USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 120 SER OG : rot -26:sc= 0.948 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 127:sc= 1.41 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 170:sc= -2.09! (180deg=-2.28) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.687 F(o=-3!,f=-0.69) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 24 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.17) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -140:sc= -0.319 USER MOD Single : A 70 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.59) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 171:sc= 0.275 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 105:sc= -0.189 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.339) USER MOD Single : A 100 THR OG1 : rot -130:sc= 0.294 USER MOD Single : A 105 LYS NZ :NH3+ -151:sc= -0.114 (180deg=-0.812) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.268 -1.009 -0.882 1.00 60.24 N ATOM 2 CA MET A 1 2.205 0.084 -1.114 1.00 25.32 C ATOM 3 C MET A 1 3.645 -0.388 -0.935 1.00 61.05 C ATOM 4 O MET A 1 4.131 -0.516 0.189 1.00 60.23 O ATOM 5 CB MET A 1 1.915 1.244 -0.160 1.00 52.01 C ATOM 6 CG MET A 1 2.821 2.446 -0.372 1.00 13.23 C ATOM 7 SD MET A 1 2.274 3.898 0.546 1.00 14.35 S ATOM 8 CE MET A 1 3.693 4.187 1.601 1.00 75.42 C ATOM 0 H1 MET A 1 0.295 -0.665 -1.009 1.00 60.24 H new ATOM 0 H2 MET A 1 1.455 -1.776 -1.559 1.00 60.24 H new ATOM 0 H3 MET A 1 1.385 -1.366 0.088 1.00 60.24 H new ATOM 0 HA MET A 1 2.078 0.427 -2.141 1.00 25.32 H new ATOM 0 HB2 MET A 1 0.878 1.555 -0.284 1.00 52.01 H new ATOM 0 HB3 MET A 1 2.023 0.895 0.867 1.00 52.01 H new ATOM 0 HG2 MET A 1 3.836 2.189 -0.068 1.00 13.23 H new ATOM 0 HG3 MET A 1 2.858 2.685 -1.435 1.00 13.23 H new ATOM 0 HE1 MET A 1 3.507 5.057 2.231 1.00 75.42 H new ATOM 0 HE2 MET A 1 3.863 3.313 2.230 1.00 75.42 H new ATOM 0 HE3 MET A 1 4.574 4.368 0.985 1.00 75.42 H new ATOM 18 N ILE A 2 4.321 -0.645 -2.050 1.00 42.11 N ATOM 19 CA ILE A 2 5.705 -1.102 -2.016 1.00 10.55 C ATOM 20 C ILE A 2 6.612 -0.059 -1.371 1.00 11.13 C ATOM 21 O ILE A 2 6.930 0.963 -1.979 1.00 13.34 O ATOM 22 CB ILE A 2 6.229 -1.418 -3.429 1.00 10.41 C ATOM 23 CG1 ILE A 2 5.298 -2.408 -4.132 1.00 23.02 C ATOM 24 CG2 ILE A 2 7.644 -1.971 -3.357 1.00 62.54 C ATOM 25 CD1 ILE A 2 5.218 -3.754 -3.445 1.00 42.52 C ATOM 0 H ILE A 2 3.933 -0.545 -2.988 1.00 42.11 H new ATOM 0 HA ILE A 2 5.722 -2.014 -1.419 1.00 10.55 H new ATOM 0 HB ILE A 2 6.250 -0.495 -4.008 1.00 10.41 H new ATOM 0 HG12 ILE A 2 4.298 -1.977 -4.188 1.00 23.02 H new ATOM 0 HG13 ILE A 2 5.641 -2.552 -5.157 1.00 23.02 H new ATOM 0 HG21 ILE A 2 8.001 -2.190 -4.363 1.00 62.54 H new ATOM 0 HG22 ILE A 2 8.299 -1.235 -2.892 1.00 62.54 H new ATOM 0 HG23 ILE A 2 7.647 -2.886 -2.764 1.00 62.54 H new ATOM 0 HD11 ILE A 2 4.541 -4.405 -3.998 1.00 42.52 H new ATOM 0 HD12 ILE A 2 6.210 -4.206 -3.413 1.00 42.52 H new ATOM 0 HD13 ILE A 2 4.846 -3.622 -2.429 1.00 42.52 H new ATOM 37 N ARG A 3 7.027 -0.326 -0.137 1.00 12.34 N ATOM 38 CA ARG A 3 7.898 0.589 0.591 1.00 42.11 C ATOM 39 C ARG A 3 9.363 0.332 0.250 1.00 70.33 C ATOM 40 O ARG A 3 10.057 1.211 -0.261 1.00 3.52 O ATOM 41 CB ARG A 3 7.681 0.443 2.098 1.00 4.43 C ATOM 42 CG ARG A 3 7.951 1.720 2.879 1.00 64.54 C ATOM 43 CD ARG A 3 9.427 2.088 2.851 1.00 34.20 C ATOM 44 NE ARG A 3 9.718 3.244 3.694 1.00 52.42 N ATOM 45 CZ ARG A 3 9.730 3.202 5.021 1.00 14.04 C ATOM 46 NH1 ARG A 3 9.468 2.067 5.654 1.00 22.51 N ATOM 47 NH2 ARG A 3 10.004 4.297 5.719 1.00 73.00 N ATOM 0 H ARG A 3 6.774 -1.168 0.380 1.00 12.34 H new ATOM 0 HA ARG A 3 7.646 1.606 0.291 1.00 42.11 H new ATOM 0 HB2 ARG A 3 6.654 0.126 2.280 1.00 4.43 H new ATOM 0 HB3 ARG A 3 8.330 -0.348 2.475 1.00 4.43 H new ATOM 0 HG2 ARG A 3 7.363 2.536 2.459 1.00 64.54 H new ATOM 0 HG3 ARG A 3 7.626 1.592 3.912 1.00 64.54 H new ATOM 0 HD2 ARG A 3 10.019 1.237 3.186 1.00 34.20 H new ATOM 0 HD3 ARG A 3 9.728 2.302 1.825 1.00 34.20 H new ATOM 0 HE ARG A 3 9.923 4.133 3.238 1.00 52.42 H new ATOM 0 HH11 ARG A 3 9.257 1.223 5.121 1.00 22.51 H new ATOM 0 HH12 ARG A 3 9.478 2.038 6.674 1.00 22.51 H new ATOM 0 HH21 ARG A 3 10.206 5.172 5.236 1.00 73.00 H new ATOM 0 HH22 ARG A 3 10.013 4.263 6.738 1.00 73.00 H new ATOM 61 N THR A 4 9.828 -0.881 0.535 1.00 12.35 N ATOM 62 CA THR A 4 11.210 -1.254 0.261 1.00 54.21 C ATOM 63 C THR A 4 11.293 -2.655 -0.333 1.00 60.22 C ATOM 64 O THR A 4 10.312 -3.399 -0.333 1.00 55.21 O ATOM 65 CB THR A 4 12.071 -1.197 1.537 1.00 71.33 C ATOM 66 OG1 THR A 4 11.482 -2.006 2.561 1.00 2.14 O ATOM 67 CG2 THR A 4 12.212 0.234 2.031 1.00 12.35 C ATOM 0 H THR A 4 9.267 -1.622 0.956 1.00 12.35 H new ATOM 0 HA THR A 4 11.595 -0.533 -0.460 1.00 54.21 H new ATOM 0 HB THR A 4 13.063 -1.580 1.298 1.00 71.33 H new ATOM 0 HG1 THR A 4 12.150 -2.634 2.906 1.00 2.14 H new ATOM 0 HG21 THR A 4 12.824 0.249 2.933 1.00 12.35 H new ATOM 0 HG22 THR A 4 12.687 0.840 1.260 1.00 12.35 H new ATOM 0 HG23 THR A 4 11.226 0.640 2.255 1.00 12.35 H new ATOM 75 N ILE A 5 12.470 -3.010 -0.838 1.00 11.40 N ATOM 76 CA ILE A 5 12.681 -4.323 -1.433 1.00 73.34 C ATOM 77 C ILE A 5 14.042 -4.891 -1.045 1.00 35.14 C ATOM 78 O ILE A 5 15.018 -4.153 -0.906 1.00 31.02 O ATOM 79 CB ILE A 5 12.580 -4.268 -2.969 1.00 51.02 C ATOM 80 CG1 ILE A 5 11.237 -3.670 -3.393 1.00 33.03 C ATOM 81 CG2 ILE A 5 12.758 -5.658 -3.562 1.00 53.31 C ATOM 82 CD1 ILE A 5 11.170 -3.313 -4.861 1.00 44.21 C ATOM 0 H ILE A 5 13.292 -2.406 -0.847 1.00 11.40 H new ATOM 0 HA ILE A 5 11.895 -4.973 -1.048 1.00 73.34 H new ATOM 0 HB ILE A 5 13.377 -3.628 -3.348 1.00 51.02 H new ATOM 0 HG12 ILE A 5 10.443 -4.381 -3.164 1.00 33.03 H new ATOM 0 HG13 ILE A 5 11.044 -2.775 -2.801 1.00 33.03 H new ATOM 0 HG21 ILE A 5 12.684 -5.602 -4.648 1.00 53.31 H new ATOM 0 HG22 ILE A 5 13.737 -6.049 -3.285 1.00 53.31 H new ATOM 0 HG23 ILE A 5 11.981 -6.319 -3.179 1.00 53.31 H new ATOM 0 HD11 ILE A 5 10.190 -2.895 -5.089 1.00 44.21 H new ATOM 0 HD12 ILE A 5 11.941 -2.578 -5.092 1.00 44.21 H new ATOM 0 HD13 ILE A 5 11.331 -4.209 -5.461 1.00 44.21 H new ATOM 94 N LEU A 6 14.100 -6.207 -0.872 1.00 12.13 N ATOM 95 CA LEU A 6 15.342 -6.876 -0.501 1.00 1.43 C ATOM 96 C LEU A 6 15.660 -8.010 -1.469 1.00 61.23 C ATOM 97 O LEU A 6 14.788 -8.806 -1.817 1.00 11.34 O ATOM 98 CB LEU A 6 15.245 -7.420 0.926 1.00 42.53 C ATOM 99 CG LEU A 6 16.549 -7.444 1.725 1.00 54.22 C ATOM 100 CD1 LEU A 6 17.557 -8.376 1.072 1.00 25.13 C ATOM 101 CD2 LEU A 6 17.122 -6.040 1.853 1.00 50.03 C ATOM 0 H LEU A 6 13.301 -6.832 -0.983 1.00 12.13 H new ATOM 0 HA LEU A 6 16.148 -6.144 -0.550 1.00 1.43 H new ATOM 0 HB2 LEU A 6 14.518 -6.820 1.473 1.00 42.53 H new ATOM 0 HB3 LEU A 6 14.851 -8.435 0.880 1.00 42.53 H new ATOM 0 HG LEU A 6 16.333 -7.819 2.726 1.00 54.22 H new ATOM 0 HD11 LEU A 6 18.479 -8.380 1.654 1.00 25.13 H new ATOM 0 HD12 LEU A 6 17.147 -9.385 1.033 1.00 25.13 H new ATOM 0 HD13 LEU A 6 17.769 -8.031 0.060 1.00 25.13 H new ATOM 0 HD21 LEU A 6 18.050 -6.076 2.424 1.00 50.03 H new ATOM 0 HD22 LEU A 6 17.323 -5.637 0.860 1.00 50.03 H new ATOM 0 HD23 LEU A 6 16.405 -5.400 2.366 1.00 50.03 H new ATOM 113 N ALA A 7 16.915 -8.079 -1.900 1.00 25.21 N ATOM 114 CA ALA A 7 17.350 -9.119 -2.825 1.00 13.13 C ATOM 115 C ALA A 7 18.666 -9.741 -2.372 1.00 64.04 C ATOM 116 O ALA A 7 19.533 -9.055 -1.830 1.00 25.31 O ATOM 117 CB ALA A 7 17.487 -8.552 -4.230 1.00 0.52 C ATOM 0 H ALA A 7 17.649 -7.427 -1.623 1.00 25.21 H new ATOM 0 HA ALA A 7 16.593 -9.903 -2.834 1.00 13.13 H new ATOM 0 HB1 ALA A 7 17.812 -9.339 -4.910 1.00 0.52 H new ATOM 0 HB2 ALA A 7 16.524 -8.162 -4.560 1.00 0.52 H new ATOM 0 HB3 ALA A 7 18.223 -7.748 -4.228 1.00 0.52 H new ATOM 123 N ILE A 8 18.809 -11.043 -2.598 1.00 52.43 N ATOM 124 CA ILE A 8 20.020 -11.756 -2.214 1.00 23.11 C ATOM 125 C ILE A 8 20.416 -12.779 -3.274 1.00 13.33 C ATOM 126 O ILE A 8 19.597 -13.592 -3.702 1.00 60.21 O ATOM 127 CB ILE A 8 19.846 -12.475 -0.863 1.00 53.10 C ATOM 128 CG1 ILE A 8 19.263 -11.517 0.178 1.00 50.42 C ATOM 129 CG2 ILE A 8 21.176 -13.038 -0.387 1.00 5.55 C ATOM 130 CD1 ILE A 8 17.751 -11.522 0.225 1.00 60.04 C ATOM 0 H ILE A 8 18.101 -11.625 -3.045 1.00 52.43 H new ATOM 0 HA ILE A 8 20.809 -11.009 -2.120 1.00 23.11 H new ATOM 0 HB ILE A 8 19.150 -13.304 -0.996 1.00 53.10 H new ATOM 0 HG12 ILE A 8 19.650 -11.783 1.162 1.00 50.42 H new ATOM 0 HG13 ILE A 8 19.608 -10.506 -0.037 1.00 50.42 H new ATOM 0 HG21 ILE A 8 21.036 -13.543 0.569 1.00 5.55 H new ATOM 0 HG22 ILE A 8 21.554 -13.749 -1.121 1.00 5.55 H new ATOM 0 HG23 ILE A 8 21.893 -12.226 -0.267 1.00 5.55 H new ATOM 0 HD11 ILE A 8 17.408 -10.820 0.985 1.00 60.04 H new ATOM 0 HD12 ILE A 8 17.356 -11.226 -0.747 1.00 60.04 H new ATOM 0 HD13 ILE A 8 17.398 -12.524 0.471 1.00 60.04 H new ATOM 142 N ASP A 9 21.676 -12.732 -3.691 1.00 70.42 N ATOM 143 CA ASP A 9 22.182 -13.657 -4.699 1.00 51.12 C ATOM 144 C ASP A 9 23.707 -13.675 -4.703 1.00 23.43 C ATOM 145 O ASP A 9 24.349 -12.869 -4.029 1.00 64.23 O ATOM 146 CB ASP A 9 21.661 -13.270 -6.084 1.00 40.12 C ATOM 147 CG ASP A 9 21.663 -14.438 -7.051 1.00 4.22 C ATOM 148 OD1 ASP A 9 22.457 -14.409 -8.014 1.00 4.40 O ATOM 149 OD2 ASP A 9 20.871 -15.381 -6.845 1.00 13.25 O ATOM 0 H ASP A 9 22.366 -12.064 -3.347 1.00 70.42 H new ATOM 0 HA ASP A 9 21.825 -14.657 -4.451 1.00 51.12 H new ATOM 0 HB2 ASP A 9 20.647 -12.880 -5.992 1.00 40.12 H new ATOM 0 HB3 ASP A 9 22.276 -12.466 -6.489 1.00 40.12 H new ATOM 154 N ASP A 10 24.281 -14.601 -5.464 1.00 13.21 N ATOM 155 CA ASP A 10 25.731 -14.725 -5.555 1.00 51.32 C ATOM 156 C ASP A 10 26.282 -13.844 -6.672 1.00 63.44 C ATOM 157 O ASP A 10 27.188 -13.040 -6.453 1.00 22.41 O ATOM 158 CB ASP A 10 26.125 -16.183 -5.796 1.00 44.31 C ATOM 159 CG ASP A 10 25.301 -16.832 -6.890 1.00 20.40 C ATOM 160 OD1 ASP A 10 24.130 -17.176 -6.626 1.00 34.22 O ATOM 161 OD2 ASP A 10 25.827 -16.996 -8.011 1.00 32.35 O ATOM 0 H ASP A 10 23.764 -15.277 -6.027 1.00 13.21 H new ATOM 0 HA ASP A 10 26.160 -14.393 -4.610 1.00 51.32 H new ATOM 0 HB2 ASP A 10 27.181 -16.232 -6.063 1.00 44.31 H new ATOM 0 HB3 ASP A 10 26.004 -16.747 -4.871 1.00 44.31 H new ATOM 166 N SER A 11 25.730 -14.003 -7.871 1.00 62.00 N ATOM 167 CA SER A 11 26.170 -13.226 -9.024 1.00 60.21 C ATOM 168 C SER A 11 25.913 -11.738 -8.807 1.00 34.22 C ATOM 169 O SER A 11 24.777 -11.274 -8.899 1.00 52.43 O ATOM 170 CB SER A 11 25.452 -13.700 -10.289 1.00 72.20 C ATOM 171 OG SER A 11 26.030 -13.127 -11.449 1.00 20.11 O ATOM 0 H SER A 11 24.978 -14.663 -8.069 1.00 62.00 H new ATOM 0 HA SER A 11 27.243 -13.378 -9.145 1.00 60.21 H new ATOM 0 HB2 SER A 11 25.502 -14.787 -10.353 1.00 72.20 H new ATOM 0 HB3 SER A 11 24.397 -13.432 -10.234 1.00 72.20 H new ATOM 0 HG SER A 11 25.554 -13.447 -12.244 1.00 20.11 H new ATOM 177 N ALA A 12 26.976 -10.996 -8.517 1.00 65.22 N ATOM 178 CA ALA A 12 26.867 -9.561 -8.288 1.00 44.25 C ATOM 179 C ALA A 12 26.126 -8.877 -9.432 1.00 74.43 C ATOM 180 O ALA A 12 25.354 -7.943 -9.215 1.00 53.45 O ATOM 181 CB ALA A 12 28.249 -8.948 -8.112 1.00 52.01 C ATOM 0 H ALA A 12 27.923 -11.365 -8.435 1.00 65.22 H new ATOM 0 HA ALA A 12 26.293 -9.407 -7.374 1.00 44.25 H new ATOM 0 HB1 ALA A 12 28.152 -7.876 -7.942 1.00 52.01 H new ATOM 0 HB2 ALA A 12 28.745 -9.408 -7.257 1.00 52.01 H new ATOM 0 HB3 ALA A 12 28.841 -9.121 -9.011 1.00 52.01 H new ATOM 187 N THR A 13 26.365 -9.349 -10.652 1.00 73.11 N ATOM 188 CA THR A 13 25.721 -8.782 -11.830 1.00 71.34 C ATOM 189 C THR A 13 24.204 -8.907 -11.741 1.00 42.45 C ATOM 190 O THR A 13 23.472 -8.027 -12.195 1.00 65.34 O ATOM 191 CB THR A 13 26.206 -9.469 -13.121 1.00 21.42 C ATOM 192 OG1 THR A 13 27.621 -9.304 -13.261 1.00 65.14 O ATOM 193 CG2 THR A 13 25.500 -8.894 -14.339 1.00 13.41 C ATOM 0 H THR A 13 27.000 -10.122 -10.850 1.00 73.11 H new ATOM 0 HA THR A 13 25.995 -7.728 -11.863 1.00 71.34 H new ATOM 0 HB THR A 13 25.969 -10.531 -13.052 1.00 21.42 H new ATOM 0 HG1 THR A 13 27.922 -9.745 -14.083 1.00 65.14 H new ATOM 0 HG21 THR A 13 25.859 -9.395 -15.238 1.00 13.41 H new ATOM 0 HG22 THR A 13 24.425 -9.048 -14.243 1.00 13.41 H new ATOM 0 HG23 THR A 13 25.709 -7.827 -14.410 1.00 13.41 H new ATOM 201 N MET A 14 23.738 -10.004 -11.153 1.00 44.43 N ATOM 202 CA MET A 14 22.307 -10.241 -11.003 1.00 44.05 C ATOM 203 C MET A 14 21.683 -9.220 -10.058 1.00 11.20 C ATOM 204 O MET A 14 20.745 -8.512 -10.426 1.00 21.04 O ATOM 205 CB MET A 14 22.056 -11.657 -10.482 1.00 35.01 C ATOM 206 CG MET A 14 20.693 -12.212 -10.865 1.00 23.31 C ATOM 207 SD MET A 14 20.544 -12.527 -12.634 1.00 31.10 S ATOM 208 CE MET A 14 21.885 -13.688 -12.886 1.00 12.42 C ATOM 0 H MET A 14 24.330 -10.742 -10.773 1.00 44.43 H new ATOM 0 HA MET A 14 21.841 -10.134 -11.983 1.00 44.05 H new ATOM 0 HB2 MET A 14 22.831 -12.320 -10.867 1.00 35.01 H new ATOM 0 HB3 MET A 14 22.147 -11.657 -9.396 1.00 35.01 H new ATOM 0 HG2 MET A 14 20.516 -13.138 -10.319 1.00 23.31 H new ATOM 0 HG3 MET A 14 19.919 -11.508 -10.559 1.00 23.31 H new ATOM 0 HE1 MET A 14 21.815 -14.113 -13.887 1.00 12.42 H new ATOM 0 HE2 MET A 14 22.839 -13.172 -12.777 1.00 12.42 H new ATOM 0 HE3 MET A 14 21.818 -14.487 -12.147 1.00 12.42 H new ATOM 218 N ARG A 15 22.209 -9.149 -8.839 1.00 74.24 N ATOM 219 CA ARG A 15 21.701 -8.216 -7.841 1.00 42.53 C ATOM 220 C ARG A 15 21.846 -6.774 -8.322 1.00 34.52 C ATOM 221 O ARG A 15 21.017 -5.920 -8.010 1.00 52.12 O ATOM 222 CB ARG A 15 22.443 -8.399 -6.516 1.00 62.42 C ATOM 223 CG ARG A 15 22.247 -9.772 -5.894 1.00 20.03 C ATOM 224 CD ARG A 15 20.773 -10.086 -5.691 1.00 21.24 C ATOM 225 NE ARG A 15 20.171 -10.681 -6.881 1.00 2.01 N ATOM 226 CZ ARG A 15 18.943 -11.185 -6.909 1.00 75.14 C ATOM 227 NH1 ARG A 15 18.189 -11.166 -5.819 1.00 1.14 N ATOM 228 NH2 ARG A 15 18.465 -11.709 -8.031 1.00 60.30 N ATOM 0 H ARG A 15 22.987 -9.727 -8.519 1.00 74.24 H new ATOM 0 HA ARG A 15 20.642 -8.426 -7.689 1.00 42.53 H new ATOM 0 HB2 ARG A 15 23.508 -8.232 -6.679 1.00 62.42 H new ATOM 0 HB3 ARG A 15 22.105 -7.639 -5.812 1.00 62.42 H new ATOM 0 HG2 ARG A 15 22.697 -10.530 -6.535 1.00 20.03 H new ATOM 0 HG3 ARG A 15 22.765 -9.816 -4.936 1.00 20.03 H new ATOM 0 HD2 ARG A 15 20.660 -10.768 -4.848 1.00 21.24 H new ATOM 0 HD3 ARG A 15 20.240 -9.171 -5.434 1.00 21.24 H new ATOM 0 HE ARG A 15 20.724 -10.711 -7.737 1.00 2.01 H new ATOM 0 HH11 ARG A 15 18.552 -10.763 -4.955 1.00 1.14 H new ATOM 0 HH12 ARG A 15 17.246 -11.554 -5.844 1.00 1.14 H new ATOM 0 HH21 ARG A 15 19.041 -11.725 -8.873 1.00 60.30 H new ATOM 0 HH22 ARG A 15 17.521 -12.096 -8.052 1.00 60.30 H new ATOM 242 N ALA A 16 22.904 -6.513 -9.082 1.00 1.24 N ATOM 243 CA ALA A 16 23.156 -5.176 -9.606 1.00 64.51 C ATOM 244 C ALA A 16 22.216 -4.854 -10.762 1.00 54.21 C ATOM 245 O ALA A 16 21.788 -3.711 -10.927 1.00 51.44 O ATOM 246 CB ALA A 16 24.606 -5.049 -10.051 1.00 73.13 C ATOM 0 H ALA A 16 23.600 -7.209 -9.349 1.00 1.24 H new ATOM 0 HA ALA A 16 22.968 -4.458 -8.808 1.00 64.51 H new ATOM 0 HB1 ALA A 16 24.781 -4.046 -10.440 1.00 73.13 H new ATOM 0 HB2 ALA A 16 25.264 -5.228 -9.201 1.00 73.13 H new ATOM 0 HB3 ALA A 16 24.813 -5.782 -10.831 1.00 73.13 H new ATOM 252 N LEU A 17 21.897 -5.867 -11.560 1.00 64.01 N ATOM 253 CA LEU A 17 21.007 -5.691 -12.702 1.00 60.02 C ATOM 254 C LEU A 17 19.568 -5.476 -12.243 1.00 64.20 C ATOM 255 O LEU A 17 18.815 -4.720 -12.858 1.00 62.34 O ATOM 256 CB LEU A 17 21.083 -6.908 -13.626 1.00 23.03 C ATOM 257 CG LEU A 17 20.264 -6.825 -14.914 1.00 72.40 C ATOM 258 CD1 LEU A 17 18.808 -7.175 -14.644 1.00 45.32 C ATOM 259 CD2 LEU A 17 20.376 -5.438 -15.529 1.00 60.24 C ATOM 0 H LEU A 17 22.242 -6.819 -11.437 1.00 64.01 H new ATOM 0 HA LEU A 17 21.330 -4.806 -13.250 1.00 60.02 H new ATOM 0 HB2 LEU A 17 22.127 -7.072 -13.893 1.00 23.03 H new ATOM 0 HB3 LEU A 17 20.756 -7.785 -13.067 1.00 23.03 H new ATOM 0 HG LEU A 17 20.665 -7.548 -15.624 1.00 72.40 H new ATOM 0 HD11 LEU A 17 18.240 -7.111 -15.572 1.00 45.32 H new ATOM 0 HD12 LEU A 17 18.745 -8.189 -14.249 1.00 45.32 H new ATOM 0 HD13 LEU A 17 18.395 -6.476 -13.917 1.00 45.32 H new ATOM 0 HD21 LEU A 17 19.787 -5.397 -16.445 1.00 60.24 H new ATOM 0 HD22 LEU A 17 20.002 -4.696 -14.824 1.00 60.24 H new ATOM 0 HD23 LEU A 17 21.420 -5.225 -15.760 1.00 60.24 H new ATOM 271 N LEU A 18 19.194 -6.144 -11.157 1.00 55.24 N ATOM 272 CA LEU A 18 17.845 -6.024 -10.613 1.00 62.54 C ATOM 273 C LEU A 18 17.723 -4.790 -9.726 1.00 42.43 C ATOM 274 O LEU A 18 16.678 -4.139 -9.690 1.00 20.44 O ATOM 275 CB LEU A 18 17.484 -7.278 -9.815 1.00 15.13 C ATOM 276 CG LEU A 18 17.342 -7.093 -8.303 1.00 72.25 C ATOM 277 CD1 LEU A 18 16.008 -6.445 -7.968 1.00 12.13 C ATOM 278 CD2 LEU A 18 17.483 -8.429 -7.587 1.00 42.54 C ATOM 0 H LEU A 18 19.805 -6.773 -10.636 1.00 55.24 H new ATOM 0 HA LEU A 18 17.151 -5.918 -11.447 1.00 62.54 H new ATOM 0 HB2 LEU A 18 16.545 -7.673 -10.202 1.00 15.13 H new ATOM 0 HB3 LEU A 18 18.248 -8.034 -9.998 1.00 15.13 H new ATOM 0 HG LEU A 18 18.139 -6.434 -7.960 1.00 72.25 H new ATOM 0 HD11 LEU A 18 15.925 -6.321 -6.888 1.00 12.13 H new ATOM 0 HD12 LEU A 18 15.946 -5.470 -8.451 1.00 12.13 H new ATOM 0 HD13 LEU A 18 15.196 -7.079 -8.324 1.00 12.13 H new ATOM 0 HD21 LEU A 18 17.379 -8.279 -6.512 1.00 42.54 H new ATOM 0 HD22 LEU A 18 16.707 -9.112 -7.934 1.00 42.54 H new ATOM 0 HD23 LEU A 18 18.463 -8.855 -7.801 1.00 42.54 H new ATOM 290 N HIS A 19 18.799 -4.470 -9.014 1.00 21.41 N ATOM 291 CA HIS A 19 18.814 -3.311 -8.129 1.00 34.12 C ATOM 292 C HIS A 19 18.601 -2.023 -8.918 1.00 1.44 C ATOM 293 O HIS A 19 17.955 -1.090 -8.440 1.00 23.43 O ATOM 294 CB HIS A 19 20.136 -3.243 -7.365 1.00 3.12 C ATOM 295 CG HIS A 19 20.380 -1.920 -6.707 1.00 44.40 C ATOM 296 ND1 HIS A 19 19.695 -1.275 -5.734 1.00 42.11 N flip ATOM 297 CD2 HIS A 19 21.438 -1.099 -7.037 1.00 41.21 C flip ATOM 298 CE1 HIS A 19 20.345 -0.089 -5.496 1.00 70.34 C flip ATOM 299 NE2 HIS A 19 21.394 -0.007 -6.294 1.00 3.04 N flip ATOM 0 H HIS A 19 19.672 -4.997 -9.033 1.00 21.41 H new ATOM 0 HA HIS A 19 17.997 -3.419 -7.416 1.00 34.12 H new ATOM 0 HB2 HIS A 19 20.148 -4.025 -6.606 1.00 3.12 H new ATOM 0 HB3 HIS A 19 20.955 -3.454 -8.053 1.00 3.12 H new ATOM 0 HD2 HIS A 19 22.186 -1.315 -7.786 1.00 41.21 H new ATOM 0 HE1 HIS A 19 20.047 0.656 -4.773 1.00 70.34 H new ATOM 0 HE2 HIS A 19 22.057 0.767 -6.331 1.00 3.04 H new ATOM 307 N ALA A 20 19.149 -1.978 -10.127 1.00 44.24 N ATOM 308 CA ALA A 20 19.019 -0.805 -10.982 1.00 54.54 C ATOM 309 C ALA A 20 17.601 -0.679 -11.529 1.00 73.24 C ATOM 310 O ALA A 20 17.033 0.413 -11.569 1.00 43.15 O ATOM 311 CB ALA A 20 20.023 -0.869 -12.124 1.00 11.55 C ATOM 0 H ALA A 20 19.688 -2.741 -10.537 1.00 44.24 H new ATOM 0 HA ALA A 20 19.228 0.078 -10.378 1.00 54.54 H new ATOM 0 HB1 ALA A 20 19.914 0.014 -12.754 1.00 11.55 H new ATOM 0 HB2 ALA A 20 21.034 -0.903 -11.718 1.00 11.55 H new ATOM 0 HB3 ALA A 20 19.841 -1.764 -12.719 1.00 11.55 H new ATOM 317 N THR A 21 17.032 -1.805 -11.951 1.00 43.53 N ATOM 318 CA THR A 21 15.681 -1.820 -12.498 1.00 24.31 C ATOM 319 C THR A 21 14.684 -1.215 -11.516 1.00 61.54 C ATOM 320 O THR A 21 14.007 -0.235 -11.828 1.00 73.25 O ATOM 321 CB THR A 21 15.234 -3.252 -12.850 1.00 4.32 C ATOM 322 OG1 THR A 21 16.358 -4.020 -13.294 1.00 72.51 O ATOM 323 CG2 THR A 21 14.166 -3.234 -13.932 1.00 75.11 C ATOM 0 H THR A 21 17.486 -2.718 -11.924 1.00 43.53 H new ATOM 0 HA THR A 21 15.701 -1.220 -13.407 1.00 24.31 H new ATOM 0 HB THR A 21 14.813 -3.709 -11.954 1.00 4.32 H new ATOM 0 HG1 THR A 21 16.066 -4.929 -13.514 1.00 72.51 H new ATOM 0 HG21 THR A 21 13.866 -4.256 -14.164 1.00 75.11 H new ATOM 0 HG22 THR A 21 13.301 -2.673 -13.580 1.00 75.11 H new ATOM 0 HG23 THR A 21 14.565 -2.760 -14.829 1.00 75.11 H new ATOM 331 N LEU A 22 14.599 -1.805 -10.329 1.00 14.42 N ATOM 332 CA LEU A 22 13.684 -1.323 -9.300 1.00 15.12 C ATOM 333 C LEU A 22 14.050 0.092 -8.865 1.00 12.53 C ATOM 334 O LEU A 22 13.176 0.908 -8.571 1.00 21.33 O ATOM 335 CB LEU A 22 13.703 -2.261 -8.092 1.00 24.20 C ATOM 336 CG LEU A 22 12.804 -3.494 -8.185 1.00 34.11 C ATOM 337 CD1 LEU A 22 13.182 -4.512 -7.121 1.00 32.43 C ATOM 338 CD2 LEU A 22 11.340 -3.098 -8.051 1.00 5.25 C ATOM 0 H LEU A 22 15.152 -2.617 -10.055 1.00 14.42 H new ATOM 0 HA LEU A 22 12.679 -1.305 -9.722 1.00 15.12 H new ATOM 0 HB2 LEU A 22 14.728 -2.595 -7.933 1.00 24.20 H new ATOM 0 HB3 LEU A 22 13.413 -1.690 -7.210 1.00 24.20 H new ATOM 0 HG LEU A 22 12.948 -3.952 -9.164 1.00 34.11 H new ATOM 0 HD11 LEU A 22 12.531 -5.383 -7.203 1.00 32.43 H new ATOM 0 HD12 LEU A 22 14.218 -4.819 -7.263 1.00 32.43 H new ATOM 0 HD13 LEU A 22 13.068 -4.065 -6.133 1.00 32.43 H new ATOM 0 HD21 LEU A 22 10.715 -3.988 -8.120 1.00 5.25 H new ATOM 0 HD22 LEU A 22 11.180 -2.616 -7.087 1.00 5.25 H new ATOM 0 HD23 LEU A 22 11.076 -2.406 -8.851 1.00 5.25 H new ATOM 350 N ALA A 23 15.347 0.378 -8.828 1.00 63.42 N ATOM 351 CA ALA A 23 15.829 1.695 -8.433 1.00 40.45 C ATOM 352 C ALA A 23 15.237 2.785 -9.321 1.00 62.12 C ATOM 353 O ALA A 23 14.699 3.775 -8.827 1.00 55.15 O ATOM 354 CB ALA A 23 17.349 1.739 -8.484 1.00 21.31 C ATOM 0 H ALA A 23 16.084 -0.286 -9.067 1.00 63.42 H new ATOM 0 HA ALA A 23 15.505 1.880 -7.409 1.00 40.45 H new ATOM 0 HB1 ALA A 23 17.695 2.729 -8.186 1.00 21.31 H new ATOM 0 HB2 ALA A 23 17.758 0.992 -7.803 1.00 21.31 H new ATOM 0 HB3 ALA A 23 17.685 1.527 -9.499 1.00 21.31 H new ATOM 360 N GLN A 24 15.342 2.595 -10.633 1.00 11.15 N ATOM 361 CA GLN A 24 14.818 3.563 -11.588 1.00 54.43 C ATOM 362 C GLN A 24 13.322 3.778 -11.381 1.00 71.45 C ATOM 363 O GLN A 24 12.808 4.876 -11.588 1.00 10.51 O ATOM 364 CB GLN A 24 15.085 3.095 -13.020 1.00 34.33 C ATOM 365 CG GLN A 24 16.542 3.212 -13.436 1.00 71.44 C ATOM 366 CD GLN A 24 17.024 4.648 -13.475 1.00 5.22 C ATOM 367 OE1 GLN A 24 17.688 5.117 -12.550 1.00 1.23 O ATOM 368 NE2 GLN A 24 16.693 5.356 -14.548 1.00 60.25 N ATOM 0 H GLN A 24 15.785 1.780 -11.058 1.00 11.15 H new ATOM 0 HA GLN A 24 15.329 4.512 -11.422 1.00 54.43 H new ATOM 0 HB2 GLN A 24 14.770 2.056 -13.119 1.00 34.33 H new ATOM 0 HB3 GLN A 24 14.472 3.681 -13.705 1.00 34.33 H new ATOM 0 HG2 GLN A 24 17.161 2.644 -12.742 1.00 71.44 H new ATOM 0 HG3 GLN A 24 16.672 2.762 -14.420 1.00 71.44 H new ATOM 0 HE21 GLN A 24 16.141 4.928 -15.291 1.00 60.25 H new ATOM 0 HE22 GLN A 24 16.990 6.328 -14.629 1.00 60.25 H new ATOM 377 N ALA A 25 12.629 2.720 -10.973 1.00 33.12 N ATOM 378 CA ALA A 25 11.192 2.793 -10.737 1.00 22.25 C ATOM 379 C ALA A 25 10.878 3.678 -9.536 1.00 13.25 C ATOM 380 O ALA A 25 9.760 4.173 -9.392 1.00 64.22 O ATOM 381 CB ALA A 25 10.620 1.398 -10.531 1.00 13.22 C ATOM 0 H ALA A 25 13.039 1.802 -10.799 1.00 33.12 H new ATOM 0 HA ALA A 25 10.726 3.239 -11.616 1.00 22.25 H new ATOM 0 HB1 ALA A 25 9.546 1.467 -10.356 1.00 13.22 H new ATOM 0 HB2 ALA A 25 10.805 0.794 -11.420 1.00 13.22 H new ATOM 0 HB3 ALA A 25 11.099 0.932 -9.670 1.00 13.22 H new ATOM 387 N GLY A 26 11.871 3.874 -8.674 1.00 21.44 N ATOM 388 CA GLY A 26 11.679 4.699 -7.495 1.00 64.04 C ATOM 389 C GLY A 26 11.736 3.897 -6.210 1.00 41.03 C ATOM 390 O GLY A 26 12.186 4.396 -5.178 1.00 54.03 O ATOM 0 H GLY A 26 12.805 3.476 -8.771 1.00 21.44 H new ATOM 0 HA2 GLY A 26 12.444 5.475 -7.470 1.00 64.04 H new ATOM 0 HA3 GLY A 26 10.715 5.204 -7.562 1.00 64.04 H new ATOM 394 N TYR A 27 11.278 2.652 -6.271 1.00 60.34 N ATOM 395 CA TYR A 27 11.275 1.780 -5.102 1.00 53.44 C ATOM 396 C TYR A 27 12.653 1.739 -4.450 1.00 21.12 C ATOM 397 O TYR A 27 13.669 1.968 -5.106 1.00 33.15 O ATOM 398 CB TYR A 27 10.841 0.367 -5.495 1.00 23.00 C ATOM 399 CG TYR A 27 9.566 0.328 -6.306 1.00 51.12 C ATOM 400 CD1 TYR A 27 9.572 -0.106 -7.626 1.00 61.41 C ATOM 401 CD2 TYR A 27 8.355 0.726 -5.754 1.00 1.55 C ATOM 402 CE1 TYR A 27 8.410 -0.143 -8.371 1.00 75.15 C ATOM 403 CE2 TYR A 27 7.188 0.692 -6.491 1.00 35.31 C