 7 -5.080 2.865 8.834 1.00 0.23 C ATOM 95 O VAL A 7 -4.948 3.663 9.765 1.00 0.28 O ATOM 96 CB VAL A 7 -6.530 0.968 9.562 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.593 1.586 8.659 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.644 -0.546 9.580 1.00 0.23 C ATOM 0 H VAL A 7 -4.437 0.791 10.969 1.00 0.24 H new ATOM 0 HA VAL A 7 -4.932 0.834 8.160 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.691 1.341 10.574 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.583 1.291 9.007 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.508 2.672 8.687 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.449 1.237 7.636 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.640 -0.832 9.918 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.476 -0.936 8.576 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -5.898 -0.959 10.259 1.00 0.23 H new ATOM 108 N ARG A 8 -5.176 3.228 7.575 1.00 0.22 N ATOM 109 CA ARG A 8 -5.101 4.585 7.128 1.00 0.25 C ATOM 110 C ARG A 8 -6.270 4.804 6.184 1.00 0.23 C ATOM 111 O ARG A 8 -6.368 4.137 5.153 1.00 0.26 O ATOM 112 CB ARG A 8 -3.761 4.801 6.398 1.00 0.26 C ATOM 113 CG ARG A 8 -3.824 5.701 5.156 1.00 0.27 C ATOM 114 CD ARG A 8 -4.319 7.099 5.482 1.00 0.31 C ATOM 115 NE ARG A 8 -3.459 7.793 6.435 1.00 1.12 N ATOM 116 CZ ARG A 8 -3.409 9.117 6.556 1.00 1.16 C ATOM 117 NH1 ARG A 8 -4.137 9.894 5.757 1.00 0.64 N ATOM 118 NH2 ARG A 8 -2.625 9.657 7.478 1.00 1.99 N ATOM 0 H ARG A 8 -5.313 2.560 6.817 1.00 0.22 H new ATOM 0 HA ARG A 8 -5.151 5.289 7.958 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -3.049 5.232 7.102 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.368 3.829 6.101 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.834 5.765 4.705 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.483 5.248 4.415 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -4.380 7.682 4.563 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -5.329 7.037 5.888 1.00 0.31 H new ATOM 0 HE ARG A 8 -2.863 7.231 7.043 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -4.738 9.475 5.047 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -4.094 10.908 5.855 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -2.067 9.059 8.087 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -2.580 10.671 7.579 1.00 1.99 H new ATOM 132 N ARG A 9 -7.172 5.692 6.537 1.00 0.19 N ATOM 133 CA ARG A 9 -8.247 6.024 5.631 1.00 0.18 C ATOM 134 C ARG A 9 -7.698 6.971 4.583 1.00 0.20 C ATOM 135 O ARG A 9 -7.531 8.154 4.867 1.00 0.22 O ATOM 136 CB ARG A 9 -9.403 6.683 6.381 1.00 0.19 C ATOM 137 CG ARG A 9 -10.743 6.552 5.686 1.00 0.28 C ATOM 138 CD ARG A 9 -11.668 5.615 6.449 1.00 0.62 C ATOM 139 NE ARG A 9 -11.894 6.075 7.820 1.00 1.45 N ATOM 140 CZ ARG A 9 -13.034 5.916 8.490 1.00 1.80 C ATOM 141 NH1 ARG A 9 -14.050 5.252 7.949 1.00 1.59 N ATOM 142 NH2 ARG A 9 -13.145 6.404 9.718 1.00 2.80 N ATOM 0 H ARG A 9 -7.184 6.189 7.428 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.631 5.117 5.163 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.476 6.242 7.375 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -9.178 7.741 6.518 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -11.208 7.534 5.598 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.596 6.177 4.673 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -12.622 5.542 5.928 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.237 4.614 6.467 1.00 0.62 H new ATOM 0 HE ARG A 9 -11.126 6.550 8.295 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -13.961 4.858 7.012 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -14.919 5.136 8.471 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -12.360 6.897 10.144 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -14.015 6.286 10.237 1.00 2.80 H new ATOM 156 N ILE A 10 -7.422 6.408 3.393 1.00 0.21 N ATOM 157 CA ILE A 10 -6.815 7.111 2.237 1.00 0.24 C ATOM 158 C ILE A 10 -6.627 8.621 2.435 1.00 0.29 C ATOM 159 O ILE A 10 -5.721 9.037 3.171 1.00 0.33 O ATOM 160 CB ILE A 10 -7.597 6.836 0.919 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.097 6.594 1.174 1.00 0.21 C ATOM 162 CG2 ILE A 10 -6.994 5.637 0.221 1.00 0.21 C ATOM 163 CD1 ILE A 10 -9.736 7.584 2.117 1.00 0.22 C ATOM 0 H ILE A 10 -7.618 5.426 3.199 1.00 0.21 H new ATOM 0 HA ILE A 10 -5.814 6.688 2.158 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.514 7.721 0.289 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.625 6.625 0.221 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.227 5.590 1.578 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.539 5.441 -0.702 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -5.948 5.839 -0.011 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -7.060 4.766 0.873 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -10.791 7.340 2.240 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.238 7.538 3.085 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -9.641 8.590 1.708 1.00 0.22 H new ATOM 175 N ASP A 11 -7.486 9.418 1.784 1.00 0.30 N ATOM 176 CA ASP A 11 -7.480 10.868 1.901 1.00 0.36 C ATOM 177 C ASP A 11 -8.332 11.429 0.784 1.00 0.36 C ATOM 178 O ASP A 11 -9.114 10.695 0.195 1.00 0.36 O ATOM 179 CB ASP A 11 -6.050 11.452 1.843 1.00 0.37 C ATOM 180 CG ASP A 11 -5.472 11.564 0.440 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.117 10.534 -0.164 1.00 1.13 O ATOM 182 OD2 ASP A 11 -5.357 12.701 -0.061 1.00 1.12 O ATOM 0 H ASP A 11 -8.208 9.063 1.157 1.00 0.30 H new ATOM 0 HA ASP A 11 -7.886 11.149 2.873 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -6.056 12.442 2.300 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -5.391 10.827 2.445 1.00 0.37 H new ATOM 187 N ASP A 12 -8.183 12.707 0.487 1.00 0.41 N ATOM 188 CA ASP A 12 -8.984 13.349 -0.547 1.00 0.43 C ATOM 189 C ASP A 12 -8.491 12.974 -1.944 1.00 0.37 C ATOM 190 O ASP A 12 -9.113 13.328 -2.948 1.00 0.50 O ATOM 191 CB ASP A 12 -8.957 14.868 -0.377 1.00 0.54 C ATOM 192 CG ASP A 12 -9.543 15.317 0.947 1.00 1.38 C ATOM 193 OD1 ASP A 12 -10.781 15.281 1.099 1.00 1.98 O ATOM 194 OD2 ASP A 12 -8.765 15.712 1.842 1.00 2.26 O ATOM 0 H ASP A 12 -7.514 13.325 0.947 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.009 12.995 -0.440 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -7.928 15.220 -0.453 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -9.513 15.331 -1.192 1.00 0.54 H new ATOM 199 N LEU A 13 -7.369 12.266 -2.010 1.00 0.32 N ATOM 200 CA LEU A 13 -6.819 11.825 -3.282 1.00 0.29 C ATOM 201 C LEU A 13 -6.845 10.299 -3.391 1.00 0.24 C ATOM 202 O LEU A 13 -7.466 9.749 -4.301 1.00 0.26 O ATOM 203 CB LEU A 13 -5.399 12.370 -3.454 1.00 0.32 C ATOM 204 CG LEU A 13 -4.795 12.256 -4.859 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.243 10.864 -5.114 1.00 0.36 C ATOM 206 CD2 LEU A 13 -5.829 12.616 -5.916 1.00 0.53 C ATOM 0 H LEU A 13 -6.823 11.986 -1.195 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.439 12.219 -4.087 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.398 13.421 -3.165 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.745 11.847 -2.756 1.00 0.32 H new ATOM 0 HG LEU A 13 -3.967 12.962 -4.922 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -3.823 10.818 -6.119 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.464 10.642 -4.384 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -5.045 10.132 -5.022 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -5.382 12.529 -6.906 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.678 11.937 -5.840 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -6.168 13.640 -5.759 1.00 0.53 H new ATOM 218 N GLY A 14 -6.179 9.618 -2.466 1.00 0.21 N ATOM 219 CA GLY A 14 -6.132 8.171 -2.512 1.00 0.19 C ATOM 220 C GLY A 14 -4.771 7.608 -2.149 1.00 0.19 C ATOM 221 O GLY A 14 -4.503 6.432 -2.381 1.00 0.22 O ATOM 0 H GLY A 14 -5.673 10.041 -1.688 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.879 7.767 -1.829 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.402 7.836 -3.514 1.00 0.19 H new ATOM 225 N ARG A 15 -3.902 8.431 -1.577 1.00 0.19 N ATOM 226 CA ARG A 15 -2.611 7.938 -1.124 1.00 0.20 C ATOM 227 C ARG A 15 -2.790 7.201 0.171 1.00 0.17 C ATOM 228 O ARG A 15 -3.727 7.460 0.925 1.00 0.17 O ATOM 229 CB ARG A 15 -1.604 9.049 -0.861 1.00 0.25 C ATOM 230 CG ARG A 15 -1.517 10.099 -1.931 1.00 0.25 C ATOM 231 CD ARG A 15 -2.232 11.347 -1.485 1.00 0.29 C ATOM 232 NE ARG A 15 -1.824 12.511 -2.273 1.00 0.40 N ATOM 233 CZ ARG A 15 -2.391 13.714 -2.197 1.00 0.54 C ATOM 234 NH1 ARG A 15 -3.432 13.928 -1.406 1.00 0.67 N ATOM 235 NH2 ARG A 15 -1.916 14.711 -2.931 1.00 0.69 N ATOM 0 H ARG A 15 -4.064 9.425 -1.418 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.230 7.301 -1.922 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -1.859 9.534 0.081 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.618 8.601 -0.732 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.473 10.325 -2.146 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -1.960 9.727 -2.855 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.309 11.203 -1.577 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -2.024 11.529 -0.431 1.00 0.29 H new ATOM 0 HE ARG A 15 -1.050 12.393 -2.927 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -3.811 13.166 -0.844 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -3.855 14.855 -1.359 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -1.120 14.555 -3.550 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -2.346 15.634 -2.877 1.00 0.69 H new ATOM 249 N VAL A 16 -1.888 6.298 0.446 1.00 0.18 N ATOM 250 CA VAL A 16 -1.818 5.755 1.764 1.00 0.20 C ATOM 251 C VAL A 16 -0.560 6.273 2.395 1.00 0.19 C ATOM 252 O VAL A 16 0.551 6.024 1.929 1.00 0.21 O ATOM 253 CB VAL A 16 -1.945 4.214 1.816 1.00 0.29 C ATOM 254 CG1 VAL A 16 -2.230 3.641 0.439 1.00 1.11 C ATOM 255 CG2 VAL A 16 -0.743 3.536 2.455 1.00 1.24 C ATOM 0 H VAL A 16 -1.204 5.931 -0.216 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.684 6.086 2.338 1.00 0.20 H new ATOM 0 HB VAL A 16 -2.796 3.999 2.462 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -2.314 2.556 0.507 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -3.164 4.054 0.059 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -1.416 3.900 -0.239 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -0.895 2.457 2.461 1.00 1.24 H new ATOM 0 HG22 VAL A 16 0.155 3.773 1.884 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -0.626 3.891 3.479 1.00 1.24 H new ATOM 265 N VAL A 17 -0.754 7.104 3.386 1.00 0.20 N ATOM 266 CA VAL A 17 0.347 7.762 4.012 1.00 0.21 C ATOM 267 C VAL A 17 1.113 6.773 4.866 1.00 0.21 C ATOM 268 O VAL A 17 0.724 6.475 5.993 1.00 0.26 O ATOM 269 CB VAL A 17 -0.116 8.970 4.851 1.00 0.25 C ATOM 270 CG1 VAL A 17 1.072 9.669 5.488 1.00 0.28 C ATOM 271 CG2 VAL A 17 -0.929 9.932 3.986 1.00 0.27 C ATOM 0 H VAL A 17 -1.669 7.337 3.773 1.00 0.20 H new ATOM 0 HA VAL A 17 1.006 8.147 3.233 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.758 8.613 5.656 1.00 0.25 H new ATOM 0 HG11 VAL A 17 0.723 10.518 6.075 1.00 0.28 H new ATOM 0 HG12 VAL A 17 1.599 8.971 6.138 1.00 0.28 H new ATOM 0 HG13 VAL A 17 1.748 10.021 4.709 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -1.250 10.781 4.589 1.00 0.27 H new ATOM 0 HG22 VAL A 17 -0.313 10.287 3.159 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.804 9.416 3.591 1.00 0.27 H new ATOM 281 N ILE A 18 2.168 6.225 4.285 1.00 0.20 N ATOM 282 CA ILE A 18 3.000 5.255 4.962 1.00 0.22 C ATOM 283 C ILE A 18 4.070 5.960 5.782 1.00 0.20 C ATOM 284 O ILE A 18 4.957 6.617 5.234 1.00 0.21 O ATOM 285 CB ILE A 18 3.640 4.253 3.960 1.00 0.26 C ATOM 286 CG1 ILE A 18 2.623 3.182 3.574 1.00 0.42 C ATOM 287 CG2 ILE A 18 4.891 3.607 4.548 1.00 0.25 C ATOM 288 CD1 ILE A 18 3.186 2.122 2.656 1.00 0.77 C ATOM 0 H ILE A 18 2.467 6.442 3.334 1.00 0.20 H new ATOM 0 HA ILE A 18 2.366 4.679 5.636 1.00 0.22 H new ATOM 0 HB ILE A 18 3.936 4.805 3.068 1.00 0.26 H new ATOM 0 HG12 ILE A 18 2.247 2.705 4.479 1.00 0.42 H new ATOM 0 HG13 ILE A 18 1.772 3.658 3.088 1.00 0.42 H new ATOM 0 HG21 ILE A 18 5.316 2.912 3.824 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.624 4.379 4.782 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.629 3.068 5.458 1.00 0.25 H new ATOM 0 HD11 ILE A 18 2.410 1.393 2.422 1.00 0.77 H new ATOM 0 HD12 ILE A 18 3.536 2.587 1.735 1.00 0.77 H new ATOM 0 HD13 ILE A 18 4.019 1.620 3.148 1.00 0.77 H new ATOM 300 N PRO A 19 3.952 5.881 7.116 1.00 0.23 N ATOM 301 CA PRO A 19 4.965 6.385 8.037 1.00 0.26 C ATOM 302 C PRO A 19 6.366 5.944 7.649 1.00 0.24 C ATOM 303 O PRO A 19 6.577 4.826 7.171 1.00 0.23 O ATOM 304 CB PRO A 19 4.558 5.755 9.360 1.00 0.29 C ATOM 305 CG PRO A 19 3.082 5.677 9.268 1.00 0.32 C ATOM 306 CD PRO A 19 2.797 5.319 7.839 1.00 0.29 C ATOM 0 HA PRO A 19 5.006 7.474 8.054 1.00 0.26 H new ATOM 0 HB2 PRO A 19 5.004 4.769 9.489 1.00 0.29 H new ATOM 0 HB3 PRO A 19 4.876 6.362 10.208 1.00 0.29 H new ATOM 0 HG2 PRO A 19 2.684 4.925 9.950 1.00 0.32 H new ATOM 0 HG3 PRO A 19 2.620 6.627 9.536 1.00 0.32 H new ATOM 0 HD2 PRO A 19 2.721 4.240 7.701 1.00 0.29 H new ATOM 0 HD3 PRO A 19 1.857 5.751 7.495 1.00 0.29 H new ATOM 314 N LYS A 20 7.327 6.820 7.876 1.00 0.27 N ATOM 315 CA LYS A 20 8.709 6.548 7.526 1.00 0.28 C ATOM 316 C LYS A 20 9.241 5.318 8.248 1.00 0.25 C ATOM 317 O LYS A 20 10.265 