USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 876 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= -0.0971 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.0849 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.303 (180deg=0.17) USER MOD Single : A 30 SER OG : rot -26:sc= 0.175 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 160:sc= 0 USER MOD Single : A 38 MET CE :methyl -164:sc= -0.0781 (180deg=-0.474) USER MOD Single : A 41 TYR OH : rot 180:sc= 0.825 USER MOD Single : A 48 ASN : amide:sc= -0.153 K(o=-0.15,f=-1) USER MOD Single : A 49 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-1.9!) USER MOD Single : B 201 MET CE :methyl 160:sc= -0.161 (180deg=-0.674) USER MOD Single : B 211 LYS NZ :NH3+ 173:sc= -0.01 (180deg=-0.0752) USER MOD Single : B 213 THR OG1 : rot -37:sc= -0.0164 USER MOD Single : B 214 LYS NZ :NH3+ -167:sc= -0.0142 (180deg=-0.187) USER MOD Single : B 221 TYR OH : rot -136:sc= 0.473 USER MOD Single : B 229 LYS NZ :NH3+ 142:sc= -1.59 (180deg=-4.01!) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 237 SER OG : rot 180:sc= -0.12 USER MOD Single : B 238 MET CE :methyl -159:sc= -0.154 (180deg=-0.699) USER MOD Single : B 239 SER OG : rot 180:sc= -0.0993 USER MOD Single : B 241 TYR OH : rot 180:sc= 0 USER MOD Single : B 248 ASN : amide:sc= -0.588 K(o=-0.59,f=-3.2!) USER MOD Single : B 249 HIS : no HD1:sc= 0.248 K(o=0.25,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.336 10.843 4.423 1.00 42.53 N ATOM 2 CA MET A 1 15.654 10.356 3.050 1.00 44.13 C ATOM 3 C MET A 1 17.174 10.219 2.849 1.00 10.51 C ATOM 4 O MET A 1 17.958 10.735 3.647 1.00 63.33 O ATOM 5 CB MET A 1 15.061 11.301 1.994 1.00 12.22 C ATOM 6 CG MET A 1 15.683 12.692 1.973 1.00 0.15 C ATOM 7 SD MET A 1 14.976 13.741 0.686 1.00 3.11 S ATOM 8 CE MET A 1 15.937 15.244 0.889 1.00 42.10 C ATOM 0 H1 MET A 1 15.007 10.047 5.006 1.00 42.53 H new ATOM 0 H2 MET A 1 16.189 11.256 4.851 1.00 42.53 H new ATOM 0 H3 MET A 1 14.590 11.566 4.371 1.00 42.53 H new ATOM 0 HA MET A 1 15.205 9.370 2.931 1.00 44.13 H new ATOM 0 HB2 MET A 1 15.181 10.848 1.010 1.00 12.22 H new ATOM 0 HB3 MET A 1 13.990 11.398 2.171 1.00 12.22 H new ATOM 0 HG2 MET A 1 15.540 13.166 2.944 1.00 0.15 H new ATOM 0 HG3 MET A 1 16.758 12.604 1.817 1.00 0.15 H new ATOM 0 HE1 MET A 1 15.611 15.986 0.160 1.00 42.10 H new ATOM 0 HE2 MET A 1 15.791 15.636 1.895 1.00 42.10 H new ATOM 0 HE3 MET A 1 16.993 15.024 0.735 1.00 42.10 H new ATOM 20 N VAL A 2 17.587 9.528 1.785 1.00 34.02 N ATOM 21 CA VAL A 2 19.016 9.346 1.496 1.00 