ATOM 404 CZ TYR A 27 7.220 0.256 -7.799 1.00 52.53 C ATOM 405 OH TYR A 27 6.059 0.222 -8.538 1.00 21.24 O ATOM 0 H TYR A 27 10.904 2.223 -7.118 1.00 60.34 H new ATOM 0 HA TYR A 27 10.564 2.183 -4.381 1.00 53.44 H new ATOM 0 HB2 TYR A 27 11.640 -0.103 -6.068 1.00 23.00 H new ATOM 0 HB3 TYR A 27 10.705 -0.227 -4.591 1.00 23.00 H new ATOM 0 HD1 TYR A 27 10.502 -0.420 -8.077 1.00 61.41 H new ATOM 0 HD2 TYR A 27 8.326 1.068 -4.730 1.00 1.55 H new ATOM 0 HE1 TYR A 27 8.433 -0.483 -9.396 1.00 75.15 H new ATOM 0 HE2 TYR A 27 6.255 1.005 -6.046 1.00 35.31 H new ATOM 0 HH TYR A 27 5.311 0.534 -7.987 1.00 21.24 H new ATOM 415 N GLU A 28 12.678 1.444 -3.154 1.00 4.43 N ATOM 416 CA GLU A 28 13.932 1.373 -2.412 1.00 34.14 C ATOM 417 C GLU A 28 14.400 -0.073 -2.273 1.00 1.20 C ATOM 418 O GLU A 28 14.184 -0.711 -1.243 1.00 21.13 O ATOM 419 CB GLU A 28 13.767 2.002 -1.027 1.00 14.13 C ATOM 420 CG GLU A 28 15.085 2.287 -0.327 1.00 32.24 C ATOM 421 CD GLU A 28 15.694 3.611 -0.745 1.00 74.14 C ATOM 422 OE1 GLU A 28 15.058 4.659 -0.506 1.00 63.12 O ATOM 423 OE2 GLU A 28 16.806 3.599 -1.312 1.00 64.54 O ATOM 0 H GLU A 28 11.846 1.251 -2.597 1.00 4.43 H new ATOM 0 HA GLU A 28 14.686 1.930 -2.968 1.00 34.14 H new ATOM 0 HB2 GLU A 28 13.208 2.933 -1.124 1.00 14.13 H new ATOM 0 HB3 GLU A 28 13.171 1.336 -0.403 1.00 14.13 H new ATOM 0 HG2 GLU A 28 14.926 2.289 0.751 1.00 32.24 H new ATOM 0 HG3 GLU A 28 15.788 1.483 -0.544 1.00 32.24 H new ATOM 430 N VAL A 29 15.042 -0.583 -3.319 1.00 25.43 N ATOM 431 CA VAL A 29 15.542 -1.953 -3.315 1.00 23.13 C ATOM 432 C VAL A 29 16.970 -2.015 -2.784 1.00 21.40 C ATOM 433 O VAL A 29 17.777 -1.119 -3.033 1.00 63.32 O ATOM 434 CB VAL A 29 15.504 -2.569 -4.726 1.00 15.11 C ATOM 435 CG1 VAL A 29 16.255 -1.689 -5.714 1.00 15.15 C ATOM 436 CG2 VAL A 29 16.080 -3.977 -4.708 1.00 54.35 C ATOM 0 H VAL A 29 15.228 -0.068 -4.180 1.00 25.43 H new ATOM 0 HA VAL A 29 14.888 -2.527 -2.659 1.00 23.13 H new ATOM 0 HB VAL A 29 14.465 -2.630 -5.049 1.00 15.11 H new ATOM 0 HG11 VAL A 29 16.217 -2.141 -6.705 1.00 15.15 H new ATOM 0 HG12 VAL A 29 15.793 -0.702 -5.747 1.00 15.15 H new ATOM 0 HG13 VAL A 29 17.294 -1.593 -5.399 1.00 15.15 H new ATOM 0 HG21 VAL A 29 16.045 -4.397 -5.713 1.00 54.35 H new ATOM 0 HG22 VAL A 29 17.114 -3.943 -4.364 1.00 54.35 H new ATOM 0 HG23 VAL A 29 15.494 -4.601 -4.033 1.00 54.35 H new ATOM 446 N THR A 30 17.277 -3.081 -2.050 1.00 50.31 N ATOM 447 CA THR A 30 18.607 -3.261 -1.483 1.00 4.40 C ATOM 448 C THR A 30 19.111 -4.683 -1.702 1.00 51.33 C ATOM 449 O THR A 30 18.321 -5.615 -1.857 1.00 5.34 O ATOM 450 CB THR A 30 18.622 -2.950 0.026 1.00 73.13 C ATOM 451 OG1 THR A 30 17.904 -1.738 0.283 1.00 30.12 O ATOM 452 CG2 THR A 30 20.048 -2.819 0.538 1.00 62.33 C ATOM 0 H THR A 30 16.622 -3.832 -1.835 1.00 50.31 H new ATOM 0 HA THR A 30 19.266 -2.562 -1.997 1.00 4.40 H new ATOM 0 HB THR A 30 18.140 -3.776 0.549 1.00 73.13 H new ATOM 0 HG1 THR A 30 17.917 -1.548 1.244 1.00 30.12 H new ATOM 0 HG21 THR A 30 20.033 -2.599 1.606 1.00 62.33 H new ATOM 0 HG22 THR A 30 20.583 -3.753 0.367 1.00 62.33 H new ATOM 0 HG23 THR A 30 20.552 -2.010 0.009 1.00 62.33 H new ATOM 460 N VAL A 31 20.430 -4.843 -1.715 1.00 24.14 N ATOM 461 CA VAL A 31 21.039 -6.153 -1.913 1.00 45.23 C ATOM 462 C VAL A 31 21.907 -6.542 -0.722 1.00 1.14 C ATOM 463 O VAL A 31 22.636 -5.714 -0.175 1.00 34.42 O ATOM 464 CB VAL A 31 21.898 -6.184 -3.192 1.00 22.34 C ATOM 465 CG1 VAL A 31 21.082 -5.737 -4.395 1.00 31.14 C ATOM 466 CG2 VAL A 31 23.135 -5.315 -3.023 1.00 63.24 C ATOM 0 H VAL A 31 21.098 -4.082 -1.591 1.00 24.14 H new ATOM 0 HA VAL A 31 20.224 -6.869 -2.013 1.00 45.23 H new ATOM 0 HB VAL A 31 22.223 -7.210 -3.366 1.00 22.34 H new ATOM 0 HG11 VAL A 31 21.706 -5.766 -5.289 1.00 31.14 H new ATOM 0 HG12 VAL A 31 20.230 -6.405 -4.525 1.00 31.14 H new ATOM 0 HG13 VAL A 31 20.724 -4.720 -4.234 1.00 31.14 H new ATOM 0 HG21 VAL A 31 23.730 -5.348 -3.935 1.00 63.24 H new ATOM 0 HG22 VAL A 31 22.833 -4.287 -2.824 1.00 63.24 H new ATOM 0 HG23 VAL A 31 23.729 -5.686 -2.188 1.00 63.24 H new ATOM 476 N ALA A 32 21.824 -7.807 -0.324 1.00 60.33 N ATOM 477 CA ALA A 32 22.604 -8.307 0.801 1.00 34.42 C ATOM 478 C ALA A 32 23.821 -9.090 0.321 1.00 2.12 C ATOM 479 O ALA A 32 24.047 -9.230 -0.880 1.00 54.24 O ATOM 480 CB ALA A 32 21.736 -9.176 1.700 1.00 71.44 C ATOM 0 H ALA A 32 21.224 -8.505 -0.764 1.00 60.33 H new ATOM 0 HA ALA A 32 22.959 -7.450 1.374 1.00 34.42 H new ATOM 0 HB1 ALA A 32 22.331 -9.543 2.536 1.00 71.44 H new ATOM 0 HB2 ALA A 32 20.901 -8.587 2.080 1.00 71.44 H new ATOM 0 HB3 ALA A 32 21.353 -10.022 1.129 1.00 71.44 H new ATOM 486 N ALA A 33 24.604 -9.597 1.268 1.00 34.41 N ATOM 487 CA ALA A 33 25.798 -10.367 0.941 1.00 14.22 C ATOM 488 C ALA A 33 25.493 -11.860 0.897 1.00 62.41 C ATOM 489 O ALA A 33 26.055 -12.594 0.083 1.00 33.12 O ATOM 490 CB ALA A 33 26.902 -10.081 1.948 1.00 12.12 C ATOM 0 H ALA A 33 24.433 -9.488 2.268 1.00 34.41 H new ATOM 0 HA ALA A 33 26.137 -10.063 -0.049 1.00 14.22 H new ATOM 0 HB1 ALA A 33 27.788 -10.663 1.692 1.00 12.12 H new ATOM 0 HB2 ALA A 33 27.147 -9.019 1.928 1.00 12.12 H new ATOM 0 HB3 ALA A 33 26.564 -10.356 2.947 1.00 12.12 H new ATOM 496 N ASP A 34 24.602 -12.304 1.777 1.00 61.05 N ATOM 497 CA ASP A 34 24.223 -13.711 1.837 1.00 12.25 C ATOM 498 C ASP A 34 22.751 -13.861 2.210 1.00 22.20 C ATOM 499 O ASP A 34 22.164 -12.977 2.832 1.00 42.43 O ATOM 500 CB ASP A 34 25.096 -14.453 2.850 1.00 65.22 C ATOM 501 CG ASP A 34 25.138 -15.947 2.594 1.00 53.15 C ATOM 502 OD1 ASP A 34 24.938 -16.355 1.430 1.00 3.53 O ATOM 503 OD2 ASP A 34 25.369 -16.708 3.556 1.00 34.34 O ATOM 0 H ASP A 34 24.129 -11.710 2.458 1.00 61.05 H new ATOM 0 HA ASP A 34 24.376 -14.146 0.849 1.00 12.25 H new ATOM 0 HB2 ASP A 34 26.109 -14.053 2.814 1.00 65.22 H new ATOM 0 HB3 ASP A 34 24.716 -14.270 3.855 1.00 65.22 H new ATOM 508 N GLY A 35 22.160 -14.988 1.824 1.00 22.12 N ATOM 509 CA GLY A 35 20.762 -15.233 2.125 1.00 31.23 C ATOM 510 C GLY A 35 20.445 -15.050 3.596 1.00 12.32 C ATOM 511 O GLY A 35 19.345 -14.627 3.952 1.00 22.41 O ATOM 0 H GLY A 35 22.625 -15.735 1.308 1.00 22.12 H new ATOM 0 HA2 GLY A 35 20.143 -14.556 1.536 1.00 31.23 H new ATOM 0 HA3 GLY A 35 20.501 -16.248 1.824 1.00 31.23 H new ATOM 515 N GLU A 36 21.410 -15.370 4.453 1.00 41.54 N ATOM 516 CA GLU A 36 21.226 -15.240 5.893 1.00 1.42 C ATOM 517 C GLU A 36 21.197 -13.771 6.308 1.00 63.22 C ATOM 518 O GLU A 36 20.296 -13.335 7.023 1.00 51.22 O ATOM 519 CB GLU A 36 22.344 -15.970 6.640 1.00 32.05 C ATOM 520 CG GLU A 36 22.262 -15.825 8.151 1.00 44.43 C ATOM 521 CD GLU A 36 23.194 -16.774 8.879 1.00 1.32 C ATOM 522 OE1 GLU A 36 23.351 -16.625 10.109 1.00 40.40 O ATOM 523 OE2 GLU A 36 23.766 -17.666 8.219 1.00 61.13 O ATOM 0 H GLU A 36 22.326 -15.721 4.175 1.00 41.54 H new ATOM 0 HA GLU A 36 20.269 -15.692 6.153 1.00 1.42 H new ATOM 0 HB2 GLU A 36 22.310 -17.029 6.383 1.00 32.05 H new ATOM 0 HB3 GLU A 36 23.307 -15.589 6.299 1.00 32.05 H new ATOM 0 HG2 GLU A 36 22.505 -14.799 8.428 1.00 44.43 H new ATOM 0 HG3 GLU A 36 21.237 -16.008 8.475 1.00 44.43 H new ATOM 530 N ALA A 37 22.191 -13.015 5.854 1.00 41.33 N ATOM 531 CA ALA A 37 22.280 -11.596 6.175 1.00 13.15 C ATOM 532 C ALA A 37 21.035 -10.848 5.709 1.00 61.41 C ATOM 533 O ALA A 37 20.586 -9.904 6.358 1.00 64.34 O ATOM 534 CB ALA A 37 23.527 -10.990 5.550 1.00 2.31 C ATOM 0 H ALA A 37 22.946 -13.362 5.263 1.00 41.33 H new ATOM 0 HA ALA A 37 22.346 -11.498 7.259 1.00 13.15 H new ATOM 0 HB1 ALA A 37 23.580 -9.930 5.798 1.00 2.31 H new ATOM 0 HB2 ALA A 37 24.411 -11.498 5.936 1.00 2.31 H new ATOM 0 HB3 ALA A 37 23.485 -11.107 4.467 1.00 2.31 H new ATOM 540 N GLY A 38 20.482 -11.277 4.578 1.00 33.24 N ATOM 541 CA GLY A 38 19.294 -10.636 4.044 1.00 64.30 C ATOM 542 C GLY A 38 18.033 -11.053 4.773 1.00 75.41 C ATOM 543 O GLY A 38 17.190 -10.217 5.099 1.00 71.01 O ATOM 0 H GLY A 38 20.835 -12.056 4.023 1.00 33.24 H new ATOM 0 HA2 GLY A 38 19.408 -9.554 4.111 1.00 64.30 H new ATOM 0 HA3 GLY A 38 19.197 -10.882 2.986 1.00 64.30 H new ATOM 547 N PHE A 39 17.900 -12.351 5.028 1.00 0.22 N ATOM 548 CA PHE A 39 16.730 -12.878 5.721 1.00 61.11 C ATOM 549 C PHE A 39 16.676 -12.373 7.160 1.00 42.44 C ATOM 550 O PHE A 39 15.630 -11.930 7.635 1.00 61.13 O ATOM 551 CB PHE A 39 16.749 -14.408 5.706 1.00 11.04 C ATOM 552 CG PHE A 39 15.967 -15.006 4.572 1.00 30.41 C ATOM 553 CD1 PHE A 39 14.634 -14.680 4.384 1.00 14.33 C ATOM 554 CD2 PHE A 39 16.565 -15.895 3.693 1.00 3.15 C ATOM 555 CE1 PHE A 39 13.912 -15.230 3.342 1.00 53.41 C ATOM 556 CE2 PHE A 39 15.849 -16.448 2.649 1.00 55.31 C ATOM 557 CZ PHE A 39 14.520 -16.114 2.472 1.00 2.34 C ATOM 0 H PHE A 39 18.588 -13.057 4.765 1.00 0.22 H new ATOM 0 HA PHE A 39 15.840 -12.527 5.198 1.00 61.11 H new ATOM 0 HB2 PHE A 39 17.782 -14.750 5.644 1.00 11.04 H new ATOM 0 HB3 PHE A 39 16.347 -14.778 6.649 1.00 11.04 H new ATOM 0 HD1 PHE A 39 14.153 -13.988 5.060 1.00 14.33 H new ATOM 0 HD2 PHE A 39 17.604 -16.159 3.826 1.00 3.15 H new ATOM 0 HE1 PHE A 39 12.873 -14.969 3.208 1.00 53.41 H new ATOM 0 HE2 PHE A 39 16.327 -17.140 1.972 1.00 55.31 H new ATOM 0 HZ PHE A 39 13.958 -16.543 1.656 1.00 2.34 H new ATOM 567 N ASP A 40 17.810 -12.442 7.848 1.00 64.34 N ATOM 568 CA ASP A 40 17.894 -11.992 9.232 1.00 51.30 C ATOM 569 C ASP A 40 17.431 -10.544 9.361 1.00 44.30 C ATOM 570 O ASP A 40 16.813 -10.165 10.357 1.00 50.44 O ATOM 571 CB ASP A 40 19.326 -12.131 9.750 1.00 1.34 C ATOM 572 CG ASP A 40 19.421 -11.927 11.250 1.00 44.23 C ATOM 573 OD1 ASP A 40 19.045 -12.852 12.000 1.00 51.12 O ATOM 574 OD2 ASP A 40 19.873 -10.843 11.673 1.00 4.40 O ATOM 0 H ASP A 40 18.685 -12.806 7.469 1.00 64.34 H new ATOM 0 HA ASP A 40 17.236 -12.620 9.833 1.00 51.30 H new ATOM 0 HB2 ASP A 40 19.707 -13.120 9.496 1.00 1.34 H new ATOM 0 HB3 ASP A 40 19.964 -11.405 9.246 1.00 1.34 H new ATOM 579 N LEU A 41 17.736 -9.739 8.349 1.00 13.42 N ATOM 580 CA LEU A 41 17.352 -8.331 8.349 1.00 21.13 C ATOM 581 C LEU A 41 15.919 -8.157 7.857 1.00 60.13 C ATOM 582 O LEU A 41 15.193 -7.282 8.327 1.00 53.14 O ATOM 583 CB LEU A 41 18.307 -7.522 7.470 1.00 3.35 C ATOM 584 CG LEU A 41 19.750 -7.416 7.967 1.00 14.02 C ATOM 585 CD1 LEU A 41 20.619 -6.713 6.936 1.00 21.13 C ATOM 586 CD2 LEU A 41 19.802 -6.684 9.300 1.00 3.12 C ATOM 0 H LEU A 41 18.248 -10.037 7.518 1.00 13.42 H new ATOM 0 HA LEU A 41 17.411 -7.964 9.374 1.00 21.13 H new ATOM 0 HB2 LEU A 41 18.318 -7.967 6.475 1.00 3.35 H new ATOM 0 HB3 LEU A 41 17.905 -6.514 7.364 1.00 3.35 H new ATOM 0 HG LEU A 41 20.139 -8.424 8.113 1.00 14.02 H new ATOM 0 HD11 LEU A 41 21.642 -6.647 7.307 1.00 21.13 H new ATOM 0 HD12 LEU A 41 20.607 -7.278 6.004 1.00 21.13 H new ATOM 0 HD13 LEU A 41 20.232 -5.710 6.757 1.00 21.13 H new ATOM 0 HD21 LEU A 41 20.836 -6.618 9.639 1.00 3.12 H new ATOM 0 HD22 LEU A 41 19.394 -5.680 9.180 1.00 3.12 H new ATOM 0 HD23 LEU A 41 19.213 -7.229 10.038 1.00 3.12 H new ATOM 598 N ALA A 42 15.518 -8.998 6.909 1.00 65.12 N ATOM 599 CA ALA A 42 14.171 -8.940 6.356 1.00 61.22 C ATOM 600 C ALA A 42 13.121 -9.027 7.458 1.00 30.51 C ATOM 601 O ALA A 42 12.005 -8.532 7.306 1.00 72.35 O ATOM 602 CB ALA A 42 13.968 -10.056 5.342 1.00 65.14 C ATOM 0 H ALA A 42 16.107 -9.728 6.508 1.00 65.12 H new ATOM 0 HA ALA A 42 14.053 -7.981 5.852 1.00 61.22 H new ATOM 0 HB1 ALA A 42 12.957 -10.000 4.937 1.00 65.14 H new ATOM 0 HB2 ALA A 42 14.690 -9.948 4.532 1.00 65.14 H new ATOM 0 HB3 ALA A 42 14.111 -11.021 5.829 1.00 65.14 H new ATOM 608 N ALA A 43 13.486 -9.661 8.568 1.00 40.11 N ATOM 609 CA ALA A 43 12.576 -9.812 9.696 1.00 15.31 C ATOM 610 C ALA A 43 12.628 -8.593 10.611 1.00 44.10 C ATOM 611 O ALA A 43 11.651 -8.265 11.284 1.00 34.42 O ATOM 612 CB ALA A 43 12.907 -11.075 10.477 1.00 41.12 C ATOM 0 H ALA A 43 14.406 -10.078 8.710 1.00 40.11 H new ATOM 0 HA ALA A 43 11.563 -9.896 9.304 1.00 15.31 H new ATOM 