4.787 7.863 1.00 0.26 O ATOM 318 CB LYS A 20 9.619 7.745 7.815 1.00 0.35 C ATOM 319 CG LYS A 20 9.490 8.299 9.228 1.00 0.40 C ATOM 320 CD LYS A 20 8.256 9.167 9.377 1.00 0.55 C ATOM 321 CE LYS A 20 8.382 10.475 8.606 1.00 0.77 C ATOM 322 NZ LYS A 20 9.459 11.344 9.151 1.00 1.57 N ATOM 0 H LYS A 20 7.174 7.733 8.305 1.00 0.27 H new ATOM 0 HA LYS A 20 8.719 6.357 6.453 1.00 0.28 H new ATOM 0 HB2 LYS A 20 10.654 7.450 7.646 1.00 0.35 H new ATOM 0 HB3 LYS A 20 9.394 8.539 7.103 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.444 7.475 9.940 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.378 8.882 9.473 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.383 8.620 9.022 1.00 0.55 H new ATOM 0 HD3 LYS A 20 8.090 9.383 10.432 1.00 0.55 H new ATOM 0 HE2 LYS A 20 8.587 10.259 7.557 1.00 0.77 H new ATOM 0 HE3 LYS A 20 7.433 11.009 8.642 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 9.349 12.308 8.777 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 9.396 11.366 10.189 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 10.386 10.967 8.868 1.00 1.57 H new ATOM 336 N GLU A 21 8.538 4.869 9.285 1.00 0.24 N ATOM 337 CA GLU A 21 8.968 3.714 10.068 1.00 0.24 C ATOM 338 C GLU A 21 8.900 2.413 9.260 1.00 0.22 C ATOM 339 O GLU A 21 9.594 1.437 9.571 1.00 0.23 O ATOM 340 CB GLU A 21 8.135 3.593 11.339 1.00 0.27 C ATOM 341 CG GLU A 21 6.671 3.293 11.091 1.00 0.35 C ATOM 342 CD GLU A 21 5.858 3.330 12.365 1.00 0.73 C ATOM 343 OE1 GLU A 21 5.474 4.441 12.788 1.00 1.32 O ATOM 344 OE2 GLU A 21 5.619 2.257 12.961 1.00 1.30 O ATOM 0 H GLU A 21 7.665 5.290 9.603 1.00 0.24 H new ATOM 0 HA GLU A 21 10.011 3.875 10.339 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.556 2.805 11.963 1.00 0.27 H new ATOM 0 HB3 GLU A 21 8.214 4.523 11.903 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.268 4.018 10.383 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.576 2.310 10.630 1.00 0.35 H new ATOM 351 N ILE A 22 8.124 2.409 8.184 1.00 0.23 N ATOM 352 CA ILE A 22 8.015 1.216 7.372 1.00 0.25 C ATOM 353 C ILE A 22 9.130 1.241 6.345 1.00 0.24 C ATOM 354 O ILE A 22 9.837 0.257 6.160 1.00 0.25 O ATOM 355 CB ILE A 22 6.639 1.091 6.685 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.537 1.036 7.743 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.590 -0.150 5.803 1.00 0.35 C ATOM 358 CD1 ILE A 22 4.909 2.374 8.051 1.00 0.25 C ATOM 0 H ILE A 22 7.573 3.204 7.862 1.00 0.23 H new ATOM 0 HA ILE A 22 8.108 0.343 8.017 1.00 0.25 H new ATOM 0 HB ILE A 22 6.482 1.964 6.052 1.00 0.29 H new ATOM 0 HG12 ILE A 22 4.759 0.351 7.406 1.00 0.27 H new ATOM 0 HG13 ILE A 22 5.951 0.621 8.662 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.612 -0.220 5.328 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.362 -0.082 5.036 1.00 0.35 H new ATOM 0 HG23 ILE A 22 6.761 -1.037 6.413 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.138 2.248 8.811 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.673 3.058 8.420 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.462 2.784 7.145 1.00 0.25 H new ATOM 370 N ARG A 23 9.323 2.411 5.737 1.00 0.23 N ATOM 371 CA ARG A 23 10.468 2.654 4.867 1.00 0.22 C ATOM 372 C ARG A 23 11.748 2.483 5.670 1.00 0.23 C ATOM 373 O ARG A 23 12.798 2.106 5.148 1.00 0.24 O ATOM 374 CB ARG A 23 10.391 4.061 4.274 1.00 0.24 C ATOM 375 CG ARG A 23 11.746 4.721 4.134 1.00 0.48 C ATOM 376 CD ARG A 23 11.802 5.998 4.938 1.00 0.39 C ATOM 377 NE ARG A 23 13.138 6.274 5.469 1.00 0.82 N ATOM 378 CZ ARG A 23 13.566 7.486 5.830 1.00 0.96 C ATOM 379 NH1 ARG A 23 12.867 8.568 5.521 1.00 1.34 N ATOM 380 NH2 ARG A 23 14.726 7.622 6.455 1.00 1.50 N ATOM 0 H ARG A 23 8.695 3.209 5.834 1.00 0.23 H new ATOM 0 HA ARG A 23 10.461 1.938 4.045 1.00 0.22 H new ATOM 0 HB2 ARG A 23 9.915 4.011 3.295 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.755 4.681 4.906 1.00 0.24 H new ATOM 0 HG2 ARG A 23 12.526 4.038 4.472 1.00 0.48 H new ATOM 0 HG3 ARG A 23 11.944 4.937 3.084 1.00 0.48 H new ATOM 0 HD2 ARG A 23 11.486 6.831 4.311 1.00 0.39 H new ATOM 0 HD3 ARG A 23 11.094 5.934 5.764 1.00 0.39 H new ATOM 0 HE ARG A 23 13.783 5.490 5.570 1.00 0.82 H new ATOM 0 HH11 ARG A 23 11.993 8.480 5.003 1.00 1.34 H new ATOM 0 HH12 ARG A 23 13.203 9.489 5.802 1.00 1.34 H new ATOM 0 HH21 ARG A 23 15.294 6.800 6.661 1.00 1.50 H new ATOM 0 HH22 ARG A 23 15.052 8.549 6.730 1.00 1.50 H new ATOM 394 N ARG A 24 11.640 2.789 6.946 1.00 0.24 N ATOM 395 CA ARG A 24 12.725 2.613 7.878 1.00 0.27 C ATOM 396 C ARG A 24 13.120 1.150 7.962 1.00 0.29 C ATOM 397 O ARG A 24 14.294 0.816 7.808 1.00 0.32 O ATOM 398 CB ARG A 24 12.335 3.140 9.250 1.00 0.31 C ATOM 399 CG ARG A 24 13.407 2.954 10.296 1.00 0.39 C ATOM 400 CD ARG A 24 13.004 3.577 11.623 1.00 0.45 C ATOM 401 NE ARG A 24 14.111 3.571 12.574 1.00 1.39 N ATOM 402 CZ ARG A 24 14.159 4.319 13.675 1.00 1.90 C ATOM 403 NH1 ARG A 24 13.136 5.097 14.008 1.00 1.52 N ATOM 404 NH2 ARG A 24 15.231 4.277 14.452 1.00 2.96 N ATOM 0 H ARG A 24 10.791 3.169 7.364 1.00 0.24 H new ATOM 0 HA ARG A 24 13.584 3.181 7.521 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.099 4.201 9.169 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.427 2.635 9.579 1.00 0.31 H new ATOM 0 HG2 ARG A 24 13.600 1.890 10.436 1.00 0.39 H new ATOM 0 HG3 ARG A 24 14.337 3.404 9.949 1.00 0.39 H new ATOM 0 HD2 ARG A 24 12.669 4.601 11.459 1.00 0.45 H new ATOM 0 HD3 ARG A 24 12.160 3.029 12.042 1.00 0.45 H new ATOM 0 HE ARG A 24 14.900 2.953 12.383 1.00 1.39 H new ATOM 0 HH11 ARG A 24 12.304 5.125 13.419 1.00 1.52 H new ATOM 0 HH12 ARG A 24 13.182 5.666 14.853 1.00 1.52 H new ATOM 0 HH21 ARG A 24 16.016 3.673 14.206 1.00 2.96 H new ATOM 0 HH22 ARG A 24 15.272 4.848 15.296 1.00 2.96 H new ATOM 418 N THR A 25 12.146 0.265 8.189 1.00 0.29 N ATOM 419 CA THR A 25 12.404 -1.167 8.160 1.00 0.31 C ATOM 420 C THR A 25 12.768 -1.623 6.740 1.00 0.30 C ATOM 421 O THR A 25 13.390 -2.663 6.539 1.00 0.33 O ATOM 422 CB THR A 25 11.156 -1.941 8.645 1.00 0.34 C ATOM 423 OG1 THR A 25 10.696 -1.397 9.893 1.00 0.36 O ATOM 424 CG2 THR A 25 11.459 -3.422 8.825 1.00 0.40 C ATOM 0 H THR A 25 11.179 0.518 8.393 1.00 0.29 H new ATOM 0 HA THR A 25 13.243 -1.376 8.824 1.00 0.31 H new ATOM 0 HB THR A 25 10.382 -1.835 7.885 1.00 0.34 H new ATOM 0 HG1 THR A 25 10.238 -0.546 9.730 1.00 0.36 H new ATOM 0 HG21 THR A 25 10.562 -3.938 9.167 1.00 0.40 H new ATOM 0 HG22 THR A 25 11.781 -3.846 7.874 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.251 -3.544 9.564 1.00 0.40 H new ATOM 432 N LEU A 26 12.365 -0.833 5.756 1.00 0.27 N ATOM 433 CA LEU A 26 12.742 -1.069 4.366 1.00 0.28 C ATOM 434 C LEU A 26 14.216 -0.740 4.146 1.00 0.31 C ATOM 435 O LEU A 26 14.815 -1.188 3.170 1.00 0.36 O ATOM 436 CB LEU A 26 11.872 -0.217 3.428 1.00 0.25 C ATOM 437 CG LEU A 26 10.725 -0.950 2.722 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.272 -2.049 1.832 1.00 0.32 C ATOM 439 CD2 LEU A 26 9.738 -1.526 3.723 1.00 0.26 C ATOM 0 H LEU A 26 11.771 -0.015 5.894 1.00 0.27 H new ATOM 0 HA LEU A 26 12.582 -2.124 4.142 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.450 0.606 4.005 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.517 0.224 2.668 1.00 0.25 H new ATOM 0 HG LEU A 26 10.193 -0.225 2.106 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.447 -2.561 1.337 1.00 0.32 H new ATOM 0 HD12 LEU A 26 11.932 -1.614 1.081 1.00 0.32 H new ATOM 0 HD13 LEU A 26 11.831 -2.763 2.437 1.00 0.32 H new ATOM 0 HD21 LEU A 26 8.937 -2.039 3.190 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.251 -2.233 4.375 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.316 -0.720 4.323 1.00 0.26 H new ATOM 451 N ARG A 27 14.791 0.030 5.078 1.00 0.32 N ATOM 452 CA ARG A 27 16.163 0.525 4.968 1.00 0.40 C ATOM 453 C ARG A 27 16.289 1.509 3.804 1.00 0.39 C ATOM 454 O ARG A 27 17.380 1.736 3.275 1.00 0.46 O ATOM 455 CB ARG A 27 17.153 -0.632 4.800 1.00 0.51 C ATOM 456 CG ARG A 27 17.484 -1.385 6.083 1.00 0.78 C ATOM 457 CD ARG A 27 16.366 -2.319 6.512 1.00 0.90 C ATOM 458 NE ARG A 27 16.753 -3.158 7.650 1.00 1.76 N ATOM 459 CZ ARG A 27 16.096 -4.258 8.032 1.00 2.28 C ATOM 460 NH1 ARG A 27 14.982 -4.624 7.410 1.00 2.36 N ATOM 461 NH2 ARG A 27 16.542 -4.984 9.049 1.00 3.20 N ATOM 0 H ARG A 27 14.315 0.326 5.930 1.00 0.32 H new ATOM 0 HA ARG A 27 16.406 1.048 5.893 1.00 0.40 H new ATOM 0 HB2 ARG A 27 16.745 -1.338 4.077 1.00 0.51 H new ATOM 0 HB3 ARG A 27 18.078 -0.241 4.377 1.00 0.51 H new ATOM 0 HG2 ARG A 27 18.398 -1.960 5.938 1.00 0.78 H new ATOM 0 HG3 ARG A 27 17.681 -0.669 6.881 1.00 0.78 H new ATOM 0 HD2 ARG A 27 15.486 -1.733 6.777 1.00 0.90 H new ATOM 0 HD3 ARG A 27 16.084 -2.955 5.673 1.00 0.90 H new ATOM 0 HE ARG A 27 17.577 -2.885 8.185 1.00 1.76 H new ATOM 0 HH11 ARG A 27 14.623 -4.065 6.636 1.00 2.36 H new ATOM 0 HH12 ARG A 27 14.485 -5.464 7.706 1.00 2.36 H new ATOM 0 HH21 ARG A 27 17.389 -4.704 9.543 1.00 3.20 H new ATOM 0 HH22 ARG A 27 16.038 -5.822 9.337 1.00 3.20 H new ATOM 475 N ILE A 28 15.165 2.106 3.426 1.00 0.33 N ATOM 476 CA ILE A 28 15.116 3.043 2.312 1.00 0.33 C ATOM 477 C ILE A 28 14.778 4.438 2.822 1.00 0.31 C ATOM 478 O ILE A 28 15.041 4.758 3.983 1.00 0.34 O ATOM 479 CB ILE A 28 14.097 2.579 1.246 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.105 1.051 1.183 1.00 0.44 C ATOM 481 CG2 ILE A 28 14.469 3.141 -0.127 1.00 0.38 C ATOM 482 CD1 ILE A 28 13.214 0.459 0.120 1.00 0.48 C ATOM 0 H ILE A 28 14.265 1.954 3.882 1.00 0.33 H new ATOM 0 HA ILE A 28 16.097 3.075 1.837 1.00 0.33 H new ATOM 0 HB ILE A 28 13.106 2.941 1.518 1.00 0.36 H new ATOM 0 HG12 ILE A 28 15.127 0.713 1.010 1.00 0.44 H new ATOM 0 HG13 ILE A 28 13.800 0.659 2.153 1.00 0.44 H new ATOM 0 HG21 ILE A 28 13.742 2.805 -0.867 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.469 4.230 -0.086 1.00 0.38 H new ATOM 0 HG23 ILE A 28 15.461 2.788 -0.408 1.00 0.38 H new ATOM 0 HD11 ILE A 28 13.284 -0.628 0.150 1.00 0.48 H new ATOM 0 HD12 ILE A 28 12.182 0.761 0.300 1.00 0.48 H new ATOM 0 HD13 ILE A 28 13.530 0.816 -0.860 1.00 0.48 H new ATOM 494 N ARG A 29 14.201 5.257 1.961 1.00 0.32 N ATOM 495 CA ARG A 29 13.937 6.657 2.263 1.00 0.32 C ATOM 496 C ARG A 29 12.911 7.226 1.306 1.00 0.30 C ATOM 497 O ARG A 29 12.126 6.478 0.721 1.00 0.28 O ATOM 498 CB ARG A 29 15.245 7.464 2.218 1.00 0.40 C ATOM 499 CG ARG A 29 16.222 7.004 1.141 1.00 0.58 C ATOM 500 CD ARG A 29 15.666 7.201 -0.256 1.00 0.64 C ATOM 501 NE ARG A 29 15.799 8.583 -0.719 1.00 0.92 N ATOM 502 CZ ARG A 29 16.057 8.927 -1.984 1.00 1.58 C ATOM 503 NH1 ARG A 29 16.252 7.993 -2.908 1.00 2.40 N ATOM 504 NH2 ARG A 29 16.139 10.208 -2.319 1.00 1.98 N ATOM 0 H ARG A 29 13.900 4.971 1.029 1.00 0.32 H new ATOM 0 HA ARG A 29 13.526 6.727 3.270 1.00 0.32 H new ATOM 0 HB2 ARG A 29 15.006 8.514 2.052 1.00 0.40 H new ATOM 0 HB3 ARG A 29 15.734 7.398 3.190 1.00 0.40 H new ATOM 0 HG2 ARG A 29 17.156 7.557 1.240 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.457 5.950 1.292 1.00 0.58 H new ATOM 0 HD2 ARG A 29 16.185 6.537 -0.948 1.00 0.64 H new ATOM 0 HD3 ARG A 29 14.614 6.916 -0.269 1.00 0.64 H new ATOM 0 HE ARG A 29 15.688 9.330 -0.033 1.00 0.92 H new ATOM 0 HH11 ARG A 29 16.205 7.006 -2.654 1.00 2.40 H new ATOM 0 HH12 ARG A 29 16.449 8.262 -3.872 1.00 2.40 H new ATOM 0 HH21 ARG A 29 16.005 10.930 -1.611 1.00 1.98 H new ATOM 0 HH22 ARG A 29 16.336 10.471 -3.285 1.00 1.98 H new ATOM 518 N GLU A 30 12.932 8.541 1.139 1.00 0.34 N ATOM 519 CA GLU A 30 12.004 9.224 0.248 1.00 0.36 C ATOM 520 C GLU A 30 12.388 9.010 -1.208 1.00 0.35 C ATOM 521 O GLU A 30 12.379 9.927 -2.029 1.00 0.44 O ATOM 522 CB GLU A 30 11.955 10.709 0.586 1.00 0.45 C ATOM 523 CG GLU A 30 11.033 11.005 1.749 1.00 0.50 C ATOM 524 CD GLU A 30 11.595 10.589 3.095 1.00 0.62 C ATOM 525 OE1 GLU A 30 12.349 11.385 3.696 1.00 1.23 O ATOM 526 OE2 GLU A 30 11.270 9.479 3.568 1.00 1.08 O ATOM 0 H GLU A 30 13.588 9.161 1.614 1.00 0.34 H new ATOM 0 HA GLU A 30 11.010 8.801 0.392 1.00 0.36 H new ATOM 0 HB2 GLU A 30 12.960 11.058 0.824 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.623 11.267 -0.289 1.00 0.45 H new ATOM 0 HG2 GLU A 30 10.820 12.074 1.769 1.00 0.50 H new ATOM 0 HG3 GLU A 30 10.084 10.494 1.588 1.00 0.50 H new ATOM 533 N GLY A 31 12.719 7.762 -1.501 1.00 0.30 N ATOM 534 CA GLY A 31 13.047 7.340 -2.837 1.00 0.30 C ATOM 535 C GLY A 31 12.835 5.847 -3.003 1.00 0.30 C ATOM 536 O GLY A 31 13.477 5.203 -3.832 1.00 0.36 O ATOM 0 H GLY A 31 12.765 7.015 -0.808 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.430 7.881 -3.555 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.085 7.590 -3.057 1.00 0.30 H new ATOM 540 N ASP A 32 11.934 5.305 -2.193 1.00 0.28 N ATOM 541 CA ASP A 32 11.551 3.897 -2.273 1.00 0.31 C ATOM 542 C ASP A 32 10.450 3.712 -3.308 1.00 0.28 C ATOM 543 O ASP A 32 9.394 4.343 -3.234 1.00 0.31 O ATOM 544 CB ASP A 32 11.081 3.403 -0.908 1.00 0.38 C ATOM 545 CG ASP A 32 10.454 2.018 -0.953 1.00 0.43 C ATOM 546 OD1 ASP A 32 10.943 1.158 -1.715 1.00 1.07 O ATOM 547 OD2 ASP A 32 9.472 1.798 -0.221 1.00 1.26 O ATOM 0 H ASP A 32 11.448 5.826 -1.463 1.00 0.28 H new ATOM 0 HA ASP A 32 12.419 3.312 -2.577 1.00 0.31 H new ATOM 0 HB2 ASP A 32 11.929 3.388 -0.223 1.00 0.38 H new ATOM 0 HB3 ASP A 32 10.356 4.109 -0.503 1.00 0.38 H new ATOM 552 N PRO A 33 10.706 2.865 -4.298 1.00 0.23 N ATOM 553 CA PRO A 33 9.811 2.635 -5.417 1.00 0.26 C ATOM 554 C PRO A 33 8.824 1.509 -5.202 