11.34 C ATOM 22 C VAL A 2 19.562 10.501 0.636 1.00 34.51 C ATOM 23 O VAL A 2 20.761 10.792 0.657 1.00 32.32 O ATOM 24 CB VAL A 2 19.295 7.984 0.803 1.00 12.24 C ATOM 25 CG1 VAL A 2 18.701 7.941 -0.605 1.00 20.44 C ATOM 26 CG2 VAL A 2 20.793 7.682 0.779 1.00 44.34 C ATOM 0 H VAL A 2 16.960 9.087 1.112 1.00 34.02 H new ATOM 0 HA VAL A 2 19.536 9.349 2.454 1.00 11.34 H new ATOM 0 HB VAL A 2 18.803 7.207 1.388 1.00 12.24 H new ATOM 0 HG11 VAL A 2 18.915 6.974 -1.061 1.00 20.44 H new ATOM 0 HG12 VAL A 2 17.622 8.085 -0.549 1.00 20.44 H new ATOM 0 HG13 VAL A 2 19.142 8.733 -1.210 1.00 20.44 H new ATOM 0 HG21 VAL A 2 20.963 6.723 0.289 1.00 44.34 H new ATOM 0 HG22 VAL A 2 21.314 8.467 0.231 1.00 44.34 H new ATOM 0 HG23 VAL A 2 21.172 7.640 1.800 1.00 44.34 H new ATOM 36 N GLY A 3 18.679 11.153 -0.124 1.00 53.20 N ATOM 37 CA GLY A 3 19.074 12.343 -0.879 1.00 61.45 C ATOM 38 C GLY A 3 18.707 12.284 -2.359 1.00 72.11 C ATOM 39 O GLY A 3 19.563 12.030 -3.206 1.00 34.32 O ATOM 0 H GLY A 3 17.701 10.883 -0.232 1.00 53.20 H new ATOM 0 HA2 GLY A 3 18.603 13.218 -0.432 1.00 61.45 H new ATOM 0 HA3 GLY A 3 20.152 12.479 -0.787 1.00 61.45 H new ATOM 43 N ARG A 4 17.437 12.520 -2.672 1.00 64.22 N ATOM 44 CA ARG A 4 16.973 12.570 -4.067 1.00 44.13 C ATOM 45 C ARG A 4 15.950 13.697 -4.267 1.00 73.01 C ATOM 46 O ARG A 4 15.291 14.127 -3.319 1.00 42.12 O ATOM 47 CB ARG A 4 16.342 11.232 -4.483 1.00 23.01 C ATOM 48 CG ARG A 4 17.314 10.057 -4.494 1.00 12.45 C ATOM 49 CD ARG A 4 16.629 8.764 -4.922 1.00 15.52 C ATOM 50 NE ARG A 4 17.555 7.633 -4.939 1.00 70.44 N ATOM 51 CZ ARG A 4 17.607 6.711 -4.014 1.00 0.13 C ATOM 52 NH1 ARG A 4 16.843 6.777 -2.969 1.00 22.54 N ATOM 53 NH2 ARG A 4 18.438 5.727 -4.127 1.00 2.32 N ATOM 0 H ARG A 4 16.704 12.681 -1.981 1.00 64.22 H new ATOM 0 HA ARG A 4 17.844 12.765 -4.693 1.00 44.13 H new ATOM 0 HB2 ARG A 4 15.521 11.003 -3.803 1.00 23.01 H new ATOM 0 HB3 ARG A 4 15.910 11.341 -5.478 1.00 23.01 H new ATOM 0 HG2 ARG A 4 18.139 10.274 -5.172 1.00 12.45 H new ATOM 0 HG3 ARG A 4 17.743 9.930 -3.500 1.00 12.45 H new ATOM 0 HD2 ARG A 4 15.805 8.548 -4.242 1.00 15.52 H new ATOM 0 HD3 ARG A 4 16.197 8.894 -5.914 1.00 15.52 H new ATOM 0 HE ARG A 4 18.203 7.559 -5.724 1.00 70.44 H new ATOM 0 HH11 ARG A 4 16.192 7.555 -2.862 1.00 22.54 H new ATOM 0 HH12 ARG A 4 16.893 6.051 -2.254 1.00 22.54 H new ATOM 0 HH21 ARG A 4 19.054 5.670 -4.938 1.00 2.32 H new ATOM 0 HH22 ARG A 4 18.478 5.008 -3.405 1.00 2.32 H new ATOM 67 N ARG A 5 15.823 14.176 -5.506 1.00 20.33 N ATOM 68 CA ARG A 5 14.808 