0 HB1 ALA A 43 12.219 -11.174 11.317 1.00 41.12 H new ATOM 0 HB2 ALA A 43 12.810 -11.942 9.824 1.00 41.12 H new ATOM 0 HB3 ALA A 43 13.929 -11.014 10.851 1.00 41.12 H new ATOM 618 N THR A 44 13.777 -7.924 10.632 1.00 41.30 N ATOM 619 CA THR A 44 13.958 -6.742 11.466 1.00 61.23 C ATOM 620 C THR A 44 13.445 -5.490 10.764 1.00 61.12 C ATOM 621 O THR A 44 13.041 -4.524 11.411 1.00 11.52 O ATOM 622 CB THR A 44 15.439 -6.538 11.837 1.00 20.33 C ATOM 623 OG1 THR A 44 15.547 -6.094 13.194 1.00 11.51 O ATOM 624 CG2 THR A 44 16.094 -5.524 10.912 1.00 24.01 C ATOM 0 H THR A 44 14.596 -8.181 10.081 1.00 41.30 H new ATOM 0 HA THR A 44 13.382 -6.907 12.377 1.00 61.23 H new ATOM 0 HB THR A 44 15.954 -7.492 11.726 1.00 20.33 H new ATOM 0 HG1 THR A 44 16.492 -5.968 13.423 1.00 11.51 H new ATOM 0 HG21 THR A 44 17.139 -5.397 11.194 1.00 24.01 H new ATOM 0 HG22 THR A 44 16.036 -5.879 9.883 1.00 24.01 H new ATOM 0 HG23 THR A 44 15.577 -4.568 10.995 1.00 24.01 H new ATOM 632 N THR A 45 13.463 -5.513 9.435 1.00 51.14 N ATOM 633 CA THR A 45 13.000 -4.379 8.644 1.00 31.24 C ATOM 634 C THR A 45 11.615 -4.642 8.065 1.00 15.01 C ATOM 635 O THR A 45 10.791 -3.733 7.963 1.00 4.12 O ATOM 636 CB THR A 45 13.973 -4.062 7.494 1.00 43.53 C ATOM 637 OG1 THR A 45 15.142 -3.413 8.006 1.00 5.20 O ATOM 638 CG2 THR A 45 13.309 -3.173 6.453 1.00 41.12 C ATOM 0 H THR A 45 13.793 -6.305 8.883 1.00 51.14 H new ATOM 0 HA THR A 45 12.953 -3.522 9.317 1.00 31.24 H new ATOM 0 HB THR A 45 14.258 -5.001 7.019 1.00 43.53 H new ATOM 0 HG1 THR A 45 15.757 -3.216 7.268 1.00 5.20 H new ATOM 0 HG21 THR A 45 14.016 -2.962 5.650 1.00 41.12 H new ATOM 0 HG22 THR A 45 12.436 -3.681 6.044 1.00 41.12 H new ATOM 0 HG23 THR A 45 12.999 -2.237 6.918 1.00 41.12 H new ATOM 646 N ALA A 46 11.363 -5.891 7.688 1.00 64.25 N ATOM 647 CA ALA A 46 10.076 -6.274 7.121 1.00 40.21 C ATOM 648 C ALA A 46 9.829 -5.567 5.793 1.00 40.24 C ATOM 649 O ALA A 46 8.941 -4.721 5.684 1.00 11.01 O ATOM 650 CB ALA A 46 8.955 -5.965 8.102 1.00 52.20 C ATOM 0 H ALA A 46 12.034 -6.655 7.765 1.00 64.25 H new ATOM 0 HA ALA A 46 10.094 -7.348 6.933 1.00 40.21 H new ATOM 0 HB1 ALA A 46 7.999 -6.256 7.666 1.00 52.20 H new ATOM 0 HB2 ALA A 46 9.116 -6.521 9.026 1.00 52.20 H new ATOM 0 HB3 ALA A 46 8.945 -4.897 8.318 1.00 52.20 H new ATOM 656 N TYR A 47 10.620 -5.918 4.785 1.00 41.10 N ATOM 657 CA TYR A 47 10.489 -5.314 3.464 1.00 20.42 C ATOM 658 C TYR A 47 9.171 -5.717 2.809 1.00 22.15 C ATOM 659 O TYR A 47 8.471 -6.607 3.293 1.00 2.12 O ATOM 660 CB TYR A 47 11.661 -5.728 2.573 1.00 44.32 C ATOM 661 CG TYR A 47 12.999 -5.213 3.054 1.00 10.32 C ATOM 662 CD1 TYR A 47 13.678 -5.844 4.089 1.00 75.30 C ATOM 663 CD2 TYR A 47 13.585 -4.095 2.473 1.00 13.41 C ATOM 664 CE1 TYR A 47 14.899 -5.377 4.532 1.00 4.43 C ATOM 665 CE2 TYR A 47 14.807 -3.621 2.909 1.00 40.31 C ATOM 666 CZ TYR A 47 15.460 -4.265 3.939 1.00 1.31 C ATOM 667 OH TYR A 47 16.678 -3.797 4.377 1.00 52.52 O ATOM 0 H TYR A 47 11.359 -6.618 4.857 1.00 41.10 H new ATOM 0 HA TYR A 47 10.498 -4.231 3.585 1.00 20.42 H new ATOM 0 HB2 TYR A 47 11.698 -6.816 2.518 1.00 44.32 H new ATOM 0 HB3 TYR A 47 11.483 -5.364 1.561 1.00 44.32 H new ATOM 0 HD1 TYR A 47 13.243 -6.715 4.555 1.00 75.30 H new ATOM 0 HD2 TYR A 47 13.076 -3.588 1.667 1.00 13.41 H new ATOM 0 HE1 TYR A 47 15.412 -5.879 5.338 1.00 4.43 H new ATOM 0 HE2 TYR A 47 15.249 -2.751 2.446 1.00 40.31 H new ATOM 0 HH TYR A 47 16.933 -3.008 3.854 1.00 52.52 H new ATOM 677 N ASP A 48 8.840 -5.056 1.706 1.00 2.30 N ATOM 678 CA ASP A 48 7.608 -5.344 0.982 1.00 35.52 C ATOM 679 C ASP A 48 7.788 -6.545 0.059 1.00 62.23 C ATOM 680 O ASP A 48 6.860 -7.329 -0.148 1.00 2.54 O ATOM 681 CB ASP A 48 7.169 -4.124 0.172 1.00 52.30 C ATOM 682 CG ASP A 48 5.662 -3.962 0.138 1.00 33.42 C ATOM 683 OD1 ASP A 48 4.987 -4.812 -0.481 1.00 44.13 O ATOM 684 OD2 ASP A 48 5.156 -2.987 0.732 1.00 24.31 O ATOM 0 H ASP A 48 9.408 -4.316 1.293 1.00 2.30 H new ATOM 0 HA ASP A 48 6.835 -5.582 1.712 1.00 35.52 H new ATOM 0 HB2 ASP A 48 7.618 -3.227 0.599 1.00 52.30 H new ATOM 0 HB3 ASP A 48 7.545 -4.214 -0.847 1.00 52.30 H new ATOM 689 N LEU A 49 8.988 -6.684 -0.495 1.00 54.44 N ATOM 690 CA LEU A 49 9.290 -7.789 -1.398 1.00 43.44 C ATOM 691 C LEU A 49 10.709 -8.303 -1.174 1.00 13.45 C ATOM 692 O LEU A 49 11.672 -7.537 -1.216 1.00 71.13 O ATOM 693 CB LEU A 49 9.121 -7.346 -2.853 1.00 13.23 C ATOM 694 CG LEU A 49 8.609 -8.411 -3.823 1.00 40.13 C ATOM 695 CD1 LEU A 49 8.477 -7.836 -5.225 1.00 61.32 C ATOM 696 CD2 LEU A 49 9.534 -9.619 -3.825 1.00 71.31 C ATOM 0 H LEU A 49 9.767 -6.045 -0.335 1.00 54.44 H new ATOM 0 HA LEU A 49 8.592 -8.599 -1.187 1.00 43.44 H new ATOM 0 HB2 LEU A 49 8.433 -6.501 -2.877 1.00 13.23 H new ATOM 0 HB3 LEU A 49 10.083 -6.985 -3.216 1.00 13.23 H new ATOM 0 HG LEU A 49 7.623 -8.734 -3.491 1.00 40.13 H new ATOM 0 HD11 LEU A 49 8.111 -8.608 -5.902 1.00 61.32 H new ATOM 0 HD12 LEU A 49 7.775 -7.003 -5.212 1.00 61.32 H new ATOM 0 HD13 LEU A 49 9.450 -7.485 -5.567 1.00 61.32 H new ATOM 0 HD21 LEU A 49 9.154 -10.367 -4.521 1.00 71.31 H new ATOM 0 HD22 LEU A 49 10.533 -9.311 -4.133 1.00 71.31 H new ATOM 0 HD23 LEU A 49 9.578 -10.045 -2.823 1.00 71.31 H new ATOM 708 N VAL A 50 10.830 -9.605 -0.936 1.00 10.12 N ATOM 709 CA VAL A 50 12.131 -10.222 -0.708 1.00 31.44 C ATOM 710 C VAL A 50 12.463 -11.226 -1.806 1.00 41.23 C ATOM 711 O VAL A 50 11.570 -11.836 -2.396 1.00 22.34 O ATOM 712 CB VAL A 50 12.182 -10.936 0.657 1.00 40.25 C ATOM 713 CG1 VAL A 50 13.598 -11.398 0.965 1.00 70.12 C ATOM 714 CG2 VAL A 50 11.660 -10.022 1.755 1.00 73.10 C ATOM 0 H VAL A 50 10.043 -10.253 -0.896 1.00 10.12 H new ATOM 0 HA VAL A 50 12.868 -9.419 -0.718 1.00 31.44 H new ATOM 0 HB VAL A 50 11.540 -11.816 0.612 1.00 40.25 H new ATOM 0 HG11 VAL A 50 13.615 -11.900 1.932 1.00 70.12 H new ATOM 0 HG12 VAL A 50 13.931 -12.090 0.192 1.00 70.12 H new ATOM 0 HG13 VAL A 50 14.264 -10.536 0.992 1.00 70.12 H new ATOM 0 HG21 VAL A 50 11.703 -10.542 2.712 1.00 73.10 H new ATOM 0 HG22 VAL A 50 12.274 -9.123 1.802 1.00 73.10 H new ATOM 0 HG23 VAL A 50 10.628 -9.746 1.538 1.00 73.10 H new ATOM 724 N LEU A 51 13.753 -11.392 -2.077 1.00 71.32 N ATOM 725 CA LEU A 51 14.205 -12.323 -3.106 1.00 33.13 C ATOM 726 C LEU A 51 15.322 -13.217 -2.578 1.00 44.01 C ATOM 727 O LEU A 51 16.390 -12.736 -2.197 1.00 1.21 O ATOM 728 CB LEU A 51 14.688 -11.557 -4.338 1.00 52.22 C ATOM 729 CG LEU A 51 13.644 -11.312 -5.428 1.00 71.45 C ATOM 730 CD1 LEU A 51 13.173 -12.631 -6.022 1.00 32.14 C ATOM 731 CD2 LEU A 51 12.467 -10.525 -4.873 1.00 15.35 C ATOM 0 H LEU A 51 14.504 -10.895 -1.599 1.00 71.32 H new ATOM 0 HA LEU A 51 13.362 -12.954 -3.386 1.00 33.13 H new ATOM 0 HB2 LEU A 51 15.077 -10.592 -4.012 1.00 52.22 H new ATOM 0 HB3 LEU A 51 15.522 -12.105 -4.778 1.00 52.22 H new ATOM 0 HG LEU A 51 14.106 -10.724 -6.221 1.00 71.45 H new ATOM 0 HD11 LEU A 51 12.430 -12.437 -6.796 1.00 32.14 H new ATOM 0 HD12 LEU A 51 14.022 -13.158 -6.458 1.00 32.14 H new ATOM 0 HD13 LEU A 51 12.729 -13.245 -5.239 1.00 32.14 H new ATOM 0 HD21 LEU A 51 11.734 -10.360 -5.663 1.00 15.35 H new ATOM 0 HD22 LEU A 51 12.005 -11.086 -4.061 1.00 15.35 H new ATOM 0 HD23 LEU A 51 12.817 -9.564 -4.497 1.00 15.35 H new ATOM 743 N THR A 52 15.071 -14.522 -2.561 1.00 20.44 N ATOM 744 CA THR A 52 16.056 -15.484 -2.081 1.00 53.03 C ATOM 745 C THR A 52 16.307 -16.576 -3.115 1.00 52.43 C ATOM 746 O THR A 52 15.512 -16.767 -4.036 1.00 11.51 O ATOM 747 CB THR A 52 15.606 -16.137 -0.761 1.00 24.23 C ATOM 748 OG1 THR A 52 16.569 -17.112 -0.344 1.00 71.21 O ATOM 749 CG2 THR A 52 14.245 -16.797 -0.919 1.00 52.21 C ATOM 0 H THR A 52 14.194 -14.938 -2.874 1.00 20.44 H new ATOM 0 HA THR A 52 16.980 -14.931 -1.908 1.00 53.03 H new ATOM 0 HB THR A 52 15.527 -15.357 -0.004 1.00 24.23 H new ATOM 0 HG1 THR A 52 16.105 -17.896 0.018 1.00 71.21 H new ATOM 0 HG21 THR A 52 13.949 -17.251 0.027 1.00 52.21 H new ATOM 0 HG22 THR A 52 13.508 -16.047 -1.208 1.00 52.21 H new ATOM 0 HG23 THR A 52 14.301 -17.566 -1.689 1.00 52.21 H new ATOM 757 N ASP A 53 17.416 -17.290 -2.957 1.00 52.44 N ATOM 758 CA ASP A 53 17.771 -18.364 -3.877 1.00 73.31 C ATOM 759 C ASP A 53 17.326 -19.717 -3.329 1.00 43.05 C ATOM 760 O ASP A 53 16.809 -20.555 -4.067 1.00 34.32 O ATOM 761 CB ASP A 53 19.279 -18.372 -4.128 1.00 24.31 C ATOM 762 CG ASP A 53 20.080 -18.448 -2.842 1.00 54.25 C ATOM 763 OD1 ASP A 53 20.452 -17.380 -2.311 1.00 60.34 O ATOM 764 OD2 ASP A 53 20.333 -19.574 -2.367 1.00 32.20 O ATOM 0 H ASP A 53 18.085 -17.144 -2.201 1.00 52.44 H new ATOM 0 HA ASP A 53 17.255 -18.187 -4.821 1.00 73.31 H new ATOM 0 HB2 ASP A 53 19.534 -19.221 -4.762 1.00 24.31 H new ATOM 0 HB3 ASP A 53 19.558 -17.471 -4.674 1.00 24.31 H new ATOM 895 N LEU A 62 17.355 -19.033 6.139 1.00 34.42 N ATOM 896 CA LEU A 62 16.183 -19.468 5.387 1.00 73.20 C ATOM 897 C LEU A 62 15.082 -19.951 6.325 1.00 33.55 C ATOM 898 O LEU A 62 13.898 -19.721 6.079 1.00 24.30 O ATOM 899 CB LEU A 62 16.563 -20.584 4.412 1.00 43.53 C ATOM 900 CG LEU A 62 17.094 -20.133 3.050 1.00 1.35 C ATOM 901 CD1 LEU A 62 18.227 -19.133 3.224 1.00 52.33 C ATOM 902 CD2 LEU A 62 17.558 -21.331 2.235 1.00 22.04 C ATOM 0 HA LEU A 62 15.807 -18.614 4.824 1.00 73.20 H new ATOM 0 HB2 LEU A 62 17.319 -21.211 4.885 1.00 43.53 H new ATOM 0 HB3 LEU A 62 15.686 -21.211 4.249 1.00 43.53 H new ATOM 0 HG LEU A 62 16.284 -19.643 2.509 1.00 1.35 H new ATOM 0 HD11 LEU A 62 18.592 -18.823 2.245 1.00 52.33 H new ATOM 0 HD12 LEU A 62 17.863 -18.261 3.768 1.00 52.33 H new ATOM 0 HD13 LEU A 62 19.039 -19.597 3.784 1.00 52.33 H new ATOM 0 HD21 LEU A 62 17.932 -20.991 1.269 1.00 22.04 H new ATOM 0 HD22 LEU A 62 18.353 -21.849 2.771 1.00 22.04 H new ATOM 0 HD23 LEU A 62 16.721 -22.012 2.080 1.00 22.04 H new ATOM 914 N GLU A 63 15.481 -20.620 7.403 1.00 72.52 N ATOM 915 CA GLU A 63 14.527 -21.134 8.379 1.00 70.54 C ATOM 916 C GLU A 63 13.575 -20.035 8.840 1.00 11.13 C ATOM 917 O GLU A 63 12.418 -20.298 9.172 1.00 61.23 O ATOM 918 CB GLU A 63 15.264 -21.725 9.583 1.00 73.13 C ATOM 919 CG GLU A 63 14.460 -22.773 10.334 1.00 60.32 C ATOM 920 CD GLU A 63 15.083 -23.141 11.667 1.00 74.35 C ATOM 921 OE1 GLU A 63 16.018 -22.436 12.099 1.00 40.53 O ATOM 922 OE2 GLU A 63 14.635 -24.134 12.277 1.00 62.40 O ATOM 0 H GLU A 63 16.457 -20.818 7.622 1.00 72.52 H new ATOM 0 HA GLU A 63 13.942 -21.919 7.899 1.00 70.54 H new ATOM 0 HB2 GLU A 63 16.199 -22.171 9.243 1.00 73.13 H new ATOM 0 HB3 GLU A 63 15.526 -20.920 10.269 1.00 73.13 H new ATOM 0 HG2 GLU A 63 13.449 -22.400 10.500 1.00 60.32 H new ATOM 0 HG3 GLU A 63 14.372 -23.668 9.719 1.00 60.32 H new ATOM 929 N LEU A 64 14.070 -18.802 8.860 1.00 33.20 N ATOM 930 CA LEU A 64 13.264 -17.661 9.281 1.00 23.25 C ATOM 931 C LEU A 64 11.923 -17.643 8.555 1.00 62.21 C ATOM 932 O LEU A 64 10.910 -17.219 9.112 1.00 62.01 O ATOM 933 CB LEU A 64 14.017 -16.356 9.019 1.00 40.32 C ATOM 934 CG LEU A 64 15.290 -16.139 9.837 1.00 1.35 C ATOM 935 CD1 LEU A 64 15.983 -14.852 9.416 1.00 61.22 C ATOM 936 CD2 LEU A 64 14.970 -16.111 11.325 1.00 74.22 C ATOM 0 H LEU A 64 15.025 -18.567 8.590 1.00 33.20 H new ATOM 0 HA LEU A 64 13.075 -17.756 10.350 1.00 23.25 H new ATOM 0 HB2 LEU A 64 14.278 -16.317 7.961 1.00 40.32 H new ATOM 0 HB3 LEU A 64 13.339 -15.524 9.211 1.00 40.32 H new ATOM 0 HG LEU A 64 15.967 -16.972 9.646 1.00 1.35 H new ATOM 0 HD11 LEU A 64 16.887 -14.715 10.009 1.00 61.22 H new ATOM 0 HD12 LEU A 64 16.247 -14.910 8.360 1.00 61.22 H new ATOM 0 HD13 LEU A 64 15.312 -14.008 9.577 1.00 61.22 H new ATOM 0 HD21 LEU A 64 15.888 -15.956 11.892 1.00 74.22 H new ATOM 0 HD22 LEU A 64 14.274 -15.298 11.532 1.00 74.22 H new ATOM 0 HD23 LEU A 64 14.519 -17.059 11.618 1.00 74.22 H new ATOM 948 N ILE A 65 11.924 -18.108 7.310 1.00 23.02 N ATOM 949 CA ILE A 65 10.707 -18.148 6.509 1.00 22.22 C ATOM 950 C ILE A 65 9.568 -18.813 7.274 1.00 54.10 C ATOM 951 O ILE