1.00 0.47 C ATOM 555 O PRO A 33 8.851 0.545 -5.932 1.00 1.30 O ATOM 556 CB PRO A 33 10.753 2.193 -6.538 1.00 0.22 C ATOM 557 CG PRO A 33 12.116 2.044 -5.915 1.00 0.14 C ATOM 558 CD PRO A 33 11.914 2.068 -4.427 1.00 0.23 C ATOM 0 HA PRO A 33 9.217 3.530 -5.601 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.421 1.251 -6.975 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.772 2.929 -7.342 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.584 1.111 -6.227 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.776 2.853 -6.229 1.00 0.14 H new ATOM 0 HD2 PRO A 33 11.787 1.066 -4.016 1.00 0.23 H new ATOM 0 HD3 PRO A 33 12.759 2.521 -3.908 1.00 0.23 H new ATOM 566 N LEU A 34 7.949 1.606 -4.248 1.00 0.29 N ATOM 567 CA LEU A 34 7.030 0.511 -4.029 1.00 0.21 C ATOM 568 C LEU A 34 6.146 0.251 -5.249 1.00 0.22 C ATOM 569 O LEU A 34 5.840 1.132 -6.033 1.00 0.27 O ATOM 570 CB LEU A 34 6.145 0.723 -2.792 1.00 0.23 C ATOM 571 CG LEU A 34 6.706 1.635 -1.704 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.344 3.086 -1.981 1.00 0.38 C ATOM 573 CD2 LEU A 34 6.188 1.210 -0.337 1.00 0.38 C ATOM 0 H LEU A 34 7.845 2.404 -3.621 1.00 0.29 H new ATOM 0 HA LEU A 34 7.656 -0.364 -3.855 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.190 1.132 -3.121 1.00 0.23 H new ATOM 0 HB3 LEU A 34 5.939 -0.251 -2.348 1.00 0.23 H new ATOM 0 HG LEU A 34 7.792 1.546 -1.708 1.00 0.31 H new ATOM 0 HD11 LEU A 34 6.753 3.720 -1.194 1.00 0.38 H new ATOM 0 HD12 LEU A 34 6.760 3.388 -2.942 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.259 3.192 -2.005 1.00 0.38 H new ATOM 0 HD21 LEU A 34 6.597 1.870 0.428 1.00 0.38 H new ATOM 0 HD22 LEU A 34 5.100 1.271 -0.325 1.00 0.38 H new ATOM 0 HD23 LEU A 34 6.496 0.184 -0.134 1.00 0.38 H new ATOM 585 N GLU A 35 5.723 -0.981 -5.317 1.00 0.20 N ATOM 586 CA GLU A 35 4.937 -1.506 -6.412 1.00 0.20 C ATOM 587 C GLU A 35 3.548 -1.703 -5.909 1.00 0.16 C ATOM 588 O GLU A 35 3.349 -2.508 -5.025 1.00 0.16 O ATOM 589 CB GLU A 35 5.487 -2.843 -6.923 1.00 0.22 C ATOM 590 CG GLU A 35 4.665 -3.455 -8.054 1.00 0.23 C ATOM 591 CD GLU A 35 5.200 -4.797 -8.507 1.00 0.34 C ATOM 592 OE1 GLU A 35 6.390 -4.884 -8.860 1.00 1.12 O ATOM 593 OE2 GLU A 35 4.435 -5.785 -8.484 1.00 0.95 O ATOM 0 H GLU A 35 5.919 -1.672 -4.593 1.00 0.20 H new ATOM 0 HA GLU A 35 4.970 -0.804 -7.245 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.510 -2.696 -7.268 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.529 -3.549 -6.094 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.633 -3.573 -7.724 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.653 -2.769 -8.901 1.00 0.23 H new ATOM 600 N ILE A 36 2.608 -0.949 -6.427 1.00 0.14 N ATOM 601 CA ILE A 36 1.235 -1.058 -5.997 1.00 0.11 C ATOM 602 C ILE A 36 0.550 -2.147 -6.795 1.00 0.10 C ATOM 603 O ILE A 36 0.298 -1.989 -7.991 1.00 0.14 O ATOM 604 CB ILE A 36 0.475 0.287 -6.183 1.00 0.12 C ATOM 605 CG1 ILE A 36 0.980 1.357 -5.208 1.00 0.15 C ATOM 606 CG2 ILE A 36 -1.027 0.101 -6.019 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.380 1.861 -5.495 1.00 0.39 C ATOM 0 H ILE A 36 2.771 -0.249 -7.151 1.00 0.14 H new ATOM 0 HA ILE A 36 1.223 -1.306 -4.936 1.00 0.11 H new ATOM 0 HB ILE A 36 0.674 0.627 -7.199 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.292 2.202 -5.229 1.00 0.15 H new ATOM 0 HG13 ILE A 36 0.955 0.950 -4.197 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.529 1.059 -6.155 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.389 -0.608 -6.764 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.239 -0.282 -5.021 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.654 2.614 -4.756 1.00 0.39 H new ATOM 0 HD12 ILE A 36 3.083 1.030 -5.444 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.411 2.302 -6.491 1.00 0.39 H new ATOM 619 N PHE A 37 0.292 -3.264 -6.148 1.00 0.09 N ATOM 620 CA PHE A 37 -0.431 -4.340 -6.783 1.00 0.10 C ATOM 621 C PHE A 37 -1.233 -5.107 -5.747 1.00 0.09 C ATOM 622 O PHE A 37 -0.697 -5.612 -4.772 1.00 0.09 O ATOM 623 CB PHE A 37 0.525 -5.247 -7.581 1.00 0.12 C ATOM 624 CG PHE A 37 1.108 -6.417 -6.837 1.00 0.16 C ATOM 625 CD1 PHE A 37 2.303 -6.292 -6.152 1.00 1.10 C ATOM 626 CD2 PHE A 37 0.470 -7.649 -6.842 1.00 1.12 C ATOM 627 CE1 PHE A 37 2.849 -7.368 -5.483 1.00 1.15 C ATOM 628 CE2 PHE A 37 1.012 -8.729 -6.175 1.00 1.12 C ATOM 629 CZ PHE A 37 2.203 -8.589 -5.494 1.00 0.35 C ATOM 0 H PHE A 37 0.572 -3.448 -5.185 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.137 -3.925 -7.502 1.00 0.10 H new ATOM 0 HB2 PHE A 37 -0.010 -5.627 -8.451 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.346 -4.635 -7.954 1.00 0.12 H new ATOM 0 HD1 PHE A 37 2.815 -5.341 -6.141 1.00 1.10 H new ATOM 0 HD2 PHE A 37 -0.462 -7.764 -7.375 1.00 1.12 H new ATOM 0 HE1 PHE A 37 3.782 -7.256 -4.950 1.00 1.15 H new ATOM 0 HE2 PHE A 37 0.504 -9.682 -6.186 1.00 1.12 H new ATOM 0 HZ PHE A 37 2.630 -9.432 -4.971 1.00 0.35 H new ATOM 639 N VAL A 38 -2.531 -5.146 -5.943 1.00 0.09 N ATOM 640 CA VAL A 38 -3.418 -5.813 -5.004 1.00 0.09 C ATOM 641 C VAL A 38 -3.415 -7.312 -5.241 1.00 0.11 C ATOM 642 O VAL A 38 -3.429 -7.778 -6.381 1.00 0.17 O ATOM 643 CB VAL A 38 -4.854 -5.230 -5.080 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.283 -5.030 -6.526 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.861 -6.114 -4.352 1.00 0.11 C ATOM 0 H VAL A 38 -3.001 -4.724 -6.744 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.047 -5.631 -3.995 1.00 0.09 H new ATOM 0 HB VAL A 38 -4.834 -4.261 -4.581 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.293 -4.621 -6.553 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.598 -4.338 -7.016 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.266 -5.988 -7.046 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.855 -5.672 -4.428 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.869 -7.105 -4.805 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.580 -6.197 -3.302 1.00 0.11 H new ATOM 655 N ASP A 39 -3.378 -8.047 -4.144 1.00 0.09 N ATOM 656 CA ASP A 39 -3.181 -9.485 -4.177 1.00 0.12 C ATOM 657 C ASP A 39 -4.441 -10.213 -4.602 1.00 0.16 C ATOM 658 O ASP A 39 -4.388 -11.168 -5.377 1.00 0.18 O ATOM 659 CB ASP A 39 -2.759 -9.987 -2.793 1.00 0.19 C ATOM 660 CG ASP A 39 -2.082 -11.342 -2.853 1.00 0.23 C ATOM 661 OD1 ASP A 39 -2.788 -12.371 -2.788 1.00 1.04 O ATOM 662 OD2 ASP A 39 -0.840 -11.387 -2.963 1.00 1.11 O ATOM 0 H ASP A 39 -3.484 -7.664 -3.205 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.399 -9.691 -4.908 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -2.081 -9.265 -2.338 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.636 -10.050 -2.149 1.00 0.19 H new ATOM 667 N ARG A 40 -5.580 -9.757 -4.101 1.00 0.32 N ATOM 668 CA ARG A 40 -6.808 -10.517 -4.243 1.00 0.43 C ATOM 669 C ARG A 40 -8.056 -9.629 -4.286 1.00 0.43 C ATOM 670 O ARG A 40 -8.643 -9.435 -5.351 1.00 0.49 O ATOM 671 CB ARG A 40 -6.890 -11.540 -3.108 1.00 0.53 C ATOM 672 CG ARG A 40 -6.180 -11.079 -1.850 1.00 0.53 C ATOM 673 CD ARG A 40 -5.589 -12.239 -1.075 1.00 0.72 C ATOM 674 NE ARG A 40 -4.897 -11.793 0.135 1.00 1.09 N ATOM 675 CZ ARG A 40 -5.291 -12.098 1.370 1.00 1.66 C ATOM 676 NH1 ARG A 40 -6.344 -12.879 1.553 1.00 2.22 N ATOM 677 NH2 ARG A 40 -4.618 -11.638 2.414 1.00 2.29 N ATOM 0 H ARG A 40 -5.677 -8.875 -3.599 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.782 -11.032 -5.204 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.937 -11.737 -2.877 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -6.454 -12.482 -3.441 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -5.388 -10.380 -2.116 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -6.882 -10.539 -1.215 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -6.382 -12.935 -0.803 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -4.892 -12.783 -1.712 1.00 0.72 H new ATOM 0 HE ARG A 40 -4.064 -11.215 0.026 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -6.852 -13.246 0.749 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -6.647 -13.113 2.498 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -3.797 -11.049 2.272 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -4.921 -11.872 3.359 1.00 2.29 H new ATOM 691 N ASP A 41 -8.464 -9.092 -3.142 1.00 0.47 N ATOM 692 CA ASP A 41 -9.696 -8.310 -3.076 1.00 0.52 C ATOM 693 C ASP A 41 -9.405 -6.828 -2.943 1.00 0.43 C ATOM 694 O ASP A 41 -9.561 -6.060 -3.893 1.00 0.50 O ATOM 695 CB ASP A 41 -10.553 -8.751 -1.891 1.00 0.57 C ATOM 696 CG ASP A 41 -11.870 -7.994 -1.820 1.00 0.96 C ATOM 697 OD1 ASP A 41 -12.732 -8.215 -2.703 1.00 1.53 O ATOM 698 OD2 ASP A 41 -12.058 -7.183 -0.887 1.00 1.34 O ATOM 0 H ASP A 41 -7.967 -9.181 -2.256 1.00 0.47 H new ATOM 0 HA ASP A 41 -10.236 -8.485 -4.007 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -10.754 -9.820 -1.968 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -9.997 -8.597 -0.966 1.00 0.57 H new ATOM 703 N GLY A 42 -8.981 -6.445 -1.754 1.00 0.32 N ATOM 704 CA GLY A 42 -8.752 -5.052 -1.455 1.00 0.26 C ATOM 705 C GLY A 42 -7.462 -4.843 -0.710 1.00 0.18 C ATOM 706 O GLY A 42 -7.217 -3.775 -0.158 1.00 0.18 O ATOM 0 H GLY A 42 -8.789 -7.083 -0.981 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.732 -4.480 -2.383 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.581 -4.667 -0.861 1.00 0.26 H new ATOM 710 N GLU A 43 -6.642 -5.880 -0.683 1.00 0.15 N ATOM 711 CA GLU A 43 -5.325 -5.792 -0.093 1.00 0.12 C ATOM 712 C GLU A 43 -4.304 -5.436 -1.153 1.00 0.08 C ATOM 713 O GLU A 43 -3.970 -6.257 -2.007 1.00 0.09 O ATOM 714 CB GLU A 43 -4.917 -7.092 0.602 1.00 0.14 C ATOM 715 CG GLU A 43 -5.535 -8.348 0.013 1.00 0.53 C ATOM 716 CD GLU A 43 -6.955 -8.582 0.471 1.00 1.00 C ATOM 717 OE1 GLU A 43 -7.164 -8.851 1.667 1.00 1.30 O ATOM 718 OE2 GLU A 43 -7.860 -8.506 -0.383 1.00 1.97 O ATOM 0 H GLU A 43 -6.871 -6.797 -1.067 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.360 -5.009 0.665 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -3.832 -7.184 0.562 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -5.193 -7.027 1.655 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -5.517 -8.278 -1.075 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -4.925 -9.209 0.287 1.00 0.53 H new ATOM 725 N VAL A 44 -3.836 -4.204 -1.110 1.00 0.07 N ATOM 726 CA VAL A 44 -2.829 -3.737 -2.040 1.00 0.07 C ATOM 727 C VAL A 44 -1.458 -4.051 -1.489 1.00 0.07 C ATOM 728 O VAL A 44 -1.184 -3.826 -0.322 1.00 0.08 O ATOM 729 CB VAL A 44 -2.900 -2.221 -2.283 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.208 -1.868 -3.589 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.340 -1.723 -2.275 1.00 0.12 C ATOM 0 H VAL A 44 -4.141 -3.504 -0.434 1.00 0.07 H new ATOM 0 HA VAL A 44 -3.014 -4.245 -2.986 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.380 -1.720 -1.467 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.264 -0.792 -3.751 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.163 -2.174 -3.541 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -2.700 -2.385 -4.413 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.354 -0.647 -2.450 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -4.903 -2.226 -3.061 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.794 -1.939 -1.308 1.00 0.12 H new ATOM 741 N ILE A 45 -0.606 -4.563 -2.329 1.00 0.08 N ATOM 742 CA ILE A 45 0.723 -4.946 -1.921 1.00 0.08 C ATOM 743 C ILE A 45 1.713 -3.994 -2.556 1.00 0.11 C ATOM 744 O ILE A 45 1.762 -3.892 -3.773 1.00 0.14 O ATOM 745 CB ILE A 45 1.045 -6.390 -2.344 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.277 -7.401 -1.477 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.549 -6.654 -2.253 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.225 -7.270 -1.488 1.00 0.08 C ATOM 0 H ILE A 45 -0.808 -4.728 -3.315 1.00 0.08 H new ATOM 0 HA ILE A 45 0.788 -4.897 -0.834 1.00 0.08 H new ATOM 0 HB ILE A 45 0.729 -6.515 -3.380 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.537 -8.406 -1.808 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.623 -7.305 -0.448 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.757 -7.680 -2.556 1.00 0.11 H new ATOM 0 HG22 ILE A 45 3.080 -5.966 -2.912 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.883 -6.504 -1.226 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.661 -8.033 -0.843 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.507 -6.282 -1.124 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.594 -7.400 -2.505 1.00 0.08 H new ATOM 760 N LEU A 46 2.438 -3.274 -1.721 1.00 0.11 N ATOM 761 CA LEU A 46 3.430 -2.303 -2.161 1.00 0.13 C ATOM 762 C LEU A 46 4.820 -2.876 -1.996 1.00 0.11 C ATOM 763 O LEU A 46 5.244 -3.197 -0.894 1.00 0.17 O ATOM 764 CB LEU A 46 3.304 -1.026 -1.340 1.00 0.20 C ATOM 765 CG LEU A 46 1.878 -0.654 -0.986 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.886 0.469 0.024 1.00 0.19 C ATOM 767 CD2 LEU A 46 1.100 -0.256 -2.228 1.00 0.23 C ATOM 0 H LEU A 46 2.356 -3.345 -0.707 1.00 0.11 H new ATOM 0 HA LEU A 46 3.258 -2.073 -3.213 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.877 -1.141 -0.420 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.755 -0.204 -1.896 1.00 0.20 H new ATOM 0 HG LEU A 46 1.383 -1.521 -0.549 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.861 0.737 0.279 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.411 0.146 0.923 