15.181 -5.847 1.00 10.34 C ATOM 69 C ARG A 5 13.660 14.561 -6.665 1.00 34.53 C ATOM 70 O ARG A 5 13.805 14.301 -7.864 1.00 14.12 O ATOM 71 CB ARG A 5 15.437 16.350 -6.621 1.00 74.01 C ATOM 72 CG ARG A 5 14.416 17.382 -7.105 1.00 4.02 C ATOM 73 CD ARG A 5 15.079 18.605 -7.730 1.00 71.34 C ATOM 74 NE ARG A 5 15.853 19.371 -6.754 1.00 54.51 N ATOM 75 CZ ARG A 5 15.584 20.601 -6.404 1.00 61.41 C ATOM 76 NH1 ARG A 5 14.586 21.240 -6.936 1.00 13.44 N ATOM 77 NH2 ARG A 5 16.315 21.195 -5.518 1.00 42.44 N ATOM 0 H ARG A 5 16.408 13.886 -6.290 1.00 20.33 H new ATOM 0 HA ARG A 5 14.395 15.561 -4.913 1.00 10.34 H new ATOM 0 HB2 ARG A 5 16.168 16.846 -5.983 1.00 74.01 H new ATOM 0 HB3 ARG A 5 15.979 15.956 -7.481 1.00 74.01 H new ATOM 0 HG2 ARG A 5 13.753 16.918 -7.835 1.00 4.02 H new ATOM 0 HG3 ARG A 5 13.796 17.697 -6.266 1.00 4.02 H new ATOM 0 HD2 ARG A 5 15.733 18.287 -8.542 1.00 71.34 H new ATOM 0 HD3 ARG A 5 14.315 19.246 -8.169 1.00 71.34 H new ATOM 0 HE ARG A 5 16.655 18.916 -6.318 1.00 54.51 H new ATOM 0 HH11 ARG A 5 14.002 20.782 -7.636 1.00 13.44 H new ATOM 0 HH12 ARG A 5 14.387 22.200 -6.654 1.00 13.44 H new ATOM 0 HH21 ARG A 5 17.101 20.703 -5.093 1.00 42.44 H new ATOM 0 HH22 ARG A 5 16.106 22.155 -5.244 1.00 42.44 H new ATOM 91 N PRO A 6 12.509 14.292 -6.021 1.00 45.14 N ATOM 92 CA PRO A 6 11.316 13.762 -6.701 1.00 72.31 C ATOM 93 C PRO A 6 10.543 14.848 -7.480 1.00 61.50 C ATOM 94 O PRO A 6 11.099 15.890 -7.841 1.00 22.12 O ATOM 95 CB PRO A 6 10.459 13.202 -5.539 1.00 12.53 C ATOM 96 CG PRO A 6 11.284 13.361 -4.295 1.00 31.01 C ATOM 97 CD PRO A 6 12.268 14.458 -4.582 1.00 41.13 C ATOM 0 HA PRO A 6 11.575 13.016 -7.453 1.00 72.31 H new ATOM 0 HB2 PRO A 6 9.517 13.744 -5.453 1.00 12.53 H new ATOM 0 HB3 PRO A 6 10.209 12.155 -5.709 1.00 12.53 H new ATOM 0 HG2 PRO A 6 10.656 13.615 -3.441 1.00 31.01 H new ATOM 0 HG3 PRO A 6 11.798 12.432 -4.047 1.00 31.01 H new ATOM 0 HD2 PRO A 6 11.860 15.442 -4.349 1.00 41.13 H new ATOM 0 HD3 PRO A 6 13.183 14.346 -4.001 1.00 41.13 H new ATOM 105 N GLY A 7 9.267 14.582 -7.763 1.00 42.52 N ATOM 106 CA GLY A 7 8.408 15.570 -8.411 1.00 41.34 C ATOM 107 C GLY A 7 7.674 16.461 -7.410 1.00 52.30 C ATOM 108 O GLY A 7 8.263 17.377 -6.837 1.00 41.14 O ATOM 0 H GLY A 7 8.809 13.695 -7.554 1.00 42.52 H new ATOM 0 HA2 GLY A 7 9.012 16.193 -9.071 1.00 41.34 H new ATOM 0 HA3 GLY A 7 7.678 15.056 -9.037 1.00 41.34 H new ATOM 112 N GLY A 8 6.389 16.183 -7.189 1.00 62.30 N ATOM 113 CA GLY A 8 5.595 16.979 -6.256 1.00 34.53 C ATOM 114 C GLY A 8 4.089 16.870 -6.505 1.00 