A 65 8.417 -18.385 7.189 1.00 71.12 O ATOM 952 CB ILE A 65 10.930 -18.902 5.185 1.00 54.35 C ATOM 953 CG1 ILE A 65 12.029 -18.223 4.365 1.00 53.23 C ATOM 954 CG2 ILE A 65 9.634 -18.970 4.390 1.00 40.21 C ATOM 955 CD1 ILE A 65 12.567 -19.085 3.245 1.00 61.23 C ATOM 0 H ILE A 65 12.754 -18.462 6.834 1.00 23.02 H new ATOM 0 HA ILE A 65 10.439 -17.115 6.289 1.00 22.22 H new ATOM 0 HB ILE A 65 11.248 -19.919 5.412 1.00 54.35 H new ATOM 0 HG12 ILE A 65 11.637 -17.297 3.944 1.00 53.23 H new ATOM 0 HG13 ILE A 65 12.850 -17.949 5.028 1.00 53.23 H new ATOM 0 HG21 ILE A 65 9.807 -19.506 3.457 1.00 40.21 H new ATOM 0 HG22 ILE A 65 8.876 -19.493 4.973 1.00 40.21 H new ATOM 0 HG23 ILE A 65 9.289 -17.960 4.170 1.00 40.21 H new ATOM 0 HD11 ILE A 65 13.342 -18.540 2.706 1.00 61.23 H new ATOM 0 HD12 ILE A 65 12.989 -20.000 3.661 1.00 61.23 H new ATOM 0 HD13 ILE A 65 11.758 -19.337 2.559 1.00 61.23 H new ATOM 967 N ALA A 66 9.897 -19.861 8.023 1.00 55.44 N ATOM 968 CA ALA A 66 8.902 -20.582 8.806 1.00 75.20 C ATOM 969 C ALA A 66 8.312 -19.694 9.896 1.00 33.23 C ATOM 970 O ALA A 66 7.127 -19.791 10.215 1.00 1.23 O ATOM 971 CB ALA A 66 9.516 -21.833 9.416 1.00 22.14 C ATOM 0 H ALA A 66 10.845 -20.229 8.104 1.00 55.44 H new ATOM 0 HA ALA A 66 8.093 -20.877 8.137 1.00 75.20 H new ATOM 0 HB1 ALA A 66 8.761 -22.362 9.998 1.00 22.14 H new ATOM 0 HB2 ALA A 66 9.883 -22.483 8.621 1.00 22.14 H new ATOM 0 HB3 ALA A 66 10.345 -21.552 10.066 1.00 22.14 H new ATOM 977 N ALA A 67 9.146 -18.830 10.465 1.00 60.00 N ATOM 978 CA ALA A 67 8.706 -17.924 11.519 1.00 63.03 C ATOM 979 C ALA A 67 7.973 -16.720 10.937 1.00 21.11 C ATOM 980 O ALA A 67 7.038 -16.197 11.544 1.00 12.14 O ATOM 981 CB ALA A 67 9.894 -17.468 12.353 1.00 64.42 C ATOM 0 H ALA A 67 10.130 -18.738 10.214 1.00 60.00 H new ATOM 0 HA ALA A 67 8.011 -18.464 12.162 1.00 63.03 H new ATOM 0 HB1 ALA A 67 9.551 -16.792 13.136 1.00 64.42 H new ATOM 0 HB2 ALA A 67 10.374 -18.335 12.807 1.00 64.42 H new ATOM 0 HB3 ALA A 67 10.609 -16.950 11.714 1.00 64.42 H new ATOM 987 N LEU A 68 8.403 -16.284 9.758 1.00 22.51 N ATOM 988 CA LEU A 68 7.788 -15.141 9.094 1.00 14.31 C ATOM 989 C LEU A 68 6.447 -15.526 8.478 1.00 54.25 C ATOM 990 O LEU A 68 5.514 -14.723 8.444 1.00 0.23 O ATOM 991 CB LEU A 68 8.720 -14.591 8.013 1.00 31.10 C ATOM 992 CG LEU A 68 10.149 -14.275 8.456 1.00 13.12 C ATOM 993 CD1 LEU A 68 11.115 -14.430 7.292 1.00 2.33 C ATOM 994 CD2 LEU A 68 10.229 -12.870 9.035 1.00 10.13 C ATOM 0 H LEU A 68 9.176 -16.705 9.242 1.00 22.51 H new ATOM 0 HA LEU A 68 7.615 -14.368 9.842 1.00 14.31 H new ATOM 0 HB2 LEU A 68 8.765 -15.314 7.198 1.00 31.10 H new ATOM 0 HB3 LEU A 68 8.277 -13.681 7.608 1.00 31.10 H new ATOM 0 HG LEU A 68 10.433 -14.984 9.234 1.00 13.12 H new ATOM 0 HD11 LEU A 68 12.127 -14.201 7.626 1.00 2.33 H new ATOM 0 HD12 LEU A 68 11.078 -15.455 6.922 1.00 2.33 H new ATOM 0 HD13 LEU A 68 10.833 -13.745 6.492 1.00 2.33 H new ATOM 0 HD21 LEU A 68 11.253 -12.662 9.345 1.00 10.13 H new ATOM 0 HD22 LEU A 68 9.925 -12.147 8.278 1.00 10.13 H new ATOM 0 HD23 LEU A 68 9.566 -12.793 9.897 1.00 10.13 H new ATOM 1006 N ARG A 69 6.357 -16.760 7.992 1.00 11.23 N ATOM 1007 CA ARG A 69 5.130 -17.252 7.378 1.00 53.20 C ATOM 1008 C ARG A 69 4.009 -17.354 8.408 1.00 21.55 C ATOM 1009 O ARG A 69 2.908 -16.847 8.194 1.00 25.33 O ATOM 1010 CB ARG A 69 5.370 -18.618 6.732 1.00 54.41 C ATOM 1011 CG ARG A 69 4.112 -19.250 6.160 1.00 74.12 C ATOM 1012 CD ARG A 69 3.425 -20.145 7.179 1.00 21.54 C ATOM 1013 NE ARG A 69 2.588 -21.159 6.543 1.00 41.35 N ATOM 1014 CZ ARG A 69 1.777 -21.970 7.213 1.00 5.20 C ATOM 1015 NH1 ARG A 69 1.695 -21.886 8.534 1.00 73.54 N ATOM 1016 NH2 ARG A 69 1.047 -22.866 6.562 1.00 22.43 N ATOM 0 H ARG A 69 7.120 -17.437 8.012 1.00 11.23 H new ATOM 0 HA ARG A 69 4.829 -16.542 6.608 1.00 53.20 H new ATOM 0 HB2 ARG A 69 6.106 -18.510 5.936 1.00 54.41 H new ATOM 0 HB3 ARG A 69 5.800 -19.291 7.474 1.00 54.41 H new ATOM 0 HG2 ARG A 69 3.424 -18.468 5.839 1.00 74.12 H new ATOM 0 HG3 ARG A 69 4.367 -19.833 5.275 1.00 74.12 H new ATOM 0 HD2 ARG A 69 4.178 -20.633 7.798 1.00 21.54 H new ATOM 0 HD3 ARG A 69 2.813 -19.535 7.843 1.00 21.54 H new ATOM 0 HE ARG A 69 2.629 -21.249 5.528 1.00 41.35 H new ATOM 0 HH11 ARG A 69 2.255 -21.198 9.037 1.00 73.54 H new ATOM 0 HH12 ARG A 69 1.072 -22.510 9.047 1.00 73.54 H new ATOM 0 HH21 ARG A 69 1.108 -22.933 5.546 1.00 22.43 H new ATOM 0 HH22 ARG A 69 0.425 -23.488 7.077 1.00 22.43 H new ATOM 1030 N GLN A 70 4.298 -18.014 9.526 1.00 60.25 N ATOM 1031 CA GLN A 70 3.314 -18.184 10.588 1.00 30.10 C ATOM 1032 C GLN A 70 2.777 -16.835 11.053 1.00 12.34 C ATOM 1033 O GLN A 70 1.603 -16.710 11.406 1.00 3.14 O ATOM 1034 CB GLN A 70 3.932 -18.935 11.769 1.00 73.22 C ATOM 1035 CG GLN A 70 5.192 -18.282 12.313 1.00 60.31 C ATOM 1036 CD GLN A 70 5.808 -19.064 13.456 1.00 35.54 C ATOM 1037 OE1 GLN A 70 5.812 -18.612 14.602 1.00 61.14 O ATOM 1038 NE2 GLN A 70 6.331 -20.246 13.151 1.00 3.14 N ATOM 0 H GLN A 70 5.205 -18.439 9.719 1.00 60.25 H new ATOM 0 HA GLN A 70 2.484 -18.767 10.190 1.00 30.10 H new ATOM 0 HB2 GLN A 70 3.195 -19.006 12.569 1.00 73.22 H new ATOM 0 HB3 GLN A 70 4.165 -19.954 11.459 1.00 73.22 H new ATOM 0 HG2 GLN A 70 5.922 -18.185 11.509 1.00 60.31 H new ATOM 0 HG3 GLN A 70 4.956 -17.274 12.653 1.00 60.31 H new ATOM 0 HE21 GLN A 70 6.306 -20.582 12.188 1.00 3.14 H new ATOM 0 HE22 GLN A 70 6.758 -20.818 13.880 1.00 3.14 H new ATOM 1047 N LEU A 71 3.642 -15.827 11.052 1.00 3.11 N ATOM 1048 CA LEU A 71 3.255 -14.485 11.475 1.00 60.34 C ATOM 1049 C LEU A 71 2.334 -13.835 10.447 1.00 31.51 C ATOM 1050 O LEU A 71 2.375 -14.169 9.263 1.00 43.21 O ATOM 1051 CB LEU A 71 4.497 -13.617 11.685 1.00 72.15 C ATOM 1052 CG LEU A 71 4.928 -13.402 13.136 1.00 52.12 C ATOM 1053 CD1 LEU A 71 3.899 -12.565 13.880 1.00 75.32 C ATOM 1054 CD2 LEU A 71 5.137 -14.738 13.834 1.00 42.14 C ATOM 0 H LEU A 71 4.616 -15.913 10.763 1.00 3.11 H new ATOM 0 HA LEU A 71 2.715 -14.569 12.418 1.00 60.34 H new ATOM 0 HB2 LEU A 71 5.328 -14.070 11.144 1.00 72.15 H new ATOM 0 HB3 LEU A 71 4.315 -12.642 11.233 1.00 72.15 H new ATOM 0 HG LEU A 71 5.875 -12.862 13.137 1.00 52.12 H new ATOM 0 HD11 LEU A 71 4.223 -12.422 14.911 1.00 75.32 H new ATOM 0 HD12 LEU A 71 3.799 -11.595 13.394 1.00 75.32 H new ATOM 0 HD13 LEU A 71 2.937 -13.077 13.869 1.00 75.32 H new ATOM 0 HD21 LEU A 71 5.443 -14.565 14.866 1.00 42.14 H new ATOM 0 HD22 LEU A 71 4.206 -15.304 13.822 1.00 42.14 H new ATOM 0 HD23 LEU A 71 5.912 -15.302 13.315 1.00 42.14 H new ATOM 1066 N SER A 72 1.505 -12.905 10.908 1.00 14.33 N ATOM 1067 CA SER A 72 0.572 -12.209 10.030 1.00 40.44 C ATOM 1068 C SER A 72 1.157 -10.881 9.559 1.00 43.32 C ATOM 1069 O SER A 72 0.435 -9.900 9.379 1.00 23.44 O ATOM 1070 CB SER A 72 -0.756 -11.967 10.749 1.00 11.14 C ATOM 1071 OG SER A 72 -1.033 -13.006 11.672 1.00 62.41 O ATOM 0 H SER A 72 1.460 -12.616 11.885 1.00 14.33 H new ATOM 0 HA SER A 72 0.395 -12.839 9.158 1.00 40.44 H new ATOM 0 HB2 SER A 72 -0.721 -11.011 11.272 1.00 11.14 H new ATOM 0 HB3 SER A 72 -1.562 -11.901 10.018 1.00 11.14 H new ATOM 0 HG SER A 72 -1.886 -12.827 12.120 1.00 62.41 H new ATOM 1077 N ALA A 73 2.471 -10.857 9.361 1.00 63.53 N ATOM 1078 CA ALA A 73 3.155 -9.652 8.909 1.00 14.21 C ATOM 1079 C ALA A 73 3.899 -9.900 7.601 1.00 12.34 C ATOM 1080 O ALA A 73 4.029 -9.001 6.770 1.00 75.24 O ATOM 1081 CB ALA A 73 4.116 -9.157 9.980 1.00 73.21 C ATOM 0 H ALA A 73 3.083 -11.659 9.507 1.00 63.53 H new ATOM 0 HA ALA A 73 2.403 -8.884 8.728 1.00 14.21 H new ATOM 0 HB1 ALA A 73 4.620 -8.257 9.629 1.00 73.21 H new ATOM 0 HB2 ALA A 73 3.561 -8.931 10.890 1.00 73.21 H new ATOM 0 HB3 ALA A 73 4.857 -9.929 10.189 1.00 73.21 H new ATOM 1087 N TYR A 74 4.386 -11.123 7.426 1.00 3.15 N ATOM 1088 CA TYR A 74 5.121 -11.488 6.221 1.00 54.11 C ATOM 1089 C TYR A 74 4.322 -12.473 5.374 1.00 74.53 C ATOM 1090 O TYR A 74 4.509 -12.561 4.161 1.00 42.14 O ATOM 1091 CB TYR A 74 6.476 -12.095 6.588 1.00 74.20 C ATOM 1092 CG TYR A 74 7.229 -11.306 7.635 1.00 63.23 C ATOM 1093 CD1 TYR A 74 6.917 -11.427 8.983 1.00 55.20 C ATOM 1094 CD2 TYR A 74 8.255 -10.441 7.275 1.00 1.41 C ATOM 1095 CE1 TYR A 74 7.602 -10.707 9.942 1.00 30.24 C ATOM 1096 CE2 TYR A 74 8.947 -9.718 8.228 1.00 70.11 C ATOM 1097 CZ TYR A 74 8.616 -9.854 9.560 1.00 24.40 C ATOM 1098 OH TYR A 74 9.303 -9.137 10.513 1.00 54.11 O ATOM 0 H TYR A 74 4.285 -11.879 8.104 1.00 3.15 H new ATOM 0 HA TYR A 74 5.283 -10.582 5.637 1.00 54.11 H new ATOM 0 HB2 TYR A 74 6.323 -13.111 6.951 1.00 74.20 H new ATOM 0 HB3 TYR A 74 7.088 -12.167 5.689 1.00 74.20 H new ATOM 0 HD1 TYR A 74 6.125 -12.096 9.286 1.00 55.20 H new ATOM 0 HD2 TYR A 74 8.516 -10.332 6.233 1.00 1.41 H new ATOM 0 HE1 TYR A 74 7.345 -10.811 10.986 1.00 30.24 H new ATOM 0 HE2 TYR A 74 9.742 -9.050 7.931 1.00 70.11 H new ATOM 0 HH TYR A 74 10.075 -8.697 10.098 1.00 54.11 H new ATOM 1108 N ALA A 75 3.429 -13.214 6.023 1.00 51.40 N ATOM 1109 CA ALA A 75 2.599 -14.191 5.331 1.00 74.34 C ATOM 1110 C ALA A 75 1.965 -13.587 4.082 1.00 33.21 C ATOM 1111 O ALA A 75 1.803 -14.265 3.067 1.00 54.41 O ATOM 1112 CB ALA A 75 1.523 -14.726 6.265 1.00 64.54 C ATOM 0 H ALA A 75 3.262 -13.156 7.028 1.00 51.40 H new ATOM 0 HA ALA A 75 3.238 -15.017 5.019 1.00 74.34 H new ATOM 0 HB1 ALA A 75 0.910 -15.455 5.735 1.00 64.54 H new ATOM 0 HB2 ALA A 75 1.992 -15.204 7.125 1.00 64.54 H new ATOM 0 HB3 ALA A 75 0.895 -13.903 6.605 1.00 64.54 H new ATOM 1118 N ASP A 76 1.607 -12.310 4.164 1.00 24.45 N ATOM 1119 CA ASP A 76 0.991 -11.615 3.041 1.00 41.14 C ATOM 1120 C ASP A 76 2.048 -11.146 2.046 1.00 64.01 C ATOM 1121 O ASP A 76 1.819 -11.140 0.836 1.00 65.12 O ATOM 1122 CB ASP A 76 0.175 -10.420 3.538 1.00 64.42 C ATOM 1123 CG ASP A 76 -1.204 -10.822 4.022 1.00 62.51 C ATOM 1124 OD1 ASP A 76 -1.597 -10.383 5.122 1.00 15.32 O ATOM 1125 OD2 ASP A 76 -1.889 -11.578 3.301 1.00 54.42 O ATOM 0 H ASP A 76 1.733 -11.735 4.997 1.00 24.45 H new ATOM 0 HA ASP A 76 0.326 -12.314 2.534 1.00 41.14 H new ATOM 0 HB2 ASP A 76 0.713 -9.929 4.349 1.00 64.42 H new ATOM 0 HB3 ASP A 76 0.076 -9.691 2.733 1.00 64.42 H new ATOM 1130 N THR A 77 3.208 -10.752 2.564 1.00 53.11 N ATOM 1131 CA THR A 77 4.300 -10.279 1.722 1.00 35.12 C ATOM 1132 C THR A 77 4.623 -11.286 0.624 1.00 1.13 C ATOM 1133 O THR A 77 4.877 -12.462 0.883 1.00 64.41 O ATOM 1134 CB THR A 77 5.571 -10.012 2.549 1.00 23.02 C ATOM 1135 OG1 THR A 77 5.319 -8.989 3.519 1.00 43.33 O ATOM 1136 CG2 THR A 77 6.724 -9.592 1.649 1.00 32.43 C ATOM 0 H THR A 77 3.415 -10.751 3.563 1.00 53.11 H new ATOM 0 HA THR A 77 3.968 -9.345 1.268 1.00 35.12 H new ATOM 0 HB THR A 77 5.846 -10.935 3.059 1.00 23.02 H new ATOM 0 HG1 THR A 77 6.132 -8.827 4.042 1.00 43.33 H new ATOM 0 HG21 THR A 77 7.611 -9.409 2.256 1.00 32.43 H new ATOM 0 HG22 THR A 77 6.933 -10.385 0.931 1.00 32.43 H new ATOM 0 HG23 THR A 77 6.455 -8.681 1.115 1.00 32.43 H new ATOM 1144 N PRO A 78 4.615 -10.816 -0.632 1.00 11.21 N ATOM 1145 CA PRO A 78 4.907 -11.659 -1.795 1.00 20.33 C ATOM 1146 C PRO A 78 6.373 -12.075 -1.856 1.00 32.14 C ATOM 1147 O PRO A 78 7.240 -11.275 -2.207 1.00 64.23 O ATOM 1148 CB PRO A 78 4.557 -10.760 -2.982 1.00 54.35 C ATOM 1149 CG PRO A 78 4.711 -9.371 -2.465 1.00 23.42 C ATOM 1150 CD PRO A 78 4.320 -9.424 -1.014 1.00 24.52 C ATOM 0 HA PRO A 78 4.347 -12.594 -1.771 1.00 20.33 H new ATOM 0 HB2 PRO A 78 5.221 -10.944 -3.827 1.00 54.35 H new ATOM 0 HB3 PRO A 78 3.540 -10.942 -3.330 1.00 54.35 H new ATOM 0 HG2 PRO A 78 5.738 -9.023 -2.580 1.00 23.42 H new ATOM 0 HG3 PRO A 78 4.076 -8.677 -3.015 1.00 23.42 H new ATOM 0 HD2 PRO A 78 4.892 -8.714 -0.417 1.00 24.52 H new ATOM 0 HD3 PRO A 78 3.266 -9.183 -0.873 1.00 24.52 H new ATOM 1158 N ILE A 79 6.642 -13.330 -1.512 1.00 32.04 N ATOM 1159 CA ILE A 79 8.003 -13.851 -1.529 1.00 71.42 C ATOM 1160 C ILE A 79 8.262 -14.671 -2.789 1.00 54.51 C ATOM 