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.393 1.336 -0.400 1.00 0.19 H new ATOM 0 HD21 LEU A 46 0.079 0.007 -1.949 1.00 0.23 H new ATOM 0 HD22 LEU A 46 1.580 0.602 -2.699 1.00 0.23 H new ATOM 0 HD23 LEU A 46 1.081 -1.091 -2.929 1.00 0.23 H new ATOM 779 N LYS A 47 5.515 -2.990 -3.098 1.00 0.15 N ATOM 780 CA LYS A 47 6.784 -3.698 -3.153 1.00 0.27 C ATOM 781 C LYS A 47 7.925 -2.791 -3.630 1.00 0.16 C ATOM 782 O LYS A 47 7.809 -2.168 -4.659 1.00 0.15 O ATOM 783 CB LYS A 47 6.554 -4.842 -4.119 1.00 0.63 C ATOM 784 CG LYS A 47 7.789 -5.436 -4.750 1.00 0.29 C ATOM 785 CD LYS A 47 7.418 -6.054 -6.082 1.00 0.55 C ATOM 786 CE LYS A 47 6.279 -7.050 -5.929 1.00 0.69 C ATOM 787 NZ LYS A 47 5.866 -7.630 -7.236 1.00 0.76 N ATOM 0 H LYS A 47 5.222 -2.595 -3.992 1.00 0.15 H new ATOM 0 HA LYS A 47 7.088 -4.048 -2.166 1.00 0.27 H new ATOM 0 HB2 LYS A 47 6.023 -5.635 -3.592 1.00 0.63 H new ATOM 0 HB3 LYS A 47 5.896 -4.492 -4.915 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.547 -4.665 -4.891 1.00 0.29 H new ATOM 0 HG3 LYS A 47 8.221 -6.191 -4.093 1.00 0.29 H new ATOM 0 HD2 LYS A 47 7.127 -5.270 -6.781 1.00 0.55 H new ATOM 0 HD3 LYS A 47 8.287 -6.555 -6.508 1.00 0.55 H new ATOM 0 HE2 LYS A 47 6.586 -7.852 -5.258 1.00 0.69 H new ATOM 0 HE3 LYS A 47 5.425 -6.556 -5.466 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 5.600 -8.627 -7.105 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.052 -7.100 -7.609 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 6.657 -7.569 -7.909 1.00 0.76 H new ATOM 801 N LYS A 48 9.034 -2.781 -2.895 1.00 0.19 N ATOM 802 CA LYS A 48 10.193 -1.877 -3.133 1.00 0.15 C ATOM 803 C LYS A 48 10.655 -1.742 -4.603 1.00 0.14 C ATOM 804 O LYS A 48 11.471 -0.880 -4.912 1.00 0.17 O ATOM 805 CB LYS A 48 11.361 -2.361 -2.290 1.00 0.17 C ATOM 806 CG LYS A 48 11.420 -3.873 -2.186 1.00 0.19 C ATOM 807 CD LYS A 48 11.836 -4.322 -0.798 1.00 0.20 C ATOM 808 CE LYS A 48 13.297 -4.014 -0.510 1.00 0.21 C ATOM 809 NZ LYS A 48 13.756 -4.634 0.762 1.00 0.32 N ATOM 0 H LYS A 48 9.170 -3.405 -2.100 1.00 0.19 H new ATOM 0 HA LYS A 48 9.850 -0.881 -2.853 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.292 -1.994 -2.722 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.283 -1.935 -1.290 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.444 -4.293 -2.427 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.125 -4.262 -2.921 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.209 -3.829 -0.055 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.666 -5.394 -0.698 1.00 0.20 H new ATOM 0 HE2 LYS A 48 13.913 -4.376 -1.333 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.437 -2.934 -0.458 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 14.783 -4.792 0.720 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.535 -4.000 1.557 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 13.271 -5.544 0.899 1.00 0.32 H new ATOM 823 N TYR A 49 10.172 -2.622 -5.471 1.00 0.14 N ATOM 824 CA TYR A 49 10.402 -2.576 -6.925 1.00 0.16 C ATOM 825 C TYR A 49 11.846 -2.858 -7.336 1.00 0.17 C ATOM 826 O TYR A 49 12.108 -3.726 -8.166 1.00 0.24 O ATOM 827 CB TYR A 49 10.021 -1.238 -7.531 1.00 0.19 C ATOM 828 CG TYR A 49 10.451 -1.074 -8.977 1.00 0.24 C ATOM 829 CD1 TYR A 49 9.992 -1.934 -9.969 1.00 1.03 C ATOM 830 CD2 TYR A 49 11.328 -0.060 -9.345 1.00 1.22 C ATOM 831 CE1 TYR A 49 10.391 -1.786 -11.283 1.00 1.01 C ATOM 832 CE2 TYR A 49 11.731 0.093 -10.657 1.00 1.28 C ATOM 833 CZ TYR A 49 11.259 -0.771 -11.622 1.00 0.40 C ATOM 834 OH TYR A 49 11.661 -0.621 -12.929 1.00 0.49 O ATOM 0 H TYR A 49 9.593 -3.411 -5.184 1.00 0.14 H new ATOM 0 HA TYR A 49 9.760 -3.371 -7.305 1.00 0.16 H new ATOM 0 HB2 TYR A 49 8.940 -1.116 -7.468 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.467 -0.441 -6.937 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.312 -2.731 -9.707 1.00 1.03 H new ATOM 0 HD2 TYR A 49 11.700 0.619 -8.592 1.00 1.22 H new ATOM 0 HE1 TYR A 49 10.024 -2.462 -12.041 1.00 1.01 H new ATOM 0 HE2 TYR A 49 12.413 0.886 -10.926 1.00 1.28 H new ATOM 0 HH TYR A 49 12.272 0.142 -12.998 1.00 0.49 H new ATOM 844 N SER A 50 12.761 -2.067 -6.797 1.00 0.19 N ATOM 845 CA SER A 50 14.164 -2.109 -7.180 1.00 0.25 C ATOM 846 C SER A 50 14.750 -3.531 -7.076 1.00 0.28 C ATOM 847 O SER A 50 15.400 -3.996 -8.014 1.00 0.34 O ATOM 848 CB SER A 50 14.950 -1.079 -6.357 1.00 0.37 C ATOM 849 OG SER A 50 14.654 0.240 -6.792 1.00 1.36 O ATOM 0 H SER A 50 12.550 -1.375 -6.078 1.00 0.19 H new ATOM 0 HA SER A 50 14.252 -1.839 -8.232 1.00 0.25 H new ATOM 0 HB2 SER A 50 14.702 -1.184 -5.301 1.00 0.37 H new ATOM 0 HB3 SER A 50 16.019 -1.268 -6.453 1.00 0.37 H new ATOM 0 HG SER A 50 15.162 0.883 -6.255 1.00 1.36 H new ATOM 855 N PRO A 51 14.534 -4.249 -5.958 1.00 0.32 N ATOM 856 CA PRO A 51 14.827 -5.680 -5.880 1.00 0.42 C ATOM 857 C PRO A 51 13.605 -6.525 -6.207 1.00 0.45 C ATOM 858 O PRO A 51 13.603 -7.741 -6.016 1.00 0.58 O ATOM 859 CB PRO A 51 15.178 -5.857 -4.420 1.00 0.52 C ATOM 860 CG PRO A 51 14.291 -4.886 -3.711 1.00 0.46 C ATOM 861 CD PRO A 51 14.056 -3.735 -4.659 1.00 0.36 C ATOM 0 HA PRO A 51 15.603 -5.987 -6.581 1.00 0.42 H new ATOM 0 HB2 PRO A 51 14.996 -6.879 -4.088 1.00 0.52 H new ATOM 0 HB3 PRO A 51 16.231 -5.644 -4.235 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.348 -5.356 -3.433 1.00 0.46 H new ATOM 0 HG3 PRO A 51 14.758 -4.538 -2.789 1.00 0.46 H new ATOM 0 HD2 PRO A 51 13.002 -3.459 -4.701 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.607 -2.845 -4.353 1.00 0.36 H new ATOM 869 N ILE A 52 12.570 -5.856 -6.718 1.00 0.37 N ATOM 870 CA ILE A 52 11.259 -6.461 -6.920 1.00 0.46 C ATOM 871 C ILE A 52 10.823 -7.103 -5.613 1.00 0.61 C ATOM 872 O ILE A 52 11.054 -6.539 -4.541 1.00 0.61 O ATOM 873 CB ILE A 52 11.281 -7.502 -8.065 1.00 0.62 C ATOM 874 CG1 ILE A 52 12.406 -7.167 -9.042 1.00 0.51 C ATOM 875 CG2 ILE A 52 9.939 -7.518 -8.797 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.498 -8.108 -10.222 1.00 0.69 C ATOM 0 H ILE A 52 12.621 -4.878 -7.003 1.00 0.37 H new ATOM 0 HA ILE A 52 10.548 -5.689 -7.214 1.00 0.46 H new ATOM 0 HB ILE A 52 11.455 -8.491 -7.640 1.00 0.62 H new ATOM 0 HG12 ILE A 52 12.262 -6.151 -9.411 1.00 0.51 H new ATOM 0 HG13 ILE A 52 13.355 -7.180 -8.506 1.00 0.51 H new ATOM 0 HG21 ILE A 52 9.971 -8.255 -9.599 1.00 0.78 H new ATOM 0 HG22 ILE A 52 9.146 -7.778 -8.096 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.742 -6.532 -9.218 1.00 0.78 H new ATOM 0 HD11 ILE A 52 13.321 -7.802 -10.868 1.00 0.69 H new ATOM 0 HD12 ILE A 52 12.674 -9.123 -9.865 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.565 -8.078 -10.785 1.00 0.69 H new ATOM 888 N SER A 53 10.191 -8.251 -5.684 1.00 0.85 N ATOM 889 CA SER A 53 9.941 -9.014 -4.490 1.00 1.06 C ATOM 890 C SER A 53 10.858 -10.227 -4.459 1.00 1.29 C ATOM 891 O SER A 53 10.759 -11.103 -5.325 1.00 1.96 O ATOM 892 CB SER A 53 8.483 -9.456 -4.395 1.00 1.21 C ATOM 893 OG SER A 53 7.683 -8.460 -3.784 1.00 1.67 O ATOM 0 H SER A 53 9.845 -8.671 -6.547 1.00 0.85 H new ATOM 0 HA SER A 53 10.146 -8.374 -3.632 1.00 1.06 H new ATOM 0 HB2 SER A 53 8.100 -9.672 -5.393 1.00 1.21 H new ATOM 0 HB3 SER A 53 8.418 -10.381 -3.822 1.00 1.21 H new ATOM 0 HG SER A 53 7.720 -8.562 -2.810 1.00 1.67 H new ATOM 899 N GLU A 54 11.772 -10.241 -3.491 1.00 1.17 N ATOM 900 CA GLU A 54 12.669 -11.373 -3.241 1.00 1.35 C ATOM 901 C GLU A 54 13.777 -11.505 -4.293 1.00 1.52 C ATOM 902 O GLU A 54 14.879 -11.952 -3.970 1.00 2.38 O ATOM 903 CB GLU A 54 11.867 -12.667 -3.144 1.00 1.52 C ATOM 904 CG GLU A 54 10.844 -12.657 -2.024 1.00 1.95 C ATOM 905 CD GLU A 54 9.953 -13.873 -2.039 1.00 2.29 C ATOM 906 OE1 GLU A 54 9.012 -13.917 -2.861 1.00 2.89 O ATOM 907 OE2 GLU A 54 10.160 -14.777 -1.206 1.00 2.47 O ATOM 0 H GLU A 54 11.914 -9.460 -2.850 1.00 1.17 H new ATOM 0 HA GLU A 54 13.167 -11.179 -2.291 1.00 1.35 H new ATOM 0 HB2 GLU A 54 11.357 -12.842 -4.091 1.00 1.52 H new ATOM 0 HB3 GLU A 54 12.553 -13.501 -2.993 1.00 1.52 H new ATOM 0 HG2 GLU A 54 11.361 -12.602 -1.066 1.00 1.95 H new ATOM 0 HG3 GLU A 54 10.230 -11.760 -2.107 1.00 1.95 H new ATOM 914 N LEU A 55 13.480 -11.116 -5.532 1.00 1.27 N ATOM 915 CA LEU A 55 14.419 -11.217 -6.653 1.00 1.43 C ATOM 916 C LEU A 55 14.748 -12.682 -6.931 1.00 2.04 C ATOM 917 O LEU A 55 15.760 -13.187 -6.403 1.00 2.28 O ATOM 918 CB LEU A 55 15.695 -10.400 -6.379 1.00 1.60 C ATOM 919 CG LEU A 55 16.427 -9.859 -7.620 1.00 1.53 C ATOM 920 CD1 LEU A 55 17.003 -10.983 -8.471 1.00 2.27 C ATOM 921 CD2 LEU A 55 15.490 -8.994 -8.452 1.00 1.11 C ATOM 922 OXT LEU A 55 13.975 -13.328 -7.666 1.00 2.65 O ATOM 0 H LEU A 55 12.576 -10.719 -5.790 1.00 1.27 H new ATOM 0 HA LEU A 55 13.948 -10.797 -7.541 1.00 1.43 H new ATOM 0 HB2 LEU A 55 15.433 -9.557 -5.740 1.00 1.60 H new ATOM 0 HB3 LEU A 55 16.389 -11.024 -5.815 1.00 1.60 H new ATOM 0 HG LEU A 55 17.260 -9.249 -7.271 1.00 1.53 H new ATOM 0 HD11 LEU A 55 17.512 -10.560 -9.337 1.00 2.27 H new ATOM 0 HD12 LEU A 55 17.714 -11.560 -7.879 1.00 2.27 H new ATOM 0 HD13 LEU A 55 16.197 -11.635 -8.807 1.00 2.27 H new ATOM 0 HD21 LEU A 55 16.022 -8.618 -9.326 1.00 1.11 H new ATOM 0 HD22 LEU A 55 14.636 -9.589 -8.775 1.00 1.11 H new ATOM 0 HD23 LEU A 55 15.141 -8.154 -7.851 1.00 1.11 H new TER 934 LEU A 55 ATOM 935 N MET B 1 -6.587 -12.531 -10.377 1.00 3.94 N ATOM 936 CA MET B 1 -5.293 -12.396 -9.667 1.00 3.42 C ATOM 937 C MET B 1 -5.032 -10.944 -9.289 1.00 2.74 C ATOM 938 O MET B 1 -4.173 -10.663 -8.449 1.00 3.34 O ATOM 939 CB MET B 1 -4.143 -12.897 -10.549 1.00 3.88 C ATOM 940 CG MET B 1 -3.924 -12.051 -11.794 1.00 4.32 C ATOM 941 SD MET B 1 -2.519 -12.598 -12.780 1.00 5.25 S ATOM 942 CE MET B 1 -2.556 -11.384 -14.099 1.00 6.17 C ATOM 0 H1 MET B 1 -6.769 -13.535 -10.580 1.00 3.94 H new ATOM 0 H2 MET B 1 -7.351 -12.155 -9.780 1.00 3.94 H new ATOM 0 H3 MET B 1 -6.550 -11.998 -11.270 1.00 3.94 H new ATOM 0 HA MET B 1 -5.347 -12.999 -8.760 1.00 3.42 H new ATOM 0 HB2 MET B 1 -3.225 -12.911 -9.962 1.00 3.88 H new ATOM 0 HB3 MET B 1 -4.346 -13.925 -10.848 1.00 3.88 H new ATOM 0 HG2 MET B 1 -4.824 -12.079 -12.408 1.00 4.32 H new ATOM 0 HG3 MET B 1 -3.771 -11.013 -11.499 1.00 4.32 H new ATOM 0 HE1 MET B 1 -1.745 -11.583 -14.799 1.00 6.17 H new ATOM 0 HE2 MET B 1 -3.510 -11.444 -14.622 1.00 6.17 H new ATOM 0 HE3 MET B 1 -2.435 -10.386 -13.678 1.00 6.17 H new ATOM 954 N LYS B 2 -5.776 -10.029 -9.913 1.00 1.78 N ATOM 955 CA LYS B 2 -5.541 -8.601 -9.768 1.00 1.13 C ATOM 956 C LYS B 2 -4.131 -8.248 -10.204 1.00 0.88 C ATOM 957 O LYS B 2 -3.785 -8.391 -11.375 1.00 1.16 O ATOM 958 CB LYS B 2 -5.806 -8.125 -8.332 1.00 0.55 C ATOM 959 CG LYS B 2 -7.277 -8.112 -7.952 1.00 1.01 C ATOM 960 CD LYS B 2 -8.095 -7.263 -8.917 1.00 1.83 C ATOM 961 CE LYS B 2 -7.551 -5.844 -9.023 1.00 2.68 C ATOM 962 NZ LYS B 2 -8.334 -5.018 -9.981 1.00 3.61 N ATOM 0 H LYS B 2 -6.554 -10.261 -10.530 1.00 1.78 H new ATOM 0 HA LYS B 2 -6.246 -8.081 -10.417 1.00 1.13 H new ATOM 0 HB2 LYS B 2 -5.267 -8.772 -7.640 1.00 0.55 H new ATOM 0 HB3 LYS B 2 -5.400 -7.121 -8.211 1.00 0.55 H new ATOM 0 HG2 LYS B 2 -7.662 -9.132 -7.947 1.00 1.01 H new ATOM 0 HG3 LYS B 2 -7.389 -7.724 -6.940 1.00 1.01 H new ATOM 0 HD2 LYS B 2 -8.092 -7.728 -9.903 1.00 1.83 H new ATOM 0 HD3 LYS B 2 -9.132 -7.231 -8.583 1.00 1.83 H new ATOM 0 HE2 LYS B 2 -7.569 -5.374 -8.040 1.00 2.68 H new ATOM 0 HE3 LYS B 2 -6.509 -5.878 -9.341 1.00 2.68 H new ATOM 0 HZ1 LYS B 2 -7.747 -4.800 -10.812 1.00 3.61 H new ATOM 0 HZ2 LYS B 2 -9.179 -5.544 -10.282 1.00 3.61 H new ATOM 0 HZ3 LYS B 2 -8.624 -4.132 -9.520 1.00 3.61 H new ATOM 976 N ALA B 3 -3.341 -7.814 -9.243 1.00 0.51 N ATOM 977 CA ALA B 3 -1.953 -7.428 -9.464 1.00 0.33 C ATOM 978 C ALA B 3 -1.834 -6.314 -10.496 1.00 0.42 C ATOM 979 O ALA B 3 -1.748 -6.557 -11.698 1.00 0.86 O ATOM 980 CB ALA B 3 -1.107 -8.632 -9.860 1.00 0.48 C ATOM 0 H ALA B 3 -3.644 -7.717 -8.274 1.00 0.51 H new ATOM 0 HA ALA B 3 -1.570 -7.039 -8.520 1.00 0.33 H new ATOM 0 HB1 ALA B 3 -0.076 -8.316 -10.019 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -1.140 -9.377 -9.065 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -1.499 -9.066 -10.780 1.00 0.48 H new ATOM 986 N THR B 4 -1.839 -5.085 -10.013 1.00 0.24 N ATOM 987 CA THR B 4 -1.771 -3.930 -10.881 1.00 0.26 C ATOM 988 C THR B 4 -0.331 -3.585 -11.246 1.00 0.30 C ATOM 989 O THR B 4 -0.051 -3.142 -12.358 1.00 0.43 O ATOM 990 CB THR B 4 -2.475 -2.738 -10.225 1.00 0.26 C ATOM 991 OG1 THR B 4 -2.083 -2.640 -8.850 1.00 0.27 O ATOM 992 CG2 THR B 4 -3.985 -2.900 -10.299 1.00 0.26 C ATOM 0 H THR B 4 -1.890 -4.863 -9.019 1.00 0.24 H new ATOM 0 HA THR B 4 -2.286 -4.172 -11.810 1.00 0.26 H new ATOM 0 HB THR B 4 -2.187 -1.833 -10.760 1.00 0.26 H new ATOM 0 HG1 THR B 4 -1.153 -2.335 -8.796 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.466 -2.043 -9.828 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.294 -2.961 -11.343 1.00 0.26 H new ATOM 0 HG23 THR B 4 -4.279 -3.812 -9.780 1.00 0.26 H new ATOM 1000 N GLY B 5 0.567 -3.800 -10.297 1.00 0.23 N ATOM 1001 CA GLY B 5 1.985 -3.627 -10.538 1.00 0.25 C ATOM 1002 C GLY B 5 2.342 -2.231 -10.990 1.00 0.26 C ATOM 1003 O GLY B 5 3.065 -2.051 -11.967 1.00 0.33 O ATOM 0 H GLY B 5 0.334 -4.096 -9.349 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.534 -3.859 -9.625 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.309 -4.342 -11.295 1.00 0.25 H new ATOM 1007 N ILE B 6 1.830 -1.241 -10.282 1.00 0.21 N ATOM 1008 CA ILE B 6 2.173 0.138 -10.564 1.00 0.22 C ATOM 1009 C ILE B 6 3.128 0.644 -9.497 1.00 0.19 C ATOM 1010 O ILE B 6 2.739 0.902 -8.364 1.00 0.16 O ATOM 1011 CB ILE B 6 0.924 1.061 -10.682 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.316 2.543 -10.571 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.129 0.708 -9.641 1.00 0.21 C ATOM 1014 CD1 ILE B 6 2.262 3.021 -11.654 1.00 0.30 C ATOM 0 H ILE B 6 1.176 -1.367 -9.509 1.00 0.21 H new ATOM 0 HA ILE B 6 2.659 0.169 -11.539 1.00 0.22 H new ATOM 0 HB ILE B 6 0.491 0.895 -11.668 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.411 3.149 -10.602 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.780 2.712 -9.599 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -0.987 1.371 -9.752 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.448 -0.325 -9.782 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.293 0.824 -8.643 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.487 4.076 -11.501 1.00 0.30 H new ATOM 0 HD12 ILE B 6 3.185 2.443 -11.611 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.795 2.887 -12.630 1.00 0.30 H new ATOM 1026 N VAL B 7 4.388 0.743 -9.866 1.00 0.24 N ATOM 1027 CA VAL B 7 5.412 1.206 -8.950 1.00 0.22 C ATOM 1028 C VAL B 7 5.301 2.710 -8.760 1.00 0.24 C ATOM 1029 O VAL B 7 5.144 3.457 -9.726 1.00 0.27 O ATOM 1030 CB VAL B 7 6.821 0.826 -9.446 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.891 1.619 -8.707 1.00 0.24 C ATOM 1032 CG2 VAL B 7 7.039 -0.671 -9.272 1.00 0.23 C ATOM 0 H VAL B 7 4.730 0.508 -10.798 1.00 0.24 H new ATOM 0 HA VAL B 7 5.256 0.715 -7.989 1.00 0.22 H new ATOM 0 HB VAL B 7 6.900 1.074 -10.504 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.876 1.332 -9.075 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.736 2.685 -8.876 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.828 1.408 -7.639 1.00 0.24 H new ATOM 0 HG21 VAL B 7 8.036 -0.937 -9.624 1.00 0.23 H new ATOM 0 HG22 VAL B 7 6.944 -0.932 -8.218 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.293 -1.217 -9.850 1.00 0.23 H new ATOM 1042 N ARG B 8 5.371 3.146 -7.515 1.00 0.23 N ATOM 1043 CA ARG B 8 5.302 4.540 -7.158 1.00 0.25 C ATOM 1044 C ARG B 8 6.448 4.806 -6.197 1.00 0.23 C ATOM 1045 O ARG B 8 6.533 4.176 -5.144 1.00 0.26 O ATOM 1046 CB ARG B 8 3.934 4.866 -6.497 1.00 0.29 C ATOM 1047 CG ARG B 8 3.983 5.788 -5.261 1.00 0.27 C ATOM 1048 CD ARG B 8 4.642 7.128 -5.546 1.00 0.24 C ATOM 1049 NE ARG B 8 3.935 7.922 -6.549 1.00 0.99 N ATOM 1050 CZ ARG B 8 3.957 9.258 -6.582 1.00 0.92 C ATOM 1051 NH1 ARG B 8 4.579 9.942 -5.628 1.00 0.53 N ATOM 1052 NH2 ARG B 8 3.362 9.914 -7.569 1.00 1.69 N ATOM 0 H ARG B 8 5.479 2.525 -6.713 1.00 0.23 H new ATOM 0 HA ARG B 8 5.387 5.175 -8.040 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.292 5.330 -7.246 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.460 3.928 -6.207 1.00 0.29 H new ATOM 0 HG2 ARG B 8 2.968 5.958 -4.900 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.526 5.285 -4.461 1.00 0.27 H new ATOM 0 HD2 ARG B 8 4.703 7.699 -4.619 1.00 0.24 H new ATOM 0 HD3 ARG B 8 5.664 6.957 -5.883 1.00 0.24 H new ATOM 0 HE ARG B 8 3.396 7.430 -7.262 1.00 0.99 H new ATOM 0 HH11 ARG B 8 5.043 9.448 -4.866 1.00 0.53 H new ATOM 0 HH12 ARG B 8 4.593 10.961 -5.658 1.00 0.53 H new ATOM 0 HH21 ARG B 8 2.884 9.399 -8.308 1.00 1.69 H new ATOM 0 HH22 ARG B 8 3.382 10.934 -7.589 1.00 1.69 H new ATOM 1066 N ARG B 9 7.342 5.703 -6.557 1.00 0.20 N ATOM 1067 CA ARG B 9 8.383 6.083 -5.636 1.00 0.19 C ATOM 1068 C ARG B 9 7.810 7.058 -4.634 1.00 0.20 C ATOM 1069 O ARG B 9 7.626 8.228 -4.964 1.00 0.21 O ATOM 1070 CB ARG B 9 9.561 6.713 -6.362 1.00 0.18 C ATOM 1071 CG ARG B 9 10.768 6.884 -5.478 1.00 0.24 C ATOM 1072 CD ARG B 9 12.025 7.089 -6.296 1.00 0.62 C ATOM 1073 NE ARG B 9 12.054 8.394 -6.948 1.00 1.35 N ATOM 1074 CZ ARG B 9 13.061 8.822 -7.702 1.00 1.74 C ATOM 1075 NH1 ARG B 9 14.128 8.054 -7.891 1.00 1.51 N ATOM 1076 NH2 ARG B 9 12.999 10.020 -8.263 1.00 2.71 N ATOM 0 H ARG B 9 7.367 6.172 -7.462 1.00 0.20 H new ATOM 0 HA ARG B 9 8.749 5.191 -5.128 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.828 6.093 -7.218 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.263 7.685 -6.754 1.00 0.18 H new ATOM 0 HG2 ARG B 9 10.619 7.737 -4.817 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.884 6.005 -4.843 1.00 0.24 H new ATOM 0 HD2 ARG B 9 12.897 6.989 -5.650 1.00 0.62 H new ATOM 0 HD3 ARG B 9 12.096 6.306 -7.051 1.00 0.62 H new ATOM 0 HE ARG B 9 11.255 9.014 -6.817 1.00 1.35 H new ATOM 0 HH11 ARG B 9 14.176 7.132 -7.457 1.00 1.51 H new ATOM 0 HH12 ARG B 9 14.899 8.386 -8.470 1.00 1.51 H new ATOM 0 HH21 ARG B 9 12.180 10.610 -8.116 1.00 2.71 H new ATOM 0 HH22 ARG B 9 13.770 10.352 -8.842 1.00 2.71 H new ATOM 1090 N ILE B 10 7.548 6.535 -3.425 1.00 0.22 N ATOM 1091 CA ILE B 10 6.895 7.261 -2.314 1.00 0.25 C ATOM 1092 C ILE B 10 6.687 8.753 -2.577 1.00 0.30 C ATOM 1093 O ILE B 10 5.741 9.121 -3.282 1.00 0.34 O ATOM 1094 CB ILE B 10 7.649 7.047 -0.972 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.153 6.778 -1.192 1.00 0.22 C ATOM 1096 CG2 ILE B 10 7.006 5.897 -0.228 1.00 0.21 C ATOM 1097 CD1 ILE B 10 9.818 7.753 -2.132 1.00 0.23 C ATOM 0 H ILE B 10 7.788 5.574 -3.183 1.00 0.22 H new ATOM 0 HA ILE B 10 5.899 6.824 -2.239 1.00 0.25 H new ATOM 0 HB ILE B 10 7.575 7.961 -0.382 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.663 6.812 -0.229 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.278 5.768 -1.583 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.527 5.738 0.716 1.00 0.21 H new ATOM 0 HG22 ILE B 10 5.960 6.131 -0.030 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.067 4.993 -0.833 1.00 0.21 H new ATOM 0 HD11 ILE B 10 10.873 7.498 -2.235 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.336 7.704 -3.108 1.00 0.23 H new ATOM 0 HD13 ILE B 10 9.727 8.763 -1.733 1.00 0.23 H new ATOM 1109 N ASP B 11 7.571 9.581 -2.014 1.00 0.32 N ATOM 1110 CA ASP B 11 7.592 11.022 -2.238 1.00 0.39 C ATOM 1111 C ASP B 11 8.389 11.651 -1.127 1.00 0.40 C ATOM 1112 O ASP B 11 9.185 10.974 -0.496 1.00 0.42 O ATOM 1113 CB ASP B 11 6.188 11.647 -2.287 1.00 0.43 C ATOM 1114 CG ASP B 11 5.477 11.700 -0.946 1.00 0.33 C ATOM 1115 OD1 ASP B 11 5.679 10.807 -0.104 1.00 1.18 O ATOM 1116 OD2 ASP B 11 4.707 12.655 -0.733 1.00 1.08 O ATOM 0 H ASP B 11 8.303 9.260 -1.380 1.00 0.32 H new ATOM 0 HA ASP B 11 8.043 11.207 -3.213 1.00 0.39 H new ATOM 0 HB2 ASP B 11 6.268 12.660 -2.682 1.00 0.43 H new ATOM 0 HB3 ASP B 11 5.575 11.079 -2.987 1.00 0.43 H new ATOM 1121 N ASP B 12 8.161 12.924 -0.865 1.00 0.44 N ATOM 1122 CA ASP B 12 8.882 13.621 0.190 1.00 0.47 C ATOM 1123 C ASP B 12 8.168 13.485 1.528 1.00 0.43 C ATOM 1124 O ASP B 12 8.359 14.304 2.429 1.00 0.63 O ATOM 1125 CB ASP B 12 9.071 15.093 -0.164 1.00 0.58 C ATOM 1126 CG ASP B 12 10.283 15.317 -1.038 1.00 1.42 C ATOM 1127 OD1 ASP B 12 11.396 15.466 -0.486 1.00 1.78 O ATOM 1128 OD2 ASP B 12 10.137 15.336 -2.279 1.00 2.39 O ATOM 0 H ASP B 12 7.483 13.499 -1.366 1.00 0.44 H new ATOM 0 HA ASP B 12 9.864 13.157 0.281 1.00 0.47 H new ATOM 0 HB2 ASP B 12 8.182 15.459 -0.678 1.00 0.58 H new ATOM 0 HB3 ASP B 12 9.172 15.675 0.752 1.00 0.58 H new ATOM 1133 N LEU B 13 7.348 12.452 1.660 1.00 0.34 N ATOM 1134 CA LEU B 13 6.687 12.167 2.920 1.00 0.28 C ATOM 1135 C LEU B 13 6.717 10.668 3.193 1.00 0.23 C ATOM 1136 O LEU B 13 7.202 10.231 4.237 1.00 0.25 O ATOM 1137 CB LEU B 13 5.249 12.685 2.891 1.00 0.27 C ATOM 1138 CG LEU B 13 4.575 12.841 4.256 1.00 0.29 C ATOM 1139 CD1 LEU B 13 4.174 11.491 4.833 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.498 13.581 5.212 1.00 0.40 C ATOM 0 H LEU B 13 7.126 11.799 0.909 1.00 0.34 H new ATOM 0 HA LEU B 13 7.216 12.677 3.725 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.240 13.652 2.389 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.649 12.006 2.285 1.00 0.27 H new ATOM 0 HG LEU B 13 3.664 13.425 4.122 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.698 11.637 5.803 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.475 10.999 4.156 1.00 0.32 H new ATOM 0 HD13 LEU B 13 5.061 10.869 4.954 1.00 0.32 H new ATOM 0 HD21 LEU B 13 5.009 13.687 6.181 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.424 13.019 5.332 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.723 14.569 4.809 1.00 0.40 H new ATOM 1152 N GLY B 14 6.212 9.890 2.247 1.00 0.21 N ATOM 1153 CA GLY B 14 6.147 8.458 2.421 1.00 0.18 C ATOM 1154 C GLY B 14 4.786 7.893 2.071 1.00 0.17 C ATOM 1155 O GLY B 14 4.491 6.738 2.367 1.00 0.20 O ATOM 0 H GLY B 14 5.845 10.230 1.358 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.905 7.985 1.797 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.385 8.210 3.455 1.00 0.18 H new ATOM 1159 N ARG B 15 3.943 8.699 1.441 1.00 0.18 N ATOM 1160 CA ARG B 15 2.655 8.204 0.983 1.00 0.20 C ATOM 1161 C ARG B 15 2.853 7.333 -0.227 1.00 0.18 C ATOM 1162 O ARG B 15 3.794 7.512 -1.000 1.00 0.20 O ATOM 1163 CB ARG B 15 1.702 9.319 0.568 1.00 0.29 C ATOM 1164 CG ARG B 15 1.581 10.457 1.542 1.00 0.24 C ATOM 1165 CD ARG B 15 2.171 11.706 0.930 1.00 0.42 C ATOM 1166 NE ARG B 15 1.690 12.923 1.586 1.00 0.52 N ATOM 1167 CZ ARG B 15 2.302 14.107 1.527 1.00 0.51 C ATOM 1168 NH1 ARG B 15 3.405 14.266 0.810 1.00 0.87 N ATOM 1169 NH2 ARG B 15 1.802 15.141 2.187 1.00 0.90 N ATOM 0 H ARG B 15 4.124 9.682 1.238 1.00 0.18 H new ATOM 0 HA ARG B 15 2.222 7.661 1.823 1.00 0.20 H new ATOM 0 HB2 ARG B 15 2.031 9.717 -0.392 1.00 0.29 H new ATOM 0 HB3 ARG B 15 0.712 8.889 0.412 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.534 10.623 1.796 1.00 0.24 H new ATOM 0 HG3 ARG B 15 2.099 10.213 2.469 1.00 0.24 H new ATOM 0 HD2 ARG B 15 3.258 11.664 0.999 1.00 0.42 H new ATOM 0 HD3 ARG B 15 1.920 11.743 -0.130 1.00 0.42 H new ATOM 0 HE ARG B 15 0.827 12.861 2.126 1.00 0.52 H new ATOM 0 HH11 ARG B 15 3.796 13.478 0.294 1.00 0.87 H new ATOM 0 HH12 ARG B 15 3.863 15.177 0.774 1.00 0.87 H new ATOM 0 HH21 ARG B 15 0.951 15.031 2.739 1.00 0.90 H new ATOM 0 HH22 ARG B 15 2.268 16.047 2.144 1.00 0.90 H new ATOM 1183 N VAL B 16 1.954 6.411 -0.398 1.00 0.18 N ATOM 1184 CA VAL B 16 1.867 5.690 -1.629 1.00 0.19 C ATOM 1185 C VAL B 16 0.621 6.141 -2.335 1.00 0.17 C ATOM 1186 O VAL B 16 -0.498 5.843 -1.919 1.00 0.20 O ATOM 1187 CB VAL B 16 1.896 4.167 -1.423 1.00 0.27 C ATOM 1188 CG1 VAL B 16 1.208 3.778 -0.136 1.00 1.15 C ATOM 1189 CG2 VAL B 16 1.273 3.442 -2.599 1.00 1.27 C ATOM 0 H VAL B 16 1.267 6.140 0.305 1.00 0.18 H new ATOM 0 HA VAL B 16 2.742 5.907 -2.242 1.00 0.19 H new ATOM 0 HB VAL B 16 2.941 3.866 -1.355 1.00 0.27 H new ATOM 0 HG11 VAL B 16 1.244 2.695 -0.017 1.00 1.15 H new ATOM 0 HG12 VAL B 16 1.714 4.252 0.705 1.00 1.15 H new ATOM 0 HG13 VAL B 16 0.169 4.105 -0.166 1.00 1.15 H new ATOM 0 HG21 VAL B 16 1.308 2.367 -2.424 1.00 1.27 H new ATOM 0 HG22 VAL B 16 0.236 3.757 -2.713 1.00 1.27 H new ATOM 0 HG23 VAL B 16 1.826 3.680 -3.508 1.00 1.27 H new ATOM 1199 N VAL B 17 0.828 6.930 -3.365 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.266 7.553 -4.055 1.00 0.19 C ATOM 1201 C VAL B 17 -1.014 6.519 -4.872 1.00 0.19 C ATOM 1202 O VAL B 17 -0.610 6.181 -5.983 1.00 0.22 O ATOM 1203 CB VAL B 17 0.207 8.705 -4.958 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -0.983 9.414 -5.583 1.00 0.27 C ATOM 1205 CG2 VAL B 17 1.083 9.678 -4.173 1.00 0.25 C ATOM 0 H VAL B 17 1.750 7.153 -3.740 1.00 0.18 H new ATOM 0 HA VAL B 17 -0.934 7.979 -3.306 1.00 0.19 H new ATOM 0 HB VAL B 17 0.811 8.290 -5.765 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -0.630 10.226 -6.219 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -1.554 8.706 -6.183 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -1.619 9.819 -4.796 1.00 0.27 H new ATOM 0 HG21 VAL B 17 1.408 10.486 -4.829 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.512 10.093 -3.342 1.00 0.25 H new ATOM 0 HG23 VAL B 17 1.956 9.151 -3.787 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.071 5.986 -4.283 1.00 0.19 N ATOM 1216 CA ILE B 18 -2.881 4.982 -4.933 1.00 0.20 C ATOM 1217 C ILE B 18 -3.967 5.636 -5.774 1.00 0.18 C ATOM 1218 O ILE B 18 -4.859 6.312 -5.256 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.497 3.989 -3.911 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.441 2.969 -3.486 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -4.725 3.290 -4.488 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -2.968 1.894 -2.559 1.00 0.82 C ATOM 0 H ILE B 18 -2.387 6.238 -3.346 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.230 4.407 -5.591 1.00 0.20 H new ATOM 0 HB ILE B 18 -3.824 4.550 -3.035 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -2.027 2.497 -4.377 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -1.622 3.492 -2.992 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -5.133 2.601 -3.748 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.479 4.033 -4.746 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.441 2.735 -5.382 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -2.161 1.208 -2.301 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -3.356 2.355 -1.651 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -3.767 1.344 -3.057 1.00 0.82 H new ATOM 1234 N PRO B 19 -3.857 5.487 -7.098 1.00 0.21 N ATOM 1235 CA PRO B 19 -4.885 5.925 -8.036 1.00 0.23 C ATOM 1236 C PRO B 19 -6.274 5.452 -7.643 1.00 