1161 O ILE A 79 7.461 -15.531 -3.159 1.00 24.02 O ATOM 1162 CB ILE A 79 8.286 -14.727 -0.294 1.00 44.21 C ATOM 1163 CG1 ILE A 79 8.163 -13.897 0.985 1.00 2.14 C ATOM 1164 CG2 ILE A 79 9.669 -15.353 -0.395 1.00 3.22 C ATOM 1165 CD1 ILE A 79 9.191 -12.792 1.091 1.00 62.35 C ATOM 0 H ILE A 79 5.936 -14.005 -1.218 1.00 32.04 H new ATOM 0 HA ILE A 79 8.671 -12.990 -1.515 1.00 71.42 H new ATOM 0 HB ILE A 79 7.548 -15.528 -0.257 1.00 44.21 H new ATOM 0 HG12 ILE A 79 7.166 -13.460 1.030 1.00 2.14 H new ATOM 0 HG13 ILE A 79 8.261 -14.557 1.847 1.00 2.14 H new ATOM 0 HG21 ILE A 79 9.855 -15.969 0.485 1.00 3.22 H new ATOM 0 HG22 ILE A 79 9.723 -15.973 -1.290 1.00 3.22 H new ATOM 0 HG23 ILE A 79 10.421 -14.566 -0.452 1.00 3.22 H new ATOM 0 HD11 ILE A 79 9.043 -12.246 2.023 1.00 62.35 H new ATOM 0 HD12 ILE A 79 10.192 -13.224 1.078 1.00 62.35 H new ATOM 0 HD13 ILE A 79 9.080 -12.109 0.248 1.00 62.35 H new ATOM 1177 N LEU A 80 9.385 -14.399 -3.444 1.00 52.12 N ATOM 1178 CA LEU A 80 9.751 -15.112 -4.663 1.00 23.11 C ATOM 1179 C LEU A 80 11.121 -15.767 -4.519 1.00 62.43 C ATOM 1180 O LEU A 80 12.120 -15.094 -4.265 1.00 52.32 O ATOM 1181 CB LEU A 80 9.754 -14.155 -5.856 1.00 74.13 C ATOM 1182 CG LEU A 80 8.441 -13.421 -6.131 1.00 34.24 C ATOM 1183 CD1 LEU A 80 7.259 -14.367 -5.979 1.00 50.53 C ATOM 1184 CD2 LEU A 80 8.293 -12.227 -5.200 1.00 12.44 C ATOM 0 H LEU A 80 10.058 -13.690 -3.152 1.00 52.12 H new ATOM 0 HA LEU A 80 9.010 -15.893 -4.834 1.00 23.11 H new ATOM 0 HB2 LEU A 80 10.536 -13.412 -5.698 1.00 74.13 H new ATOM 0 HB3 LEU A 80 10.025 -14.719 -6.748 1.00 74.13 H new ATOM 0 HG LEU A 80 8.459 -13.056 -7.158 1.00 34.24 H new ATOM 0 HD11 LEU A 80 6.333 -13.827 -6.178 1.00 50.53 H new ATOM 0 HD12 LEU A 80 7.359 -15.190 -6.686 1.00 50.53 H new ATOM 0 HD13 LEU A 80 7.237 -14.762 -4.963 1.00 50.53 H new ATOM 0 HD21 LEU A 80 7.353 -11.716 -5.410 1.00 12.44 H new ATOM 0 HD22 LEU A 80 8.297 -12.570 -4.165 1.00 12.44 H new ATOM 0 HD23 LEU A 80 9.123 -11.538 -5.357 1.00 12.44 H new ATOM 1196 N VAL A 81 11.161 -17.086 -4.686 1.00 5.41 N ATOM 1197 CA VAL A 81 12.409 -17.832 -4.578 1.00 63.03 C ATOM 1198 C VAL A 81 12.929 -18.236 -5.954 1.00 13.54 C ATOM 1199 O VAL A 81 12.159 -18.640 -6.826 1.00 52.52 O ATOM 1200 CB VAL A 81 12.234 -19.097 -3.716 1.00 43.54 C ATOM 1201 CG1 VAL A 81 11.121 -19.972 -4.272 1.00 1.31 C ATOM 1202 CG2 VAL A 81 13.542 -19.870 -3.635 1.00 35.22 C ATOM 0 H VAL A 81 10.344 -17.659 -4.896 1.00 5.41 H new ATOM 0 HA VAL A 81 13.132 -17.172 -4.099 1.00 63.03 H new ATOM 0 HB VAL A 81 11.954 -18.793 -2.707 1.00 43.54 H new ATOM 0 HG11 VAL A 81 11.012 -20.861 -3.650 1.00 1.31 H new ATOM 0 HG12 VAL A 81 10.185 -19.413 -4.274 1.00 1.31 H new ATOM 0 HG13 VAL A 81 11.367 -20.270 -5.291 1.00 1.31 H new ATOM 0 HG21 VAL A 81 13.401 -20.761 -3.023 1.00 35.22 H new ATOM 0 HG22 VAL A 81 13.853 -20.164 -4.637 1.00 35.22 H new ATOM 0 HG23 VAL A 81 14.310 -19.240 -3.187 1.00 35.22 H new ATOM 1212 N LEU A 82 14.239 -18.124 -6.141 1.00 21.10 N ATOM 1213 CA LEU A 82 14.863 -18.478 -7.411 1.00 62.12 C ATOM 1214 C LEU A 82 15.146 -19.975 -7.480 1.00 64.32 C ATOM 1215 O LEU A 82 15.604 -20.578 -6.508 1.00 50.43 O ATOM 1216 CB LEU A 82 16.162 -17.692 -7.600 1.00 60.52 C ATOM 1217 CG LEU A 82 16.007 -16.197 -7.880 1.00 24.13 C ATOM 1218 CD1 LEU A 82 15.971 -15.412 -6.578 1.00 2.30 C ATOM 1219 CD2 LEU A 82 17.136 -15.702 -8.772 1.00 40.13 C ATOM 0 H LEU A 82 14.890 -17.791 -5.430 1.00 21.10 H new ATOM 0 HA LEU A 82 14.170 -18.221 -8.212 1.00 62.12 H new ATOM 0 HB2 LEU A 82 16.770 -17.812 -6.703 1.00 60.52 H new ATOM 0 HB3 LEU A 82 16.718 -18.140 -8.424 1.00 60.52 H new ATOM 0 HG LEU A 82 15.063 -16.040 -8.402 1.00 24.13 H new ATOM 0 HD11 LEU A 82 15.860 -14.350 -6.796 1.00 2.30 H new ATOM 0 HD12 LEU A 82 15.128 -15.748 -5.974 1.00 2.30 H new ATOM 0 HD13 LEU A 82 16.899 -15.575 -6.029 1.00 2.30 H new ATOM 0 HD21 LEU A 82 17.010 -14.636 -8.961 1.00 40.13 H new ATOM 0 HD22 LEU A 82 18.092 -15.872 -8.277 1.00 40.13 H new ATOM 0 HD23 LEU A 82 17.116 -16.243 -9.718 1.00 40.13 H new ATOM 1231 N THR A 83 14.873 -20.571 -8.637 1.00 24.43 N ATOM 1232 CA THR A 83 15.100 -21.998 -8.834 1.00 14.35 C ATOM 1233 C THR A 83 15.982 -22.252 -10.051 1.00 13.35 C ATOM 1234 O THR A 83 16.166 -21.372 -10.892 1.00 52.41 O ATOM 1235 CB THR A 83 13.772 -22.758 -9.009 1.00 35.25 C ATOM 1236 OG1 THR A 83 14.028 -24.152 -9.214 1.00 5.22 O ATOM 1237 CG2 THR A 83 12.982 -22.204 -10.185 1.00 33.32 C ATOM 0 H THR A 83 14.495 -20.088 -9.452 1.00 24.43 H new ATOM 0 HA THR A 83 15.605 -22.364 -7.940 1.00 14.35 H new ATOM 0 HB THR A 83 13.182 -22.627 -8.102 1.00 35.25 H new ATOM 0 HG1 THR A 83 13.815 -24.648 -8.396 1.00 5.22 H new ATOM 0 HG21 THR A 83 12.048 -22.757 -10.289 1.00 33.32 H new ATOM 0 HG22 THR A 83 12.763 -21.150 -10.012 1.00 33.32 H new ATOM 0 HG23 THR A 83 13.568 -22.308 -11.098 1.00 33.32 H new ATOM 1245 N THR A 84 16.526 -23.462 -10.139 1.00 53.54 N ATOM 1246 CA THR A 84 17.389 -23.831 -11.254 1.00 21.33 C ATOM 1247 C THR A 84 16.809 -25.007 -12.032 1.00 25.02 C ATOM 1248 O THR A 84 16.949 -25.084 -13.252 1.00 20.21 O ATOM 1249 CB THR A 84 18.805 -24.199 -10.770 1.00 14.53 C ATOM 1250 OG1 THR A 84 19.640 -24.511 -11.890 1.00 74.42 O ATOM 1251 CG2 THR A 84 18.760 -25.384 -9.817 1.00 43.22 C ATOM 0 H THR A 84 16.384 -24.202 -9.452 1.00 53.54 H new ATOM 0 HA THR A 84 17.451 -22.961 -11.908 1.00 21.33 H new ATOM 0 HB THR A 84 19.218 -23.342 -10.238 1.00 14.53 H new ATOM 0 HG1 THR A 84 20.538 -24.742 -11.574 1.00 74.42 H new ATOM 0 HG21 THR A 84 19.771 -25.625 -9.489 1.00 43.22 H new ATOM 0 HG22 THR A 84 18.148 -25.132 -8.951 1.00 43.22 H new ATOM 0 HG23 THR A 84 18.329 -26.245 -10.327 1.00 43.22 H new ATOM 1259 N GLU A 85 16.158 -25.920 -11.318 1.00 3.03 N ATOM 1260 CA GLU A 85 15.558 -27.092 -11.943 1.00 73.23 C ATOM 1261 C GLU A 85 14.307 -26.709 -12.729 1.00 50.21 C ATOM 1262 O GLU A 85 14.302 -26.732 -13.959 1.00 72.41 O ATOM 1263 CB GLU A 85 15.207 -28.140 -10.884 1.00 51.54 C ATOM 1264 CG GLU A 85 16.393 -28.571 -10.039 1.00 22.12 C ATOM 1265 CD GLU A 85 16.095 -29.797 -9.197 1.00 53.33 C ATOM 1266 OE1 GLU A 85 16.316 -29.742 -7.970 1.00 31.54 O ATOM 1267 OE2 GLU A 85 15.639 -30.810 -9.767 1.00 63.44 O ATOM 0 H GLU A 85 16.033 -25.870 -10.307 1.00 3.03 H new ATOM 0 HA GLU A 85 16.286 -27.515 -12.635 1.00 73.23 H new ATOM 0 HB2 GLU A 85 14.433 -27.739 -10.230 1.00 51.54 H new ATOM 0 HB3 GLU A 85 14.785 -29.016 -11.377 1.00 51.54 H new ATOM 0 HG2 GLU A 85 17.242 -28.780 -10.690 1.00 22.12 H new ATOM 0 HG3 GLU A 85 16.687 -27.749 -9.386 1.00 22.12 H new ATOM 1274 N GLY A 86 13.247 -26.356 -12.008 1.00 50.10 N ATOM 1275 CA GLY A 86 12.005 -25.973 -12.653 1.00 72.14 C ATOM 1276 C GLY A 86 10.990 -27.099 -12.672 1.00 22.11 C ATOM 1277 O GLY A 86 10.207 -27.223 -13.614 1.00 1.34 O ATOM 0 H GLY A 86 13.227 -26.329 -10.989 1.00 50.10 H new ATOM 0 HA2 GLY A 86 11.580 -25.114 -12.134 1.00 72.14 H new ATOM 0 HA3 GLY A 86 12.212 -25.658 -13.676 1.00 72.14 H new ATOM 1281 N SER A 87 11.004 -27.924 -11.630 1.00 5.24 N ATOM 1282 CA SER A 87 10.082 -29.049 -11.532 1.00 41.03 C ATOM 1283 C SER A 87 9.040 -28.805 -10.445 1.00 2.11 C ATOM 1284 O SER A 87 9.012 -27.742 -9.824 1.00 21.21 O ATOM 1285 CB SER A 87 10.849 -30.340 -11.240 1.00 35.24 C ATOM 1286 OG SER A 87 10.148 -31.471 -11.729 1.00 3.04 O ATOM 0 H SER A 87 11.644 -27.834 -10.841 1.00 5.24 H new ATOM 0 HA SER A 87 9.567 -29.149 -12.487 1.00 41.03 H new ATOM 0 HB2 SER A 87 11.836 -30.293 -11.701 1.00 35.24 H new ATOM 0 HB3 SER A 87 11.003 -30.440 -10.166 1.00 35.24 H new ATOM 0 HG SER A 87 10.659 -32.283 -11.532 1.00 3.04 H new ATOM 1292 N ASP A 88 8.185 -29.797 -10.221 1.00 2.45 N ATOM 1293 CA ASP A 88 7.141 -29.692 -9.208 1.00 3.34 C ATOM 1294 C ASP A 88 7.706 -29.956 -7.816 1.00 23.25 C ATOM 1295 O ASP A 88 7.314 -29.312 -6.843 1.00 44.22 O ATOM 1296 CB ASP A 88 6.009 -30.676 -9.508 1.00 3.54 C ATOM 1297 CG ASP A 88 4.730 -30.327 -8.773 1.00 55.25 C ATOM 1298 OD1 ASP A 88 4.073 -31.253 -8.254 1.00 74.04 O ATOM 1299 OD2 ASP A 88 4.384 -29.128 -8.719 1.00 3.42 O ATOM 0 H ASP A 88 8.194 -30.683 -10.727 1.00 2.45 H new ATOM 0 HA ASP A 88 6.745 -28.677 -9.233 1.00 3.34 H new ATOM 0 HB2 ASP A 88 5.817 -30.688 -10.581 1.00 3.54 H new ATOM 0 HB3 ASP A 88 6.322 -31.682 -9.229 1.00 3.54 H new ATOM 1304 N ALA A 89 8.629 -30.909 -7.728 1.00 74.10 N ATOM 1305 CA ALA A 89 9.248 -31.258 -6.456 1.00 30.24 C ATOM 1306 C ALA A 89 9.840 -30.028 -5.778 1.00 5.55 C ATOM 1307 O ALA A 89 9.612 -29.789 -4.591 1.00 73.34 O ATOM 1308 CB ALA A 89 10.321 -32.317 -6.664 1.00 1.52 C ATOM 0 H ALA A 89 8.964 -31.453 -8.523 1.00 74.10 H new ATOM 0 HA ALA A 89 8.475 -31.663 -5.803 1.00 30.24 H new ATOM 0 HB1 ALA A 89 10.775 -32.568 -5.705 1.00 1.52 H new ATOM 0 HB2 ALA A 89 9.871 -33.210 -7.098 1.00 1.52 H new ATOM 0 HB3 ALA A 89 11.086 -31.932 -7.338 1.00 1.52 H new ATOM 1314 N PHE A 90 10.603 -29.249 -6.537 1.00 44.23 N ATOM 1315 CA PHE A 90 11.230 -28.043 -6.009 1.00 5.11 C ATOM 1316 C PHE A 90 10.201 -27.151 -5.321 1.00 72.22 C ATOM 1317 O PHE A 90 10.458 -26.596 -4.253 1.00 33.25 O ATOM 1318 CB PHE A 90 11.923 -27.269 -7.132 1.00 43.41 C ATOM 1319 CG PHE A 90 13.118 -26.483 -6.671 1.00 35.24 C ATOM 1320 CD1 PHE A 90 12.959 -25.246 -6.067 1.00 73.13 C ATOM 1321 CD2 PHE A 90 14.399 -26.982 -6.841 1.00 1.14 C ATOM 1322 CE1 PHE A 90 14.055 -24.521 -5.641 1.00 45.21 C ATOM 1323 CE2 PHE A 90 15.499 -26.261 -6.416 1.00 65.51 C ATOM 1324 CZ PHE A 90 15.328 -25.029 -5.817 1.00 14.12 C ATOM 0 H PHE A 90 10.802 -29.431 -7.521 1.00 44.23 H new ATOM 0 HA PHE A 90 11.974 -28.344 -5.272 1.00 5.11 H new ATOM 0 HB2 PHE A 90 12.236 -27.970 -7.906 1.00 43.41 H new ATOM 0 HB3 PHE A 90 11.205 -26.588 -7.590 1.00 43.41 H new ATOM 0 HD1 PHE A 90 11.966 -24.844 -5.928 1.00 73.13 H new ATOM 0 HD2 PHE A 90 14.540 -27.944 -7.310 1.00 1.14 H new ATOM 0 HE1 PHE A 90 13.917 -23.558 -5.171 1.00 45.21 H new ATOM 0 HE2 PHE A 90 16.493 -26.662 -6.553 1.00 65.51 H new ATOM 0 HZ PHE A 90 16.187 -24.464 -5.487 1.00 14.12 H new ATOM 1334 N LYS A 91 9.034 -27.018 -5.942 1.00 51.43 N ATOM 1335 CA LYS A 91 7.963 -26.195 -5.392 1.00 5.50 C ATOM 1336 C LYS A 91 7.616 -26.632 -3.973 1.00 11.24 C ATOM 1337 O LYS A 91 7.297 -25.805 -3.119 1.00 2.31 O ATOM 1338 CB LYS A 91 6.721 -26.277 -6.281 1.00 54.31 C ATOM 1339 CG LYS A 91 7.011 -26.053 -7.755 1.00 2.40 C ATOM 1340 CD LYS A 91 5.808 -25.473 -8.479 1.00 14.22 C ATOM 1341 CE LYS A 91 5.766 -25.914 -9.934 1.00 24.22 C ATOM 1342 NZ LYS A 91 5.142 -24.884 -10.809 1.00 14.44 N ATOM 0 H LYS A 91 8.806 -27.470 -6.827 1.00 51.43 H new ATOM 0 HA LYS A 91 8.311 -25.163 -5.360 1.00 5.50 H new ATOM 0 HB2 LYS A 91 6.259 -27.256 -6.155 1.00 54.31 H new ATOM 0 HB3 LYS A 91 5.995 -25.536 -5.946 1.00 54.31 H new ATOM 0 HG2 LYS A 91 7.860 -25.378 -7.861 1.00 2.40 H new ATOM 0 HG3 LYS A 91 7.295 -26.998 -8.218 1.00 2.40 H new ATOM 0 HD2 LYS A 91 4.893 -25.787 -7.976 1.00 14.22 H new ATOM 0 HD3 LYS A 91 5.842 -24.385 -8.429 1.00 14.22 H new ATOM 0 HE2 LYS A 91 6.779 -26.119 -10.280 1.00 24.22 H new ATOM 0 HE3 LYS A 91 5.207 -26.846 -10.015 1.00 24.22 H new ATOM 0 HZ1 LYS A 91 4.718 -25.345 -11.640 1.00 14.44 H new ATOM 0 HZ2 LYS A 91 4.403 -24.379 -10.279 1.00 14.44 H new ATOM 0 HZ3 LYS A 91 5.868 -24.207 -11.121 1.00 14.44 H new ATOM 1356 N ALA A 92 7.681 -27.936 -3.727 1.00 71.34 N ATOM 1357 CA ALA A 92 7.376 -28.482 -2.411 1.00 25.33 C ATOM 1358 C ALA A 92 8.250 -27.844 -1.336 1.00 51.52 C ATOM 1359 O ALA A 92 7.788 -27.571 -0.229 1.00 21.14 O ATOM 1360 CB ALA A 92 7.557 -29.993 -2.411 1.00 60.01 C ATOM 0 H ALA A 92 7.942 -28.634 -4.423 1.00 71.34 H new ATOM 0 HA ALA A 92 6.336 -28.251 -2.182 1.00 25.33 H new ATOM 0 HB1 ALA A 92 7.326 -30.387 -1.421 1.00 60.01 H new ATOM 0 HB2 ALA A 92 6.887 -30.440 -3.145 1.00 60.01 H new ATOM 0 HB3 ALA A 92 8.588 -30.236 -2.666 1.00 60.01 H new ATOM 1366 N ALA A 93 9.514 -27.608 -1.671 1.00 3.11 N ATOM 1367 CA ALA A 93 10.452 -27.000 -0.735 1.00 13.03 C ATOM 1368 C ALA A 93 10.037 -25.573 -0.392 1.00 25.13 C ATOM 1369 O ALA A 93 9.765 -25.257 0.766 1.00 71.21 O ATOM 1370 CB ALA A 93 11.860 -27.019 -1.311 1.00 11.22 C ATOM 0 H ALA A 93 9.912 -27.829 -2.584 1.00 3.11 H new ATOM 0 HA ALA A 93 10.440 -27.585 0.185 1.00 13.03 H new ATOM 0 HB1 ALA A 93 12.550 -26.562 -0.601 1.00 11.22 H new ATOM 0 HB2 ALA A 93 12.162 -28.049 -1.499 1.00 11.22 H new ATOM 0 HB3 ALA A 93 11.878 -26.459 -2.246 1.00 11.22 H new ATOM 1376 N ALA A 94 9.993 -24.715 -1.406 1.00 1.25 N ATOM 1377 CA ALA A 94 9.611 -23.322 -1.211 1.00 11.21 C ATOM 1378 C ALA A 94 8.279 -23.216 -0.477 1.00 13.55 C ATOM 1379 O ALA A 94 8.131 -22.417 0.449 1.00 42.13 O ATOM 1380 CB ALA A 94 9.537 -22.603 -2.550 1.00 15.12 C ATOM 0 H ALA A 94 10.217 -24.960 -2.370 1.00 1.25 H new ATOM 0 HA ALA A 94 10.374 -22.844 -0.596 1.00 11.21 H new ATOM 0 HB1 ALA A 94 9.251 -21.564 -2.390 1.00 15.12 H new ATOM 0 HB2 ALA A 94 10.511 -22.640 -3.037 1.00 15.12 H new ATOM 0 HB3 ALA A 94 8.796 -23.090 -3.184 1.00 15.12 H new ATOM 1386 N ARG A 95 7.311 -24.025 -0.895 1.00 43.13 N ATOM 1387 CA ARG A 95 5.990 -24.020 -0.278 1.00 44.11 C ATOM 1388 C ARG A 95 6.059 -24.534 1.157 1.00 10.10 C ATOM 1389 O ARG A 95 5.335 -24.059 2.032 1.00 35.51 O ATOM 1390 CB ARG A 95 5.020 -24.878 -1.093 1.00 3.35 C ATOM 1391 CG ARG A 95 4.565 -24.222 -2.386 1.00 5.51 C ATOM 1392 CD ARG A 95 3.344 -24.918 -2.964 1.00 73.13 C ATOM 1393 NE ARG A 95 3.615 -26.315 -3.293 1.00 35.12 N ATOM 1394 CZ ARG A 95 2.670 -27.189 -3.621 1.00 72.25 C ATOM 1395 NH1 ARG A 95 1.399 -26.812 -3.666 1.00 25.24 N ATOM 1396 NH2 ARG A 95 2.995 -28.443 -3.907 1.00 62.54 N ATOM 0 H ARG A 95 7.417 -24.693 -1.659 1.00 43.13 H new ATOM 0 HA ARG A 95 5.628 -22.992 -0.260 1.00 44.11 H new ATOM 0 HB2 ARG A 95 5.498 -25.829 -1.327 1.00 3.35 H new ATOM 0 HB3 ARG A 95 4.146 -25.102 -0.482 1.00 3.35 H new ATOM 0 HG2 ARG A 95 4.334 -23.173 -2.201 1.00 5.51 H new ATOM 0 HG3 ARG A 95 5.377 -24.246 -3.113 1.00 5.51 H new ATOM 0 HD2 ARG A 95 2.524 -24.867 -2.247 1.00 73.13 H new ATOM 0 HD3 ARG A 95 3.017 -24.391 -3.860 1.00 73.13 H new ATOM 0 HE ARG A 95 4.583 -26.637 -3.270 1.00 35.12 H new ATOM 0 HH11 ARG A 95 1.145 -25.848 -3.448 1.00 25.24 H new ATOM 0 HH12 ARG A 95 0.676 -27.486 -3.918 1.00 25.24 H new ATOM 0 HH21 ARG A 95 3.971 -28.737 -3.875 1.00 62.54 H new ATOM 0 HH22 ARG A 95 2.269 -29.113 -4.159 1.00 62.54 H new ATOM 1410 N ASP A 96 6.934 -25.506 1.390 1.00 34.15 N ATOM 1411 CA ASP A 96 7.097 -26.084 2.719 1.00 24.41 C ATOM 1412 C ASP A 96 7.547 -25.026 3.721 1.00 42.50 C ATOM 1413 O ASP A 96 7.068 -24.986 4.854 1.00 44.21 O ATOM 1414 CB ASP A 96 8.111 -27.229 2.679 1.00 72.30 C ATOM 1415 CG ASP A 96 7.462 -28.566 2.376 1.00 4.12 C ATOM 1416 OD1 ASP A 96 8.125 -29.417 1.747 1.00 31.25 O ATOM 1417 OD2 ASP A 96 6.292 -28.760 2.767 1.00 22.22 O ATOM 0 H ASP A 96 7.541 -25.910 0.677 1.00 34.15 H new ATOM 0 HA ASP A 96 6.131 -26.474 3.039 1.00 24.41 H new ATOM 0 HB2 ASP A 96 8.867 -27.015 1.923 1.00 72.30 H new ATOM 0 HB3 ASP A 96 8.627 -27.288 3.637 1.00 72.30 H new ATOM 1422 N ALA A 97 8.471 -24.170 3.295 1.00 12.14 N ATOM 1423 CA ALA A 97 8.984 -23.110 4.155 1.00 65.44 C ATOM 1424 C ALA A 97 7.934 -22.028 4.380 1.00 71.34 C ATOM 1425 O ALA A 97 7.827 -21.471 5.471 1.00 51.30 O ATOM 1426 CB ALA A 97 10.245 -22.508 3.553 1.00 43.31 C ATOM 0 H ALA A 97 8.879 -24.190 2.360 1.00 12.14 H new ATOM 0 HA ALA A 97 9.229 -23.547 5.123 1.00 65.44 H new ATOM 0 HB1 ALA A 97 10.618 -21.718 4.205 1.00 43.31 H new ATOM 0 HB2 ALA A 97 11.005 -23.283 3.451 1.00 43.31 H new ATOM 0 HB3 ALA A 97 10.017 -22.092 2.572 1.00 43.31 H new ATOM 1432 N GLY A 98 7.160 -21.735 3.339 1.00 71.52 N ATOM 1433 CA GLY A 98 6.128 -20.720 3.444 1.00 64.22 C ATOM 1434 C GLY A 98 6.337 -19.578 2.469 1.00 63.40 C ATOM 1435 O GLY A 98 6.032 -18.427 2.777 1.00 52.21 O ATOM 0 H GLY A 98 7.229 -22.183 2.425 1.00 71.52 H new ATOM 0 HA2 GLY A 98 5.155 -21.176 3.262 1.00 64.22 H new ATOM 0 HA3 GLY A 98 6.111 -20.327 4.461 1.00 64.22 H new ATOM 1439 N ALA A 99 6.861 -19.897 1.290 1.00 62.30 N ATOM 1440 CA ALA A 99 7.110 -18.889 0.267 1.00 64.40 C ATOM 1441 C ALA A 99 5.906 -18.733 -0.655 1.00 14.14 C ATOM 1442 O ALA A 99 5.300 -19.719 -1.076 1.00 64.12 O ATOM 1443 CB ALA A 99 8.350 -19.250 -0.538 1.00 60.03 C ATOM 0 H ALA A 99 7.121 -20.846 1.020 1.00 62.30 H new ATOM 0 HA ALA A 99 7.278 -17.935 0.766 1.00 64.40 H new ATOM 0 HB1 ALA A 99 8.524 -18.489 -1.299 1.00 60.03 H new ATOM 0 HB2 ALA A 99 9.212 -19.303 0.126 1.00 60.03 H new ATOM 0 HB3 ALA A 99 8.203 -20.217 -1.019 1.00 60.03 H new ATOM 1449 N THR A 100 5.561 -17.487 -0.964 1.00 51.22 N ATOM 1450 CA THR A 100 4.427 -17.201 -1.834 1.00 62.12 C ATOM 1451 C THR A 100 4.547 -17.949 -3.157 1.00 20.20 C ATOM 1452 O THR A 100 3.802 -18.893 -3.418 1.00 14.44 O ATOM 1453 CB THR A 100 4.304 -15.692 -2.120 1.00 64.50 C ATOM 1454 OG1 THR A 100 4.126 -14.975 -0.894 1.00 0.50 O ATOM 1455 CG2 THR A 100 3.136 -15.412 -3.053 1.00 11.33 C ATOM 0 H THR A 100 6.051 -16.659 -0.624 1.00 51.22 H new ATOM 0 HA THR A 100 3.533 -17.538 -1.309 1.00 62.12 H new ATOM 0 HB THR A 100 5.222 -15.359 -2.604 1.00 64.50 H new ATOM 0 HG1 THR A 100 3.361 -14.368 -0.978 1.00 0.50 H new ATOM 0 HG21 THR A 100 3.069 -14.340 -3.241 1.00 11.33 H new ATOM 0 HG22 THR A 100 3.290 -15.936 -3.996 1.00 11.33 H new ATOM 0 HG23 THR A 100 2.211 -15.758 -2.592 1.00 11.33 H new ATOM 1463 N GLY A 101 5.491 -17.522 -3.990 1.00 23.00 N ATOM 1464 CA GLY A 101 5.692 -18.164 -5.276 1.00 53.21 C ATOM 1465 C GLY A 101 7.159 -18.322 -5.623 1.00 32.02 C ATOM 1466 O GLY A 101 8.032 -17.946 -4.841 1.00 21.42 O ATOM 0 H GLY A 101 6.120 -16.743 -3.797 1.00 23.00 H new ATOM 0 HA2 GLY A 101 5.216 -19.145 -5.267 1.00 53.21 H new ATOM 0 HA3 GLY A 101 5.200 -17.578 -6.052 1.00 53.21 H new ATOM 1470 N TRP A 102 7.430 -18.881 -6.797 1.00 4.34 N ATOM 1471 CA TRP A 102 8.803 -19.089 -7.244 1.00 72.51 C ATOM 1472 C TRP A 102 8.958 -18.719 -8.715 1.00 2.42 C ATOM 1473 O TRP A 102 7.970 -18.565 -9.433 1.00 71.31 O ATOM 1474 CB TRP A 102 9.216 -20.546 -7.026 1.00 40.02 C ATOM 1475 CG TRP A 102 8.717 -21.471 -8.095 1.00 24.01 C ATOM 1476 CD1 TRP A 102 7.538 -21.376 -8.776 1.00 74.10 C ATOM 1477 CD2 TRP A 102 9.384 -22.632 -8.603 1.00 0.11 C ATOM 1478 NE1 TRP A 102 7.430 -22.408 -9.677 1.00 25.11 N ATOM 1479 CE2 TRP A 102 8.551 -23.192 -9.591 1.00 14.21 C ATOM 1480 CE3 TRP A 102 10.604 -23.251 -8.321 1.00 24.50 C ATOM 1481 CZ2 TRP A 102 8.900 -24.341 -10.295 1.00 32.22 C ATOM 1482 CZ3 TRP A 102 10.949 -24.392 -9.020 1.00 64.33 C ATOM 1483 CH2 TRP A 102 10.100 -24.927 -9.998 1.00 63.23 C ATOM 0 H TRP A 102 6.719 -19.198 -7.456 1.00 4.34 H new ATOM 0 HA TRP A 102 9.453 -18.442 -6.655 1.00 72.51 H new ATOM 0 HB2 TRP A 102 10.304 -20.605 -6.983 1.00 40.02 H new ATOM 0 HB3 TRP A 102 8.840 -20.882 -6.060 1.00 40.02 H new ATOM 0 HD1 TRP A 102 6.798 -20.603 -8.628 1.00 74.10 H new ATOM 0 HE1 TRP A 102 6.644 -22.565 -10.307 1.00 25.11 H new ATOM 0 HE3 TRP A 102 11.266 -22.845 -7.570 1.00 24.50 H new ATOM 0 HZ2 TRP A 102 8.247 -24.755 -11.049 1.00 32.22 H new ATOM 0 HZ3 TRP A 102 11.889 -24.880 -8.809 1.00 64.33 H new ATOM 0 HH2 TRP A 102 10.399 -25.819 -10.528 1.00 63.23 H new ATOM 1494 N ILE A 103 10.203 -18.576 -9.156 1.00 63.12 N ATOM 1495 CA ILE A 103 10.486 -18.224 -10.542 1.00 64.51 C ATOM 1496 C ILE A 103 11.818 -18.811 -10.997 1.00 44.11 C ATOM 1497 O ILE A 103 12.588 -19.328 -10.188 1.00 60.33 O ATOM 1498 CB ILE A 103 10.516 -16.697 -10.741 1.00 30.52 C ATOM 1499 CG1 ILE A 103 11.074 -16.010 -9.493 1.00 52.30 C ATOM 1500 CG2 ILE A 103 9.122 -16.178 -11.060 1.00 43.23 C ATOM 1501 CD1 ILE A 103 12.462 -16.476 -9.116 1.00 24.23 C ATOM 0 H ILE A 103 11.032 -18.698 -8.574 1.00 63.12 H new ATOM 0 HA ILE A 103 9.681 -18.645 -11.145 1.00 64.51 H new ATOM 0 HB ILE A 103 11.170 -16.467 -11.582 1.00 30.52 H new ATOM 0 HG12 ILE A 103 11.094 -14.933 -9.659 1.00 52.30 H new ATOM 0 HG13 ILE A 103 10.399 -16.191 -8.656 1.00 52.30 H new ATOM 0 HG21 ILE A 103 9.159 -15.097 -11.198 1.00 43.23 H new ATOM 0 HG22 ILE A 103 8.759 -16.648 -11.974 1.00 43.23 H new ATOM 0 HG23 ILE A 103 8.448 -16.416 -10.237 1.00 43.23 H new ATOM 0 HD11 ILE A 103 12.793 -15.947 -8.223 1.00 24.23 H new ATOM 0 HD12 ILE A 103 12.445 -17.548 -8.917 1.00 24.23 H new ATOM 0 HD13 ILE A 103 13.150 -16.270 -9.936 1.00 24.23 H new ATOM 1513 N GLU A 104 12.084 -18.724 -12.297 1.00 31.52 N ATOM 1514 CA GLU A 104 13.324 -19.246 -12.859 1.00 23.12 C ATOM 1515 C GLU A 104 14.306 -18.116 -13.153 1.00 3.45 C ATOM 1516 O GLU A 104 13.937 -17.090 -13.725 1.00 42.10 O ATOM 1517 CB GLU A 104 13.039 -20.034 -14.139 1.00 55.31 C ATOM 1518 CG GLU A 104 11.930 -21.062 -13.987 1.00 2.14 C ATOM 1519 CD GLU A 104 10.556 -20.483 -14.261 1.00 72.24 C ATOM 1520 OE1 GLU A 104 10.475 -19.284 -14.602 1.00 31.24 O ATOM 1521 OE2 GLU A 104 9.562 -21.228 -14.136 1.00 72.31 O ATOM 0 H GLU A 104 11.458 -18.297 -12.980 1.00 31.52 H new ATOM 0 HA GLU A 104 13.773 -19.913 -12.123 1.00 23.12 H new ATOM 0 HB2 GLU A 104 12.770 -19.337 -14.933 1.00 55.31 H new ATOM 0 HB3 GLU A 104 13.951 -20.540 -14.455 1.00 55.31 H new ATOM 0 HG2 GLU A 104 12.113 -21.892 -14.670 1.00 2.14 H new ATOM 0 HG3 GLU A 104 11.953 -21.469 -12.976 1.00 2.14 H new ATOM 1528 N LYS A 105 15.559 -18.310 -12.756 1.00 23.32 N ATOM 1529 CA LYS A 105 16.596 -17.309 -12.976 1.00 24.41 C ATOM 1530 C LYS A 105 17.441 -17.660 -14.197 1.00 30.34 C ATOM 1531 O LYS A 105 17.504 -18.812 -14.627 1.00 40.15 O ATOM 1532 CB LYS A 105 17.491 -17.192 -11.740 1.00 23.00 C ATOM 1533 CG LYS A 105 18.699 -18.113 -11.774 1.00 34.14 C ATOM 1534 CD LYS A 105 19.104 -18.552 -10.377 1.00 31.34 C ATOM 1535 CE LYS A 105 20.328 -17.794 -9.887 1.00 63.12 C ATOM 1536 NZ LYS A 105 21.509 -18.020 -10.767 1.00 13.04 N ATOM 0 H LYS A 105 15.881 -19.152 -12.280 1.00 23.32 H new ATOM 0 HA LYS A 105 16.109 -16.351 -13.156 1.00 24.41 H new ATOM 0 HB2 LYS A 105 17.833 -16.161 -11.646 1.00 23.00 H new ATOM 0 HB3 LYS A 105 16.900 -17.414 -10.851 1.00 23.00 H new ATOM 0 HG2 LYS A 105 18.472 -18.990 -12.381 1.00 34.14 H new ATOM 0 HG3 LYS A 105 19.534 -17.602 -12.252 1.00 34.14 H new ATOM 0 HD2 LYS A 105 18.275 -18.389 -9.689 1.00 31.34 H new ATOM 0 HD3 LYS A 105 19.313 -19.622 -10.377 1.00 31.34 H new ATOM 0 HE2 LYS A 105 20.103 -16.728 -9.847 1.00 63.12 H new ATOM 0 HE3 LYS A 105 20.567 -18.108 -8.871 1.00 63.12 H new ATOM 0 HZ1 LYS A 105 22.381 -17.934 -10.207 1.00 13.04 H new ATOM 0 HZ2 LYS A 105 21.456 -18.972 -11.181 1.00 13.04 H new ATOM 0 HZ3 LYS A 105 21.516 -17.311 -11.528 1.00 13.04 H new ATOM 1550 N PRO A 106 18.107 -16.646 -14.768 1.00 4.13 N ATOM 1551 CA PRO A 106 18.039 -15.271 -14.264 1.00 5.00 C ATOM 1552 C PRO A 106 16.674 -14.635 -14.498 1.00 53.42 C ATOM 1553 O PRO A 106 15.799 -15.233 -15.125 1.00 62.13 O ATOM 1554 CB PRO A 106 19.115 -14.543 -15.074 1.00 53.23 C ATOM 1555 CG PRO A 106 19.242 -15.333 -16.331 1.00 11.20 C ATOM 1556 CD PRO A 106 18.978 -16.763 -15.949 1.00 61.14 C ATOM 0 HA PRO A 106 18.193 -15.224 -13.186 1.00 5.00 H new ATOM 0 HB2 PRO A 106 18.825 -13.513 -15.281 1.00 53.23 H new ATOM 0 HB3 PRO A 106 20.060 -14.505 -14.533 1.00 53.23 H new ATOM 0 HG2 PRO A 106 18.528 -14.991 -17.081 1.00 11.20 H new ATOM 0 HG3 PRO A 106 20.236 -15.222 -16.763 1.00 11.20 H new ATOM 0 HD2 PRO A 106 18.490 -17.311 -16.755 1.00 61.14 H new ATOM 0 HD3 PRO A 106 19.901 -17.294 -15.716 1.00 61.14 H new ATOM 1564 N ILE A 107 16.498 -13.419 -13.991 1.00 72.03 N ATOM 1565 CA ILE A 107 15.239 -12.702 -14.147 1.00 55.34 C ATOM 1566 C ILE A 107 15.420 -11.453 -15.003 1.00 53.24 C ATOM 1567 O ILE A 107 16.401 -10.724 -14.856 1.00 14.30 O ATOM 1568 CB ILE A 107 14.650 -12.295 -12.784 1.00 13.23 C ATOM 