0.21 C ATOM 1237 O PRO B 19 -6.450 4.357 -7.095 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.457 5.270 -9.338 1.00 0.28 C ATOM 1239 CG PRO B 19 -2.981 5.218 -9.239 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.693 4.914 -7.796 1.00 0.27 C ATOM 0 HA PRO B 19 -4.960 7.011 -8.082 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -4.886 4.274 -9.444 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -4.780 5.850 -10.203 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.569 4.449 -9.893 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.533 6.165 -9.539 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.604 3.842 -7.619 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -1.760 5.370 -7.466 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.264 6.269 -7.944 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.639 5.949 -7.614 1.00 0.23 C ATOM 1250 C LYS B 20 -9.104 4.669 -8.293 1.00 0.21 C ATOM 1251 O LYS B 20 -10.117 4.118 -7.909 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.596 7.092 -7.963 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.448 7.634 -9.377 1.00 0.39 C ATOM 1254 CD LYS B 20 -8.288 8.610 -9.468 1.00 0.53 C ATOM 1255 CE LYS B 20 -8.533 9.859 -8.627 1.00 0.90 C ATOM 1256 NZ LYS B 20 -9.794 10.553 -8.996 1.00 1.77 N ATOM 0 H LYS B 20 -7.141 7.163 -8.419 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.660 5.798 -6.535 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.620 6.745 -7.827 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -9.439 7.908 -7.257 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.289 6.809 -10.072 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.370 8.131 -9.678 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -7.373 8.120 -9.134 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -8.134 8.896 -10.508 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -8.569 9.583 -7.573 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -7.695 10.545 -8.748 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -9.795 11.511 -8.590 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -9.866 10.615 -10.032 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -10.606 10.019 -8.624 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.367 4.200 -9.297 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.730 2.979 -10.019 1.00 0.20 C ATOM 1272 C GLU B 21 -8.656 1.732 -9.125 1.00 0.20 C ATOM 1273 O GLU B 21 -9.327 0.727 -9.389 1.00 0.20 O ATOM 1274 CB GLU B 21 -7.842 2.806 -11.248 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.363 2.763 -10.924 1.00 0.47 C ATOM 1276 CD GLU B 21 -5.503 2.748 -12.163 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -5.234 3.835 -12.713 1.00 1.92 O ATOM 1278 OE2 GLU B 21 -5.099 1.650 -12.596 1.00 1.53 O ATOM 0 H GLU B 21 -7.513 4.647 -9.631 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.767 3.087 -10.338 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -8.120 1.885 -11.761 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -8.030 3.626 -11.941 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -6.102 3.628 -10.314 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -6.150 1.876 -10.327 1.00 0.47 H new ATOM 1285 N ILE B 22 -7.902 1.813 -8.034 1.00 0.22 N ATOM 1286 CA ILE B 22 -7.779 0.681 -7.131 1.00 0.25 C ATOM 1287 C ILE B 22 -8.923 0.741 -6.134 1.00 0.24 C ATOM 1288 O ILE B 22 -9.642 -0.233 -5.941 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.423 0.661 -6.388 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.273 0.521 -7.388 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.383 -0.472 -5.370 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.761 1.837 -7.933 1.00 0.25 C ATOM 0 H ILE B 22 -7.374 2.641 -7.758 1.00 0.22 H new ATOM 0 HA ILE B 22 -7.823 -0.236 -7.718 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.309 1.604 -5.854 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.449 -0.005 -6.906 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.604 -0.100 -8.220 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.420 -0.468 -4.859 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.182 -0.335 -4.641 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.518 -1.425 -5.881 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -3.948 1.649 -8.634 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.569 2.357 -8.447 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.397 2.454 -7.112 1.00 0.25 H new ATOM 1304 N ARG B 23 -9.111 1.924 -5.549 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.284 2.215 -4.725 1.00 0.23 C ATOM 1306 C ARG B 23 -11.552 1.952 -5.541 1.00 0.22 C ATOM 1307 O ARG B 23 -12.603 1.599 -5.007 1.00 0.23 O ATOM 1308 CB ARG B 23 -10.201 3.677 -4.221 1.00 0.26 C ATOM 1309 CG ARG B 23 -11.528 4.430 -4.133 1.00 0.50 C ATOM 1310 CD ARG B 23 -11.986 4.912 -5.501 1.00 0.35 C ATOM 1311 NE ARG B 23 -13.281 5.588 -5.476 1.00 0.85 N ATOM 1312 CZ ARG B 23 -13.498 6.831 -5.910 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -12.480 7.625 -6.214 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -14.739 7.293 -5.995 1.00 1.40 N ATOM 0 H ARG B 23 -8.458 2.704 -5.632 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.315 1.565 -3.851 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -9.741 3.674 -3.233 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.534 4.231 -4.882 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -12.289 3.780 -3.702 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -11.420 5.283 -3.463 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -11.238 5.592 -5.907 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.043 4.059 -6.178 1.00 0.35 H new ATOM 0 HE ARG B 23 -14.077 5.073 -5.100 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -11.523 7.287 -6.117 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -12.654 8.574 -6.545 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -15.524 6.698 -5.729 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -14.908 8.243 -6.326 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.424 2.150 -6.846 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.489 1.882 -7.793 1.00 0.25 C ATOM 1330 C ARG B 24 -12.848 0.405 -7.800 1.00 0.26 C ATOM 1331 O ARG B 24 -14.016 0.059 -7.644 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.080 2.353 -9.194 1.00 0.29 C ATOM 1333 CG ARG B 24 -12.851 1.708 -10.330 1.00 0.42 C ATOM 1334 CD ARG B 24 -12.397 2.258 -11.674 1.00 0.55 C ATOM 1335 NE ARG B 24 -12.767 1.381 -12.785 1.00 1.47 N ATOM 1336 CZ ARG B 24 -12.378 1.565 -14.047 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -11.699 2.656 -14.391 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -12.686 0.666 -14.973 1.00 3.19 N ATOM 0 H ARG B 24 -10.570 2.504 -7.277 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.375 2.438 -7.486 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.211 3.434 -9.252 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.018 2.153 -9.334 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -12.706 0.628 -10.307 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -13.918 1.889 -10.200 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -12.838 3.243 -11.829 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -11.315 2.391 -11.663 1.00 0.55 H new ATOM 0 HE ARG B 24 -13.361 0.577 -12.581 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -11.473 3.359 -13.687 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -11.405 2.790 -15.358 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -13.220 -0.165 -14.719 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -12.389 0.806 -15.939 1.00 3.19 H new ATOM 1352 N THR B 25 -11.863 -0.481 -7.970 1.00 0.26 N ATOM 1353 CA THR B 25 -12.114 -1.911 -7.850 1.00 0.29 C ATOM 1354 C THR B 25 -12.537 -2.271 -6.424 1.00 0.28 C ATOM 1355 O THR B 25 -13.270 -3.234 -6.201 1.00 0.33 O ATOM 1356 CB THR B 25 -10.854 -2.711 -8.234 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.423 -2.332 -9.549 1.00 0.35 O ATOM 1358 CG2 THR B 25 -11.117 -4.209 -8.198 1.00 0.40 C ATOM 0 H THR B 25 -10.898 -0.233 -8.188 1.00 0.26 H new ATOM 0 HA THR B 25 -12.924 -2.169 -8.532 1.00 0.29 H new ATOM 0 HB THR B 25 -10.074 -2.483 -7.507 1.00 0.32 H new ATOM 0 HG1 THR B 25 -10.030 -1.435 -9.518 1.00 0.35 H new ATOM 0 HG21 THR B 25 -10.209 -4.745 -8.474 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.419 -4.501 -7.192 1.00 0.40 H new ATOM 0 HG23 THR B 25 -11.912 -4.456 -8.902 1.00 0.40 H new ATOM 1366 N LEU B 26 -12.069 -1.483 -5.469 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.459 -1.635 -4.071 1.00 0.26 C ATOM 1368 C LEU B 26 -13.944 -1.315 -3.869 1.00 0.26 C ATOM 1369 O LEU B 26 -14.534 -1.711 -2.865 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.610 -0.711 -3.191 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.470 -1.388 -2.422 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -11.009 -2.533 -1.588 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.385 -1.880 -3.365 1.00 0.27 C ATOM 0 H LEU B 26 -11.411 -0.722 -5.637 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.291 -2.673 -3.785 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.185 0.070 -3.821 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.266 -0.220 -2.473 1.00 0.24 H new ATOM 0 HG LEU B 26 -10.023 -0.648 -1.758 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -10.190 -3.006 -1.047 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -11.742 -2.152 -0.877 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.484 -3.266 -2.240 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.591 -2.355 -2.789 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -9.809 -2.602 -4.063 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -8.975 -1.036 -3.920 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.535 -0.600 -4.837 1.00 0.27 N ATOM 1386 CA ARG B 27 -15.915 -0.112 -4.746 1.00 0.32 C ATOM 1387 C ARG B 27 -16.047 0.966 -3.673 1.00 0.31 C ATOM 1388 O ARG B 27 -17.149 1.318 -3.253 1.00 0.34 O ATOM 1389 CB ARG B 27 -16.892 -1.253 -4.460 1.00 0.37 C ATOM 1390 CG ARG B 27 -17.370 -2.010 -5.693 1.00 0.75 C ATOM 1391 CD ARG B 27 -16.292 -2.915 -6.271 1.00 1.00 C ATOM 1392 NE ARG B 27 -16.795 -3.715 -7.391 1.00 1.79 N ATOM 1393 CZ ARG B 27 -16.092 -4.664 -8.011 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -14.848 -4.934 -7.634 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -16.633 -5.348 -9.012 1.00 3.28 N ATOM 0 H ARG B 27 -14.067 -0.344 -5.706 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.167 0.324 -5.713 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.415 -1.959 -3.780 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -17.760 -0.847 -3.941 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -18.243 -2.609 -5.433 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -17.688 -1.297 -6.453 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -15.450 -2.309 -6.606 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -15.917 -3.577 -5.491 1.00 1.00 H new ATOM 0 HE ARG B 27 -17.744 -3.534 -7.718 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -14.424 -4.414 -6.866 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -14.316 -5.661 -8.113 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -17.588 -5.148 -9.309 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -16.093 -6.073 -9.485 1.00 3.28 H new ATOM 1409 N ILE B 28 -14.915 1.510 -3.261 1.00 0.29 N ATOM 1410 CA ILE B 28 -14.867 2.488 -2.182 1.00 0.30 C ATOM 1411 C ILE B 28 -14.538 3.866 -2.750 1.00 0.30 C ATOM 1412 O ILE B 28 -14.724 4.092 -3.940 1.00 0.33 O ATOM 1413 CB ILE B 28 -13.840 2.045 -1.117 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -13.982 0.534 -0.912 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -14.089 2.770 0.204 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -13.030 -0.058 0.090 1.00 0.37 C ATOM 0 H ILE B 28 -14.004 1.288 -3.662 1.00 0.29 H new ATOM 0 HA ILE B 28 -15.841 2.551 -1.696 1.00 0.30 H new ATOM 0 HB ILE B 28 -12.833 2.291 -1.455 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -15.002 0.319 -0.594 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -13.835 0.036 -1.870 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -13.355 2.444 0.942 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -13.998 3.845 0.052 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -15.092 2.538 0.563 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -13.205 -1.131 0.168 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -12.004 0.120 -0.233 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -13.190 0.407 1.063 1.00 0.37 H new ATOM 1428 N ARG B 29 -14.075 4.783 -1.909 1.00 0.28 N ATOM 1429 CA ARG B 29 -13.773 6.151 -2.330 1.00 0.30 C ATOM 1430 C ARG B 29 -12.786 6.808 -1.371 1.00 0.27 C ATOM 1431 O ARG B 29 -12.010 6.110 -0.717 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.072 6.962 -2.460 1.00 0.33 C ATOM 1433 CG ARG B 29 -16.061 6.740 -1.327 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.546 7.299 -0.018 1.00 0.59 C ATOM 1435 NE ARG B 29 -15.682 8.756 0.044 1.00 1.03 N ATOM 1436 CZ ARG B 29 -16.093 9.423 1.125 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -16.371 8.775 2.255 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -16.223 10.745 1.076 1.00 1.99 