1569 CG1 ILE A 107 14.589 -13.504 -11.848 1.00 60.24 C ATOM 1570 CG2 ILE A 107 13.266 -11.688 -12.964 1.00 43.10 C ATOM 1571 CD1 ILE A 107 13.633 -14.580 -12.313 1.00 73.12 C ATOM 0 H ILE A 107 17.211 -12.910 -13.469 1.00 72.03 H new ATOM 0 HA ILE A 107 14.548 -13.383 -14.643 1.00 55.34 H new ATOM 0 HB ILE A 107 15.299 -11.544 -12.335 1.00 13.23 H new ATOM 0 HG12 ILE A 107 15.587 -13.932 -11.755 1.00 60.24 H new ATOM 0 HG13 ILE A 107 14.291 -13.169 -10.854 1.00 60.24 H new ATOM 0 HG21 ILE A 107 12.863 -11.406 -11.991 1.00 43.10 H new ATOM 0 HG22 ILE A 107 13.336 -10.804 -13.598 1.00 43.10 H new ATOM 0 HG23 ILE A 107 12.606 -12.419 -13.432 1.00 43.10 H new ATOM 0 HD11 ILE A 107 13.641 -15.406 -11.602 1.00 73.12 H new ATOM 0 HD12 ILE A 107 12.626 -14.168 -12.379 1.00 73.12 H new ATOM 0 HD13 ILE A 107 13.942 -14.942 -13.293 1.00 73.12 H new ATOM 1583 N ASP A 108 14.467 -11.212 -15.897 1.00 13.52 N ATOM 1584 CA ASP A 108 14.519 -10.049 -16.775 1.00 51.43 C ATOM 1585 C ASP A 108 14.099 -8.785 -16.030 1.00 71.52 C ATOM 1586 O ASP A 108 13.397 -8.836 -15.020 1.00 1.42 O ATOM 1587 CB ASP A 108 13.617 -10.261 -17.992 1.00 64.34 C ATOM 1588 CG ASP A 108 14.408 -10.472 -19.269 1.00 21.34 C ATOM 1589 OD1 ASP A 108 15.372 -11.266 -19.245 1.00 61.24 O ATOM 1590 OD2 ASP A 108 14.062 -9.844 -20.291 1.00 23.21 O ATOM 0 H ASP A 108 13.649 -11.807 -16.033 1.00 13.52 H new ATOM 0 HA ASP A 108 15.548 -9.926 -17.112 1.00 51.43 H new ATOM 0 HB2 ASP A 108 12.975 -11.125 -17.819 1.00 64.34 H new ATOM 0 HB3 ASP A 108 12.964 -9.397 -18.111 1.00 64.34 H new ATOM 1595 N PRO A 109 14.538 -7.625 -16.538 1.00 44.53 N ATOM 1596 CA PRO A 109 14.221 -6.326 -15.936 1.00 72.23 C ATOM 1597 C PRO A 109 12.751 -5.955 -16.101 1.00 41.22 C ATOM 1598 O PRO A 109 12.150 -5.350 -15.214 1.00 44.55 O ATOM 1599 CB PRO A 109 15.109 -5.349 -16.710 1.00 63.45 C ATOM 1600 CG PRO A 109 15.349 -6.013 -18.022 1.00 73.34 C ATOM 1601 CD PRO A 109 15.379 -7.490 -17.740 1.00 12.11 C ATOM 0 HA PRO A 109 14.397 -6.322 -14.860 1.00 72.23 H new ATOM 0 HB2 PRO A 109 14.618 -4.384 -16.838 1.00 63.45 H new ATOM 0 HB3 PRO A 109 16.045 -5.163 -16.184 1.00 63.45 H new ATOM 0 HG2 PRO A 109 14.561 -5.768 -18.733 1.00 73.34 H new ATOM 0 HG3 PRO A 109 16.290 -5.680 -18.461 1.00 73.34 H new ATOM 0 HD2 PRO A 109 14.982 -8.067 -18.575 1.00 12.11 H new ATOM 0 HD3 PRO A 109 16.394 -7.845 -17.562 1.00 12.11 H new ATOM 1609 N GLY A 110 12.177 -6.322 -17.243 1.00 31.11 N ATOM 1610 CA GLY A 110 10.782 -6.019 -17.503 1.00 14.03 C ATOM 1611 C GLY A 110 9.839 -6.883 -16.688 1.00 3.40 C ATOM 1612 O GLY A 110 8.824 -6.402 -16.185 1.00 34.11 O ATOM 0 H GLY A 110 12.653 -6.824 -17.992 1.00 31.11 H new ATOM 0 HA2 GLY A 110 10.593 -4.969 -17.278 1.00 14.03 H new ATOM 0 HA3 GLY A 110 10.574 -6.160 -18.564 1.00 14.03 H new ATOM 1616 N VAL A 111 10.175 -8.162 -16.558 1.00 73.32 N ATOM 1617 CA VAL A 111 9.351 -9.095 -15.799 1.00 74.54 C ATOM 1618 C VAL A 111 9.402 -8.786 -14.307 1.00 70.34 C ATOM 1619 O VAL A 111 8.369 -8.720 -13.640 1.00 31.42 O ATOM 1620 CB VAL A 111 9.798 -10.552 -16.026 1.00 53.24 C ATOM 1621 CG1 VAL A 111 8.931 -11.508 -15.221 1.00 25.20 C ATOM 1622 CG2 VAL A 111 9.753 -10.898 -17.507 1.00 45.41 C ATOM 0 H VAL A 111 11.012 -8.576 -16.968 1.00 73.32 H new ATOM 0 HA VAL A 111 8.328 -8.977 -16.157 1.00 74.54 H new ATOM 0 HB VAL A 111 10.827 -10.656 -15.683 1.00 53.24 H new ATOM 0 HG11 VAL A 111 9.261 -12.532 -15.394 1.00 25.20 H new ATOM 0 HG12 VAL A 111 9.018 -11.273 -14.160 1.00 25.20 H new ATOM 0 HG13 VAL A 111 7.891 -11.405 -15.531 1.00 25.20 H new ATOM 0 HG21 VAL A 111 10.072 -11.931 -17.649 1.00 45.41 H new ATOM 0 HG22 VAL A 111 8.735 -10.778 -17.878 1.00 45.41 H new ATOM 0 HG23 VAL A 111 10.420 -10.233 -18.056 1.00 45.41 H new ATOM 1632 N LEU A 112 10.611 -8.597 -13.790 1.00 15.34 N ATOM 1633 CA LEU A 112 10.798 -8.293 -12.375 1.00 32.30 C ATOM 1634 C LEU A 112 9.938 -7.106 -11.954 1.00 53.12 C ATOM 1635 O LEU A 112 9.257 -7.151 -10.930 1.00 32.14 O ATOM 1636 CB LEU A 112 12.271 -7.998 -12.087 1.00 71.11 C ATOM 1637 CG LEU A 112 12.618 -7.668 -10.635 1.00 31.00 C ATOM 1638 CD1 LEU A 112 13.347 -8.832 -9.983 1.00 22.24 C ATOM 1639 CD2 LEU A 112 13.458 -6.402 -10.562 1.00 45.41 C ATOM 0 H LEU A 112 11.476 -8.649 -14.328 1.00 15.34 H new ATOM 0 HA LEU A 112 10.489 -9.164 -11.798 1.00 32.30 H new ATOM 0 HB2 LEU A 112 12.860 -8.862 -12.393 1.00 71.11 H new ATOM 0 HB3 LEU A 112 12.583 -7.162 -12.713 1.00 71.11 H new ATOM 0 HG LEU A 112 11.690 -7.496 -10.090 1.00 31.00 H new ATOM 0 HD11 LEU A 112 13.586 -8.579 -8.950 1.00 22.24 H new ATOM 0 HD12 LEU A 112 12.710 -9.717 -10.002 1.00 22.24 H new ATOM 0 HD13 LEU A 112 14.268 -9.036 -10.529 1.00 22.24 H new ATOM 0 HD21 LEU A 112 13.696 -6.182 -9.521 1.00 45.41 H new ATOM 0 HD22 LEU A 112 14.382 -6.545 -11.123 1.00 45.41 H new ATOM 0 HD23 LEU A 112 12.899 -5.570 -10.990 1.00 45.41 H new ATOM 1651 N VAL A 113 9.972 -6.044 -12.753 1.00 61.24 N ATOM 1652 CA VAL A 113 9.193 -4.846 -12.466 1.00 43.50 C ATOM 1653 C VAL A 113 7.698 -5.127 -12.556 1.00 33.20 C ATOM 1654 O VAL A 113 6.906 -4.575 -11.793 1.00 73.12 O ATOM 1655 CB VAL A 113 9.548 -3.701 -13.433 1.00 50.53 C ATOM 1656 CG1 VAL A 113 8.694 -2.475 -13.146 1.00 41.01 C ATOM 1657 CG2 VAL A 113 11.028 -3.363 -13.339 1.00 23.22 C ATOM 0 H VAL A 113 10.531 -5.989 -13.604 1.00 61.24 H new ATOM 0 HA VAL A 113 9.442 -4.543 -11.449 1.00 43.50 H new ATOM 0 HB VAL A 113 9.338 -4.031 -14.450 1.00 50.53 H new ATOM 0 HG11 VAL A 113 8.959 -1.677 -13.839 1.00 41.01 H new ATOM 0 HG12 VAL A 113 7.641 -2.728 -13.270 1.00 41.01 H new ATOM 0 HG13 VAL A 113 8.869 -2.141 -12.123 1.00 41.01 H new ATOM 0 HG21 VAL A 113 11.261 -2.552 -14.029 1.00 23.22 H new ATOM 0 HG22 VAL A 113 11.267 -3.053 -12.322 1.00 23.22 H new ATOM 0 HG23 VAL A 113 11.619 -4.241 -13.599 1.00 23.22 H new ATOM 1667 N GLU A 114 7.319 -5.991 -13.493 1.00 51.42 N ATOM 1668 CA GLU A 114 5.917 -6.345 -13.683 1.00 22.24 C ATOM 1669 C GLU A 114 5.386 -7.122 -12.482 1.00 34.43 C ATOM 1670 O GLU A 114 4.253 -6.913 -12.044 1.00 62.33 O ATOM 1671 CB GLU A 114 5.746 -7.174 -14.957 1.00 74.21 C ATOM 1672 CG GLU A 114 5.923 -6.371 -16.234 1.00 40.34 C ATOM 1673 CD GLU A 114 6.431 -7.213 -17.388 1.00 24.50 C ATOM 1674 OE1 GLU A 114 6.947 -6.631 -18.365 1.00 62.11 O ATOM 1675 OE2 GLU A 114 6.314 -8.454 -17.314 1.00 75.31 O ATOM 0 H GLU A 114 7.963 -6.458 -14.132 1.00 51.42 H new ATOM 0 HA GLU A 114 5.345 -5.422 -13.779 1.00 22.24 H new ATOM 0 HB2 GLU A 114 6.468 -7.991 -14.948 1.00 74.21 H new ATOM 0 HB3 GLU A 114 4.754 -7.625 -14.956 1.00 74.21 H new ATOM 0 HG2 GLU A 114 4.970 -5.920 -16.510 1.00 40.34 H new ATOM 0 HG3 GLU A 114 6.621 -5.554 -16.051 1.00 40.34 H new ATOM 1682 N LEU A 115 6.210 -8.020 -11.954 1.00 2.05 N ATOM 1683 CA LEU A 115 5.824 -8.830 -10.803 1.00 42.12 C ATOM 1684 C LEU A 115 5.544 -7.951 -9.588 1.00 61.51 C ATOM 1685 O LEU A 115 4.659 -8.248 -8.785 1.00 25.20 O ATOM 1686 CB LEU A 115 6.925 -9.840 -10.474 1.00 35.23 C ATOM 1687 CG LEU A 115 7.094 -10.995 -11.462 1.00 15.31 C ATOM 1688 CD1 LEU A 115 8.218 -11.917 -11.018 1.00 21.23 C ATOM 1689 CD2 LEU A 115 5.791 -11.769 -11.605 1.00 43.13 C ATOM 0 H LEU A 115 7.150 -8.206 -12.304 1.00 2.05 H new ATOM 0 HA LEU A 115 4.910 -9.367 -11.057 1.00 42.12 H new ATOM 0 HB2 LEU A 115 7.872 -9.305 -10.406 1.00 35.23 H new ATOM 0 HB3 LEU A 115 6.724 -10.258 -9.488 1.00 35.23 H new ATOM 0 HG LEU A 115 7.356 -10.580 -12.435 1.00 15.31 H new ATOM 0 HD11 LEU A 115 8.323 -12.733 -11.733 1.00 21.23 H new ATOM 0 HD12 LEU A 115 9.151 -11.355 -10.968 1.00 21.23 H new ATOM 0 HD13 LEU A 115 7.987 -12.325 -10.034 1.00 21.23 H new ATOM 0 HD21 LEU A 115 5.929 -12.587 -12.312 1.00 43.13 H new ATOM 0 HD22 LEU A 115 5.499 -12.173 -10.635 1.00 43.13 H new ATOM 0 HD23 LEU A 115 5.010 -11.102 -11.970 1.00 43.13 H new ATOM 1701 N VAL A 116 6.302 -6.867 -9.461 1.00 24.23 N ATOM 1702 CA VAL A 116 6.134 -5.943 -8.346 1.00 32.14 C ATOM 1703 C VAL A 116 5.030 -4.932 -8.632 1.00 52.42 C ATOM 1704 O VAL A 116 4.291 -4.533 -7.733 1.00 12.52 O ATOM 1705 CB VAL A 116 7.441 -5.187 -8.040 1.00 72.44 C ATOM 1706 CG1 VAL A 116 7.304 -4.379 -6.759 1.00 54.02 C ATOM 1707 CG2 VAL A 116 8.608 -6.159 -7.945 1.00 54.22 C ATOM 0 H VAL A 116 7.039 -6.607 -10.117 1.00 24.23 H new ATOM 0 HA VAL A 116 5.859 -6.542 -7.478 1.00 32.14 H new ATOM 0 HB VAL A 116 7.640 -4.494 -8.858 1.00 72.44 H new ATOM 0 HG11 VAL A 116 8.237 -3.852 -6.560 1.00 54.02 H new ATOM 0 HG12 VAL A 116 6.496 -3.656 -6.869 1.00 54.02 H new ATOM 0 HG13 VAL A 116 7.081 -5.049 -5.928 1.00 54.02 H new ATOM 0 HG21 VAL A 116 9.523 -5.608 -7.728 1.00 54.22 H new ATOM 0 HG22 VAL A 116 8.419 -6.877 -7.147 1.00 54.22 H new ATOM 0 HG23 VAL A 116 8.718 -6.689 -8.891 1.00 54.22 H new ATOM 1717 N ALA A 117 4.924 -4.521 -9.892 1.00 15.13 N ATOM 1718 CA ALA A 117 3.908 -3.558 -10.298 1.00 11.40 C ATOM 1719 C ALA A 117 2.520 -3.999 -9.846 1.00 22.32 C ATOM 1720 O ALA A 117 1.800 -3.246 -9.190 1.00 30.04 O ATOM 1721 CB ALA A 117 3.937 -3.365 -11.807 1.00 11.20 C ATOM 0 H ALA A 117 5.529 -4.840 -10.649 1.00 15.13 H new ATOM 0 HA ALA A 117 4.132 -2.606 -9.816 1.00 11.40 H new ATOM 0 HB1 ALA A 117 3.173 -2.643 -12.096 1.00 11.20 H new ATOM 0 HB2 ALA A 117 4.917 -2.996 -12.108 1.00 11.20 H new ATOM 0 HB3 ALA A 117 3.741 -4.318 -12.299 1.00 11.20 H new ATOM 1727 N THR A 118 2.149 -5.226 -10.201 1.00 43.53 N ATOM 1728 CA THR A 118 0.847 -5.767 -9.834 1.00 0.12 C ATOM 1729 C THR A 118 0.592 -5.618 -8.338 1.00 70.22 C ATOM 1730 O THR A 118 -0.546 -5.422 -7.908 1.00 63.34 O ATOM 1731 CB THR A 118 0.728 -7.254 -10.218 1.00 11.21 C ATOM 1732 OG1 THR A 118 -0.597 -7.725 -9.947 1.00 62.13 O ATOM 1733 CG2 THR A 118 1.737 -8.094 -9.450 1.00 3.41 C ATOM 0 H THR A 118 2.733 -5.863 -10.743 1.00 43.53 H new ATOM 0 HA THR A 118 0.100 -5.196 -10.386 1.00 0.12 H new ATOM 0 HB THR A 118 0.936 -7.349 -11.284 1.00 11.21 H new ATOM 0 HG1 THR A 118 -0.665 -8.671 -10.195 1.00 62.13 H new ATOM 0 HG21 THR A 118 1.634 -9.140 -9.738 1.00 3.41 H new ATOM 0 HG22 THR A 118 2.746 -7.752 -9.681 1.00 3.41 H new ATOM 0 HG23 THR A 118 1.555 -7.993 -8.380 1.00 3.41 H new ATOM 1741 N LEU A 119 1.657 -5.712 -7.549 1.00 54.52 N ATOM 1742 CA LEU A 119 1.548 -5.586 -6.100 1.00 20.42 C ATOM 1743 C LEU A 119 1.501 -4.120 -5.682 1.00 22.22 C ATOM 1744 O LEU A 119 0.806 -3.757 -4.733 1.00 50.33 O ATOM 1745 CB LEU A 119 2.726 -6.285 -5.418 1.00 74.52 C ATOM 1746 CG LEU A 119 3.173 -7.608 -6.041 1.00 74.51 C ATOM 1747 CD1 LEU A 119 4.517 -8.038 -5.474 1.00 34.31 C ATOM 1748 CD2 LEU A 119 2.125 -8.687 -5.810 1.00 74.55 C ATOM 0 H LEU A 119 2.605 -5.875 -7.888 1.00 54.52 H new ATOM 0 HA LEU A 119 0.619 -6.063 -5.788 1.00 20.42 H new ATOM 0 HB2 LEU A 119 3.576 -5.602 -5.415 1.00 74.52 H new ATOM 0 HB3 LEU A 119 2.461 -6.468 -4.377 1.00 74.52 H new ATOM 0 HG LEU A 119 3.285 -7.462 -7.115 1.00 74.51 H new ATOM 0 HD11 LEU A 119 4.819 -8.981 -5.929 1.00 34.31 H new ATOM 0 HD12 LEU A 119 5.264 -7.275 -5.691 1.00 34.31 H new ATOM 0 HD13 LEU A 119 4.432 -8.166 -4.395 1.00 34.31 H new ATOM 0 HD21 LEU A 119 2.460 -9.622 -6.260 1.00 74.55 H new ATOM 0 HD22 LEU A 119 1.981 -8.831 -4.739 1.00 74.55 H new ATOM 0 HD23 LEU A 119 1.183 -8.382 -6.265 1.00 74.55 H new ATOM 1760 N SER A 120 2.244 -3.282 -6.398 1.00 21.13 N ATOM 1761 CA SER A 120 2.289 -1.855 -6.100 1.00 74.22 C ATOM 1762 C SER A 120 0.944 -1.197 -6.393 1.00 33.13 C ATOM 1763 O SER A 120 0.406 -0.464 -5.563 1.00 65.11 O ATOM 1764 CB SER A 120 3.390 -1.177 -6.917 1.00 52.51 C ATOM 1765 OG SER A 120 3.053 -1.137 -8.293 1.00 63.41 O ATOM 0 H SER A 120 2.823 -3.566 -7.188 1.00 21.13 H new ATOM 0 HA SER A 120 2.509 -1.737 -5.039 1.00 74.22 H new ATOM 0 HB2 SER A 120 3.549 -0.163 -6.549 1.00 52.51 H new ATOM 0 HB3 SER A 120 4.329 -1.715 -6.785 1.00 52.51 H new ATOM 0 HG SER A 120 2.442 -1.874 -8.502 1.00 63.41 H new