N ATOM 0 H ARG B 29 -13.898 4.604 -0.921 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.297 6.124 -3.310 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -14.822 8.022 -2.507 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -15.554 6.706 -3.404 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -17.011 7.212 -1.576 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.254 5.673 -1.216 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -16.093 6.848 0.810 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -14.498 7.026 0.106 1.00 0.59 H new ATOM 0 HE ARG B 29 -15.448 9.294 -0.790 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -16.270 7.761 2.299 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -16.684 9.293 3.076 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -16.009 11.247 0.214 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -16.537 11.257 1.900 1.00 1.99 H new ATOM 1452 N GLU B 30 -12.820 8.139 -1.284 1.00 0.30 N ATOM 1453 CA GLU B 30 -11.940 8.895 -0.384 1.00 0.31 C ATOM 1454 C GLU B 30 -12.317 8.701 1.082 1.00 0.30 C ATOM 1455 O GLU B 30 -12.288 9.637 1.885 1.00 0.36 O ATOM 1456 CB GLU B 30 -11.972 10.381 -0.721 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.145 10.735 -1.935 1.00 0.44 C ATOM 1458 CD GLU B 30 -11.857 10.451 -3.239 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -12.622 11.326 -3.701 1.00 1.18 O ATOM 1460 OE2 GLU B 30 -11.660 9.363 -3.807 1.00 1.08 O ATOM 0 H GLU B 30 -13.453 8.722 -1.831 1.00 0.30 H new ATOM 0 HA GLU B 30 -10.932 8.508 -0.531 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -13.004 10.686 -0.892 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -11.609 10.949 0.136 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -10.883 11.792 -1.893 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.211 10.174 -1.908 1.00 0.44 H new ATOM 1467 N GLY B 31 -12.661 7.469 1.414 1.00 0.26 N ATOM 1468 CA GLY B 31 -12.961 7.098 2.770 1.00 0.26 C ATOM 1469 C GLY B 31 -12.735 5.617 2.993 1.00 0.27 C ATOM 1470 O GLY B 31 -13.467 4.977 3.746 1.00 0.35 O ATOM 0 H GLY B 31 -12.738 6.703 0.745 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.335 7.671 3.454 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -13.997 7.349 2.998 1.00 0.26 H new ATOM 1474 N ASP B 32 -11.736 5.069 2.310 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.363 3.668 2.488 1.00 0.29 C ATOM 1476 C ASP B 32 -10.262 3.533 3.526 1.00 0.26 C ATOM 1477 O ASP B 32 -9.214 4.169 3.427 1.00 0.29 O ATOM 1478 CB ASP B 32 -10.905 3.043 1.174 1.00 0.35 C ATOM 1479 CG ASP B 32 -10.406 1.619 1.353 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -11.074 0.838 2.070 1.00 1.07 O ATOM 1481 OD2 ASP B 32 -9.358 1.284 0.779 1.00 1.29 O ATOM 0 H ASP B 32 -11.169 5.572 1.628 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.250 3.137 2.834 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -11.732 3.049 0.464 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -10.111 3.652 0.743 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.511 2.719 4.548 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.578 2.468 5.633 1.00 0.24 C ATOM 1488 C PRO B 33 -8.609 1.344 5.352 1.00 0.41 C ATOM 1489 O PRO B 33 -8.759 0.267 5.874 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.458 2.009 6.787 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.849 1.875 6.236 1.00 0.12 C ATOM 1492 CD PRO B 33 -11.745 1.979 4.735 1.00 0.20 C ATOM 0 HA PRO B 33 -8.984 3.364 5.812 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -10.107 1.058 7.188 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.432 2.729 7.605 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.288 0.920 6.526 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.497 2.657 6.632 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -11.703 0.997 4.264 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.599 2.502 4.306 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.625 1.558 4.551 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.710 0.474 4.298 1.00 0.19 C ATOM 1502 C LEU B 34 -5.847 0.201 5.519 1.00 0.19 C ATOM 1503 O LEU B 34 -5.492 1.093 6.259 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.808 0.719 3.082 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.470 1.328 1.846 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -6.524 2.844 1.954 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -5.734 0.911 0.583 1.00 0.44 C ATOM 0 H LEU B 34 -7.427 2.435 4.070 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.329 -0.396 4.077 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -4.994 1.375 3.389 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.360 -0.232 2.794 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.492 0.952 1.790 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -6.999 3.256 1.063 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -7.100 3.126 2.836 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -5.512 3.239 2.041 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -6.221 1.355 -0.285 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -4.701 1.254 0.634 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -5.752 -0.175 0.493 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.488 -1.046 5.658 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.671 -1.493 6.759 1.00 0.17 C ATOM 1521 C GLU B 35 -3.289 -1.705 6.239 1.00 0.13 C ATOM 1522 O GLU B 35 -3.086 -2.604 5.439 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.200 -2.783 7.372 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.372 -3.285 8.544 1.00 0.21 C ATOM 1525 CD GLU B 35 -4.876 -4.606 9.078 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -6.095 -4.733 9.322 1.00 1.10 O ATOM 1527 OE2 GLU B 35 -4.070 -5.546 9.201 1.00 1.09 O ATOM 0 H GLU B 35 -5.754 -1.786 5.009 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.685 -0.739 7.546 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.226 -2.623 7.705 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.231 -3.555 6.603 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.333 -3.394 8.232 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.389 -2.543 9.342 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.362 -0.859 6.652 1.00 0.12 N ATOM 1535 CA ILE B 36 -0.993 -0.936 6.198 1.00 0.11 C ATOM 1536 C ILE B 36 -0.233 -1.913 7.069 1.00 0.11 C ATOM 1537 O ILE B 36 0.011 -1.653 8.248 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.301 0.458 6.262 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.848 1.411 5.194 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.208 0.335 6.123 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.273 1.862 5.417 1.00 0.62 C ATOM 0 H ILE B 36 -2.541 -0.101 7.311 1.00 0.12 H new ATOM 0 HA ILE B 36 -0.991 -1.273 5.161 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.527 0.876 7.243 1.00 0.13 H new ATOM 0 HG12 ILE B 36 -0.206 2.291 5.149 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -0.785 0.920 4.223 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.660 1.326 6.172 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.599 -0.282 6.932 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.449 -0.127 5.165 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.573 2.533 4.612 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.932 0.994 5.430 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.344 2.385 6.371 1.00 0.62 H new ATOM 1553 N PHE B 37 0.102 -3.049 6.498 1.00 0.10 N ATOM 1554 CA PHE B 37 0.911 -4.025 7.192 1.00 0.11 C ATOM 1555 C PHE B 37 1.746 -4.796 6.193 1.00 0.10 C ATOM 1556 O PHE B 37 1.229 -5.374 5.248 1.00 0.10 O ATOM 1557 CB PHE B 37 0.046 -4.950 8.066 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.644 -6.081 7.353 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.885 -5.894 6.767 1.00 1.09 C ATOM 1560 CD2 PHE B 37 -0.058 -7.339 7.286 1.00 1.16 C ATOM 1561 CE1 PHE B 37 -2.526 -6.936 6.126 1.00 1.14 C ATOM 1562 CE2 PHE B 37 -0.697 -8.383 6.649 1.00 1.20 C ATOM 1563 CZ PHE B 37 -1.933 -8.182 6.067 1.00 0.49 C ATOM 0 H PHE B 37 -0.174 -3.319 5.554 1.00 0.10 H new ATOM 0 HA PHE B 37 1.588 -3.508 7.872 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.677 -5.372 8.848 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.712 -4.343 8.561 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.356 -4.923 6.812 1.00 1.09 H new ATOM 0 HD2 PHE B 37 0.909 -7.502 7.738 1.00 1.16 H new ATOM 0 HE1 PHE B 37 -3.492 -6.776 5.670 1.00 1.14 H new ATOM 0 HE2 PHE B 37 -0.231 -9.356 6.606 1.00 1.20 H new ATOM 0 HZ PHE B 37 -2.435 -8.997 5.567 1.00 0.49 H new ATOM 1573 N VAL B 38 3.046 -4.772 6.390 1.00 0.10 N ATOM 1574 CA VAL B 38 3.948 -5.446 5.478 1.00 0.10 C ATOM 1575 C VAL B 38 3.985 -6.929 5.779 1.00 0.13 C ATOM 1576 O VAL B 38 4.034 -7.348 6.935 1.00 0.20 O ATOM 1577 CB VAL B 38 5.377 -4.838 5.510 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.809 -4.538 6.938 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.389 -5.760 4.831 1.00 0.17 C ATOM 0 H VAL B 38 3.502 -4.296 7.169 1.00 0.10 H new ATOM 0 HA VAL B 38 3.565 -5.299 4.468 1.00 0.10 H new ATOM 0 HB VAL B 38 5.346 -3.901 4.954 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.813 -4.113 6.933 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.116 -3.826 7.386 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.808 -5.460 7.520 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.379 -5.306 4.870 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.410 -6.720 5.347 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.101 -5.913 3.791 1.00 0.17 H new ATOM 1589 N ASP B 39 3.934 -7.700 4.709 1.00 0.14 N ATOM 1590 CA ASP B 39 3.830 -9.142 4.791 1.00 0.19 C ATOM 1591 C ASP B 39 5.113 -9.757 5.323 1.00 0.42 C ATOM 1592 O ASP B 39 5.095 -10.500 6.302 1.00 1.05 O ATOM 1593 CB ASP B 39 3.521 -9.717 3.409 1.00 0.26 C ATOM 1594 CG ASP B 39 3.089 -11.170 3.480 1.00 0.32 C ATOM 1595 OD1 ASP B 39 3.962 -12.060 3.553 1.00 1.14 O ATOM 1596 OD2 ASP B 39 1.869 -11.427 3.487 1.00 1.13 O ATOM 0 H ASP B 39 3.964 -7.341 3.755 1.00 0.14 H new ATOM 0 HA ASP B 39 3.022 -9.385 5.481 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.734 -9.128 2.939 1.00 0.26 H new ATOM 0 HB3 ASP B 39 4.404 -9.632 2.776 1.00 0.26 H new ATOM 1601 N ARG B 40 6.233 -9.435 4.688 1.00 0.46 N ATOM 1602 CA ARG B 40 7.494 -10.067 5.043 1.00 0.54 C ATOM 1603 C ARG B 40 8.667 -9.092 5.056 1.00 0.52 C ATOM 1604 O ARG B 40 9.182 -8.756 6.123 1.00 0.59 O ATOM 1605 CB ARG B 40 7.782 -11.236 4.105 1.00 0.65 C ATOM 1606 CG ARG B 40 7.393 -10.978 2.664 1.00 0.75 C ATOM 1607 CD ARG B 40 6.637 -12.163 2.099 1.00 0.77 C ATOM 1608 NE ARG B 40 6.441 -12.060 0.658 1.00 1.29 N ATOM 1609 CZ ARG B 40 7.104 -12.797 -0.227 1.00 2.04 C ATOM 1610 NH1 ARG B 40 7.967 -13.716 0.188 1.00 2.59 N ATOM 1611 NH2 ARG B 40 6.885 -12.632 -1.522 1.00 2.71 N ATOM 0 H ARG B 40 6.293 -8.750 3.935 1.00 0.46 H new ATOM 0 HA ARG B 40 7.385 -10.436 6.063 1.00 0.54 H new ATOM 0 HB2 ARG B 40 8.846 -11.469 4.147 1.00 0.65 H new ATOM 0 HB3 ARG B 40 7.248 -12.116 4.463 1.00 0.65 H new ATOM 0 HG2 ARG B 40 6.775 -10.082 2.603 1.00 0.75 H new ATOM 0 HG3 ARG B 40 8.286 -10.791 2.068 1.00 0.75 H new ATOM 0 HD2 ARG B 40 7.182 -13.080 2.324 1.00 0.77 H new ATOM 0 HD3 ARG B 40 5.667 -12.240 2.591 1.00 0.77 H new ATOM 0 HE ARG B 40 5.759 -11.386 0.311 1.00 1.29 H new ATOM 0 HH11 ARG B 40 8.121 -13.857 1.186 1.00 2.59 H new ATOM 0 HH12 ARG B 40 8.476 -14.282 -0.491 1.00 2.59 H new ATOM 0 HH21 ARG B 40 6.207 -11.939 -1.840 1.00 2.71 H new ATOM 0 HH22 ARG B 40 7.394 -13.198 -2.201 1.00 2.71 H new ATOM 1625 N ASP B 41 9.092 -8.642 3.883 1.00 0.53 N ATOM 1626 CA ASP B 41 10.294 -7.826 3.773 1.00 0.56 C ATOM 1627 C ASP B 41 9.972 -6.372 3.494 1.00 0.48 C ATOM 1628 O ASP B 41 10.191 -5.501 4.339 1.00 0.59 O ATOM 1629 CB ASP B 41 11.196 -8.365 2.667 1.00 0.59 C ATOM 1630 CG ASP B 41 12.386 -7.459 2.404 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.146 -7.166 3.353 1.00 1.18 O ATOM 1632 OD2 ASP B 41 12.576 -7.032 1.243 1.00 1.32 O ATOM 0 H ASP B 41 8.624 -8.828 2.996 1.00 0.53 H new ATOM 0 HA ASP B 41 10.808 -7.879 4.733 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.551 -9.358 2.942 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.617 -8.476 1.750 1.00 0.59 H new ATOM 1637 N GLY B 42 9.461 -6.119 2.307 1.00 0.34 N ATOM 1638 CA GLY B 42 9.204 -4.761 1.889 1.00 0.26 C ATOM 1639 C GLY B 42 7.922 -4.647 1.117 1.00 0.18 C ATOM 1640 O GLY B 42 7.664 -3.637 0.472 1.00 0.17 O ATOM 0 H GLY B 42 9.217 -6.832 1.620 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.159 -4.114 2.765 1.00 0.26 H new ATOM 0 HA3 GLY B 42 10.031 -4.408 1.273 1.00 0.26 H new ATOM 1644 N GLU B 43 7.130 -5.702 1.165 1.00 0.15 N ATOM 1645 CA GLU B 43 5.821 -5.689 0.558 1.00 0.12 C ATOM 1646 C GLU B 43 4.788 -5.279 1.588 1.00 0.09 C ATOM 1647 O GLU B 43 4.450 -6.055 2.480 1.00 0.09 O ATOM 1648 CB GLU B 43 5.457 -7.054 -0.037 1.00 0.16 C ATOM 1649 CG GLU B 43 6.192 -8.229 0.583 1.00 0.57 C ATOM 1650 CD GLU B 43 7.606 -8.388 0.070 1.00 1.17 C ATOM 1651 OE1 GLU B 43 7.786 -8.735 -1.117 1.00 1.65 O ATOM 1652 OE2 GLU B 43 8.543 -8.170 0.866 1.00 2.07 O ATOM 0 H GLU B 43 7.376 -6.580 1.621 1.00 0.15 H new ATOM 0 HA GLU B 43 5.835 -4.968 -0.259 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.385 -7.212 0.078 1.00 0.16 H new ATOM 0 HB3 GLU B 43 5.664 -7.036 -1.107 1.00 0.16 H new ATOM 0 HG2 GLU B 43 6.218 -8.102 1.665 1.00 0.57 H new ATOM 0 HG3 GLU B 43 5.635 -9.144 0.382 1.00 0.57 H new ATOM 1659 N VAL B 44 4.316 -4.052 1.484 1.00 0.08 N ATOM 1660 CA VAL B 44 3.312 -3.547 2.402 1.00 0.07 C ATOM 1661 C VAL B 44 1.934 -3.895 1.891 1.00 0.07 C ATOM 1662 O VAL B 44 1.621 -3.668 0.737 1.00 0.08 O ATOM 1663 CB VAL B 44 3.382 -2.024 2.581 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.768 -1.628 3.912 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.813 -1.516 2.464 1.00 0.13 C ATOM 0 H VAL B 44 4.612 -3.385 0.772 1.00 0.08 H new ATOM 0 HA VAL B 44 3.510 -4.014 3.367 1.00 0.07 H new ATOM 0 HB VAL B 44 2.808 -1.558 1.780 1.00 0.09 H new ATOM 0 HG11 VAL B 44 2.822 -0.546 4.030 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.725 -1.944 3.940 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.315 -2.109 4.723 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.827 -0.434 2.596 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.429 -1.983 3.233 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.209 -1.767 1.480 1.00 0.13 H new ATOM 1675 N ILE B 45 1.114 -4.429 2.752 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.211 -4.851 2.370 1.00 0.08 C ATOM 1677 C ILE B 45 -1.214 -3.887 2.975 1.00 0.09 C ATOM 1678 O ILE B 45 -1.247 -3.728 4.187 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.507 -6.279 2.859 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.232 -7.319 1.999 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -2.007 -6.556 2.842 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.737 -7.200 1.979 1.00 0.09 C ATOM 0 H ILE B 45 1.340 -4.585 3.734 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.283 -4.851 1.282 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.148 -6.361 3.885 1.00 0.10 H new ATOM 0 HG12 ILE B 45 -0.031 -8.314 2.359 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.134 -7.243 0.975 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.193 -7.571 3.192 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.515 -5.848 3.496 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.386 -6.447 1.826 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.155 -7.981 1.344 1.00 0.09 H new ATOM 0 HD12 ILE B 45 2.020 -6.223 1.587 1.00 0.09 H new ATOM 0 HD13 ILE B 45 2.124 -7.310 2.992 1.00 0.09 H new ATOM 1694 N LEU B 46 -1.968 -3.213 2.130 1.00 0.09 N ATOM 1695 CA LEU B 46 -2.994 -2.268 2.567 1.00 0.10 C ATOM 1696 C LEU B 46 -4.371 -2.830 2.276 1.00 0.11 C ATOM 1697 O LEU B 46 -4.712 -3.037 1.122 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.830 -0.955 1.806 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.420 -0.708 1.306 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.433 0.360 0.232 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.508 -0.310 2.451 1.00 0.13 C ATOM 0 H LEU B 46 -1.892 -3.301 1.117 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.887 -2.098 3.638 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.513 -0.951 0.956 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.125 -0.131 2.455 1.00 0.11 H new ATOM 0 HG LEU B 46 -1.033 -1.631 0.875 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.417 0.532 -0.122 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.057 0.032 -0.600 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.835 1.286 0.644 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.499 -0.137 2.071 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -0.883 0.603 2.914 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.484 -1.109 3.192 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.166 -3.070 3.300 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.488 -3.646 3.068 1.00 0.16 C ATOM 1715 C LYS B 47 -7.608 -2.874 3.778 1.00 0.14 C ATOM 1716 O LYS B 47 -7.445 -2.439 4.901 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.457 -5.141 3.414 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.570 -5.637 4.315 1.00 0.24 C ATOM 1719 CD LYS B 47 -7.232 -5.438 5.782 1.00 0.40 C ATOM 1720 CE LYS B 47 -5.872 -6.032 6.125 1.00 0.52 C ATOM 1721 NZ LYS B 47 -5.890 -6.747 7.432 1.00 0.95 N ATOM 0 H LYS B 47 -4.935 -2.884 4.276 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.732 -3.550 2.010 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -6.488 -5.710 2.485 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.503 -5.363 3.892 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.493 -5.108 4.079 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.751 -6.695 4.123 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -7.235 -4.374 6.016 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -8.000 -5.903 6.400 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -5.569 -6.722 5.338 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -5.127 -5.237 6.156 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -4.914 -6.898 7.758 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -6.405 -6.176 8.133 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -6.364 -7.666 7.319 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.748 -2.778 3.089 1.00 0.17 N ATOM 1736 CA LYS B 48 -9.907 -1.895 3.409 1.00 0.17 C ATOM 1737 C LYS B 48 -10.362 -1.795 4.885 1.00 0.13 C ATOM 1738 O LYS B 48 -11.237 -0.988 5.189 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.083 -2.374 2.588 1.00 0.22 C ATOM 1740 CG LYS B 48 -11.177 -3.889 2.566 1.00 0.24 C ATOM 1741 CD LYS B 48 -11.542 -4.418 1.197 1.00 0.35 C ATOM 1742 CE LYS B 48 -13.009 -4.210 0.883 1.00 0.43 C ATOM 1743 NZ LYS B 48 -13.433 -4.975 -0.320 1.00 0.64 N ATOM 0 H LYS B 48 -8.910 -3.335 2.250 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.556 -0.890 3.175 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -12.004 -1.959 2.996 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -10.990 -2.001 1.568 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -10.223 -4.315 2.876 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -11.923 -4.216 3.291 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -10.935 -3.919 0.442 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -11.307 -5.481 1.144 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -13.610 -4.517 1.739 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -13.199 -3.149 0.724 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -14.347 -5.435 -0.135 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -13.529 -4.327 -1.128 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -12.720 -5.699 -0.540 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.829 -2.630 5.759 1.00 0.13 N ATOM 1758 CA TYR B 49 -10.069 -2.581 7.216 1.00 0.15 C ATOM 1759 C TYR B 49 -11.496 -2.950 7.626 1.00 0.18 C ATOM 1760 O TYR B 49 -11.690 -3.768 8.518 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.774 -1.232 7.854 1.00 0.19 C ATOM 1762 CG TYR B 49 -9.759 -1.322 9.367 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.259 -2.462 9.991 1.00 1.18 C ATOM 1764 CD2 TYR B 49 -10.240 -0.295 10.169 1.00 1.14 C ATOM 1765 CE1 TYR B 49 -9.235 -2.573 11.362 1.00 1.26 C ATOM 1766 CE2 TYR B 49 -10.216 -0.401 11.549 1.00 1.19 C ATOM 1767 CZ TYR B 49 -9.712 -1.544 12.138 1.00 0.62 C ATOM 1768 OH TYR B 49 -9.680 -1.658 13.507 1.00 0.79 O ATOM 0 H TYR B 49 -9.200 -3.384 5.483 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.365 -3.329 7.581 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.810 -0.865 7.501 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.525 -0.508 7.539 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -8.883 -3.275 9.387 1.00 1.18 H new ATOM 0 HD2 TYR B 49 -10.638 0.598 9.710 1.00 1.14 H new ATOM 0 HE1 TYR B 49 -8.843 -3.466 11.827 1.00 1.26 H new ATOM 0 HE2 TYR B 49 -10.589 0.406 12.162 1.00 1.19 H new ATOM 0 HH TYR B 49 -10.052 -0.847 13.912 1.00 0.79 H new ATOM 1778 N SER B 50 -12.482 -2.288 7.021 1.00 0.20 N ATOM 1779 CA SER B 50 -13.883 -2.439 7.412 1.00 0.28 C ATOM 1780 C SER B 50 -14.288 -3.919 7.456 1.00 0.29 C ATOM 1781 O SER B 50 -14.726 -4.406 8.500 1.00 0.35 O ATOM 1782 CB SER B 50 -14.794 -1.631 6.471 1.00 0.39 C ATOM 1783 OG SER B 50 -16.149 -1.681 6.889 1.00 1.22 O ATOM 0 H SER B 50 -12.334 -1.636 6.251 1.00 0.20 H new ATOM 0 HA SER B 50 -14.004 -2.041 8.419 1.00 0.28 H new ATOM 0 HB2 SER B 50 -14.460 -0.594 6.441 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.710 -2.022 5.457 1.00 0.39 H new ATOM 0 HG SER B 50 -16.701 -1.157 6.272 1.00 1.22 H new ATOM 1789 N PRO B 51 -14.139 -4.672 6.345 1.00 0.34 N ATOM 1790 CA PRO B 51 -14.301 -6.125 6.366 1.00 0.43 C ATOM 1791 C PRO B 51 -13.015 -6.813 6.779 1.00 0.45 C ATOM 1792 O PRO B 51 -12.891 -8.032 6.709 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.599 -6.454 4.918 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.809 -5.448 4.156 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.846 -4.187 4.977 1.00 0.41 C ATOM 0 HA PRO B 51 -15.068 -6.450 7.069 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -14.298 -7.471 4.669 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.664 -6.374 4.701 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -12.784 -5.787 4.007 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.237 -5.283 3.167 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.897 -3.653 4.935 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.614 -3.500 4.622 1.00 0.41 H new ATOM 1803 N ILE B 52 -12.066 -6.000 7.219 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.716 -6.445 7.498 1.00 0.45 C ATOM 1805 C ILE B 52 -10.198 -7.206 6.295 1.00 0.57 C ATOM 1806 O ILE B 52 -10.417 -6.795 5.155 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.659 -7.326 8.764 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -11.797 -6.950 9.710 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -9.313 -7.155 9.461 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -11.814 -7.743 10.997 1.00 0.70 C ATOM 0 H ILE B 52 -12.216 -5.006 7.393 1.00 0.37 H new ATOM 0 HA ILE B 52 -10.088 -5.575 7.687 1.00 0.45 H new ATOM 0 HB ILE B 52 -10.772 -8.371 8.476 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.721 -5.889 9.950 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.747 -7.093 9.194 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -9.283 -7.781 10.353 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -8.512 -7.451 8.783 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -9.181 -6.111 9.746 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.651 -7.417 11.614 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -11.922 -8.803 10.770 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -10.881 -7.581 11.536 1.00 0.70 H new ATOM 1822 N SER B 53 -9.510 -8.293 6.535 1.00 0.78 N ATOM 1823 CA SER B 53 -9.115 -9.164 5.472 1.00 0.95 C ATOM 1824 C SER B 53 -9.956 -10.440 5.532 1.00 1.16 C ATOM 1825 O SER B 53 -9.953 -11.136 6.554 1.00 1.86 O ATOM 1826 CB SER B 53 -7.624 -9.462 5.587 1.00 1.08 C ATOM 1827 OG SER B 53 -7.170 -9.247 6.920 1.00 1.48 O ATOM 0 H SER B 53 -9.213 -8.592 7.464 1.00 0.78 H new ATOM 0 HA SER B 53 -9.286 -8.690 4.505 1.00 0.95 H new ATOM 0 HB2 SER B 53 -7.430 -10.494 5.293 1.00 1.08 H new ATOM 0 HB3 SER B 53 -7.067 -8.825 4.900 1.00 1.08 H new ATOM 0 HG SER B 53 -7.668 -9.828 7.533 1.00 1.48 H new ATOM 1833 N GLU B 54 -10.693 -10.712 4.455 1.00 1.07 N ATOM 1834 CA GLU B 54 -11.620 -11.852 4.363 1.00 1.27 C ATOM 1835 C GLU B 54 -12.884 -11.630 5.194 1.00 1.46 C ATOM 1836 O GLU B 54 -13.988 -11.589 4.647 1.00 2.29 O ATOM 1837 CB GLU B 54 -10.944 -13.153 4.798 1.00 1.47 C ATOM 1838 CG GLU B 54 -10.258 -13.920 3.678 1.00 1.75 C ATOM 1839 CD GLU B 54 -9.080 -13.182 3.086 1.00 2.00 C ATOM 1840 OE1 GLU B 54 -7.995 -13.188 3.709 1.00 2.41 O ATOM 1841 OE2 GLU B 54 -9.230 -12.608 1.987 1.00 2.62 O ATOM 0 H GLU B 54 -10.666 -10.143 3.609 1.00 1.07 H new ATOM 0 HA GLU B 54 -11.908 -11.933 3.315 1.00 1.27 H new ATOM 0 HB2 GLU B 54 -10.206 -12.923 5.567 1.00 1.47 H new ATOM 0 HB3 GLU B 54 -11.692 -13.799 5.257 1.00 1.47 H new ATOM 0 HG2 GLU B 54 -9.920 -14.883 4.060 1.00 1.75 H new ATOM 0 HG3 GLU B 54 -10.983 -14.126 2.890 1.00 1.75 H new ATOM 1848 N LEU B 55 -12.699 -11.479 6.506 1.00 1.27 N ATOM 1849 CA LEU B 55 -13.799 -11.419 7.471 1.00 1.44 C ATOM 1850 C LEU B 55 -14.532 -12.759 7.485 1.00 2.03 C ATOM 1851 O LEU B 55 -15.567 -12.888 6.797 1.00 2.28 O ATOM 1852 CB LEU B 55 -14.769 -10.265 7.151 1.00 1.59 C ATOM 1853 CG LEU B 55 -15.593 -9.716 8.331 1.00 1.50 C ATOM 1854 CD1 LEU B 55 -16.605 -10.735 8.835 1.00 2.31 C ATOM 1855 CD2 LEU B 55 -14.677 -9.278 9.463 1.00 0.94 C ATOM 1856 OXT LEU B 55 -14.057 -13.688 8.169 1.00 2.64 O ATOM 0 H LEU B 55 -11.776 -11.394 6.932 1.00 1.27 H new ATOM 0 HA LEU B 55 -13.386 -11.223 8.460 1.00 1.44 H new ATOM 0 HB2 LEU B 55 -14.194 -9.443 6.725 1.00 1.59 H new ATOM 0 HB3 LEU B 55 -15.461 -10.604 6.380 1.00 1.59 H new ATOM 0 HG LEU B 55 -16.147 -8.850 7.968 1.00 1.50 H new ATOM 0 HD11 LEU B 55 -17.166 -10.310 9.667 1.00 2.31 H new ATOM 0 HD12 LEU B 55 -17.292 -10.995 8.029 1.00 2.31 H new ATOM 0 HD13 LEU B 55 -16.083 -11.631 9.170 1.00 2.31 H new ATOM 0 HD21 LEU B 55 -15.277 -8.893 10.288 1.00 0.94 H new ATOM 0 HD22 LEU B 55 -14.091 -10.130 9.807 1.00 0.94 H new ATOM 0 HD23 LEU B 55 -14.006 -8.496 9.106 1.00 0.94 H new TER 1868 LEU B 55