72.13 C ATOM 115 O GLY A 8 3.457 17.821 -6.970 1.00 33.13 O ATOM 0 H GLY A 8 5.881 15.421 -7.638 1.00 62.30 H new ATOM 0 HA2 GLY A 8 5.813 16.658 -5.237 1.00 34.53 H new ATOM 0 HA3 GLY A 8 5.895 18.024 -6.332 1.00 34.53 H new ATOM 119 N GLY A 9 3.511 15.710 -6.195 1.00 1.22 N ATOM 120 CA GLY A 9 2.080 15.491 -6.405 1.00 13.14 C ATOM 121 C GLY A 9 1.734 15.137 -7.850 1.00 41.41 C ATOM 122 O GLY A 9 0.615 15.379 -8.308 1.00 41.02 O ATOM 0 H GLY A 9 4.008 14.912 -5.800 1.00 1.22 H new ATOM 0 HA2 GLY A 9 1.741 14.689 -5.750 1.00 13.14 H new ATOM 0 HA3 GLY A 9 1.535 16.390 -6.117 1.00 13.14 H new ATOM 126 N LEU A 10 2.692 14.554 -8.566 1.00 74.43 N ATOM 127 CA LEU A 10 2.506 14.191 -9.979 1.00 43.44 C ATOM 128 C LEU A 10 2.862 12.717 -10.234 1.00 20.23 C ATOM 129 O LEU A 10 1.992 11.895 -10.520 1.00 40.15 O ATOM 130 CB LEU A 10 3.368 15.094 -10.882 1.00 63.04 C ATOM 131 CG LEU A 10 3.059 16.601 -10.806 1.00 61.45 C ATOM 132 CD1 LEU A 10 4.015 17.400 -11.690 1.00 10.15 C ATOM 133 CD2 LEU A 10 1.608 16.879 -11.199 1.00 43.23 C ATOM 0 H LEU A 10 3.612 14.319 -8.193 1.00 74.43 H new ATOM 0 HA LEU A 10 1.453 14.335 -10.219 1.00 43.44 H new ATOM 0 HB2 LEU A 10 4.416 14.943 -10.622 1.00 63.04 H new ATOM 0 HB3 LEU A 10 3.245 14.768 -11.915 1.00 63.04 H new ATOM 0 HG LEU A 10 3.202 16.920 -9.774 1.00 61.45 H new ATOM 0 HD11 LEU A 10 3.776 18.461 -11.619 1.00 10.15 H new ATOM 0 HD12 LEU A 10 5.040 17.236 -11.358 1.00 10.15 H new ATOM 0 HD13 LEU A 10 3.912 17.074 -12.725 1.00 10.15 H new ATOM 0 HD21 LEU A 10 1.413 17.950 -11.138 1.00 43.23 H new ATOM 0 HD22 LEU A 10 1.435 16.537 -12.219 1.00 43.23 H new ATOM 0 HD23 LEU A 10 0.939 16.349 -10.520 1.00 43.23 H new ATOM 145 N LYS A 11 4.151 12.399 -10.136 1.00 4.24 N ATOM 146 CA LYS A 11 4.647 11.034 -10.376 1.00 72.00 C ATOM 147 C LYS A 11 5.870 10.737 -9.496 1.00 51.11 C ATOM 148 O LYS A 11 6.689 9.874 -9.800 1.00 32.13 O ATOM 149 CB LYS A 11 4.984 10.857 -11.865 1.00 32.54 C ATOM 150 CG LYS A 11 5.950 11.908 -12.410 1.00 71.02 C ATOM 151 CD LYS A 11 6.021 11.884 -13.937 1.00 3.53 C ATOM 152 CE LYS A 11 4.652 12.122 -14.566 1.00 14.35 C ATOM 153 NZ LYS A 11 4.733 12.290 -16.041 1.00 50.01 N ATOM 0 H LYS A 11 4.880 13.069 -9.891 1.00 4.24 H new ATOM 0 HA LYS A 11 3.866 10.322 -10.108 1.00 72.00 H new ATOM 0 HB2 LYS A 11 5.417 9.868 -12.014 1.00 32.54 H new ATOM 0 HB3 LYS A 11 4.061 10.892 -12.443 1.00 32.54 H new ATOM 0 HG2 LYS A 11 5.635 12.897 -12.077 1.00 71.02 H new ATOM 0 HG3 LYS A 11 6.944 11.735 -11.998 1.00 71.02 H new ATOM 0 HD2 LYS A 11 6.718 12.648 -14.282 1.00 3.53 H new ATOM 0 HD3 LYS A 11 6.412 10.922 -14.269 1.00 3.53 H new ATOM 0 HE2 LYS A 11 3.996 11.283 -14.333 1.00 14.35 H new ATOM 0 HE3 LYS A 11 4.201 13.011 -14.125 1.00 14.35 H new ATOM 0 HZ1 LYS A 11 3.780 12.449 -16.425 1.00 50.01 H new ATOM 0 HZ2 LYS A 11 5.337 13.106 -16.265 1.00 50.01 H new ATOM 0 HZ3 LYS A 11 5.139 11.432 -16.466 1.00 50.01 H new ATOM 167 N ASP A 12 5.959 11.466 -8.389 1.00 61.44 N ATOM 168 CA ASP A 12 7.035 11.304 -7.403 1.00 33.14 C ATOM 169 C ASP A 12 6.866 10.020 -6.579 1.00 71.21 C ATOM 170 O ASP A 12 7.844 9.398 -6.161 1.00 15.24 O ATOM 171 CB ASP A 12 7.072 12.533 -6.481 1.00 51.30 C ATOM 172 CG ASP A 12 5.685 13.069 -6.167 1.00 75.22 C ATOM 173 OD1 ASP A 12 5.080 13.690 -7.069 1.00 73.20 O ATOM 174 OD2 ASP A 12 5.198 12.878 -5.036 1.00 30.45 O ATOM 0 H ASP A 12 5.285 12.192 -8.144 1.00 61.44 H new ATOM 0 HA ASP A 12 7.980 11.219 -7.940 1.00 33.14 H new ATOM 0 HB2 ASP A 12 7.575 12.270 -5.551 1.00 51.30 H new ATOM 0 HB3 ASP A 12 7.663 13.318 -6.952 1.00 51.30 H new ATOM 179 N THR A 13 5.619 9.643 -6.332 1.00 74.35 N ATOM 180 CA THR A 13 5.311 8.402 -5.621 1.00 23.12 C ATOM 181 C THR A 13 5.344 7.196 -6.576 1.00 5.24 C ATOM 182 O THR A 13 4.480 7.058 -7.444 1.00 12.24 O ATOM 183 CB THR A 13 3.922 8.475 -4.940 1.00 45.44 C ATOM 184 OG1 THR A 13 2.899 8.736 -5.915 1.00 35.43 O ATOM 185 CG2 THR A 13 3.887 9.565 -3.875 1.00 12.12 C ATOM 0 H THR A 13 4.798 10.179 -6.614 1.00 74.35 H new ATOM 0 HA THR A 13 6.075 8.274 -4.854 1.00 23.12 H new ATOM 0 HB THR A 13 3.738 7.512 -4.464 1.00 45.44 H new ATOM 0 HG1 THR A 13 2.027 8.778 -5.471 1.00 35.43 H new ATOM 0 HG21 THR A 13 2.899 9.592 -3.415 1.00 12.12 H new ATOM 0 HG22 THR A 13 4.637 9.353 -3.113 1.00 12.12 H new ATOM 0 HG23 THR A 13 4.100 10.530 -4.335 1.00 12.12 H new ATOM 193 N LYS A 14 6.342 6.331 -6.406 1.00 20.13 N ATOM 194 CA LYS A 14 6.535 5.160 -7.277 1.00 31.12 C ATOM 195 C LYS A 14 5.306 4.230 -7.264 1.00 71.41 C ATOM 196 O LYS A 14 4.807 3.869 -6.196 1.00 74.45 O ATOM 197 CB LYS A 14 7.776 4.374 -6.824 1.00 43.23 C ATOM 198 CG LYS A 14 9.054 5.211 -6.751 1.00 73.12 C ATOM 199 CD LYS A 14 9.506 5.710 -8.122 1.00 43.45 C ATOM 200 CE LYS A 14 9.825 4.560 -9.070 1.00 71.40 C ATOM 201 NZ LYS A 14 10.368 5.046 -10.362 1.00 1.54 N ATOM 0 H LYS A 14 7.039 6.416 -5.666 1.00 20.13 H new ATOM 0 HA LYS A 14 6.673 5.523 -8.295 1.00 31.12 H new ATOM 0 HB2 LYS A 14 7.581 3.942 -5.842 1.00 43.23 H new ATOM 0 HB3 LYS A 14 7.937 3.543 -7.511 1.00 43.23 H new ATOM 0 HG2 LYS A 14 8.888 6.065 -6.094 1.00 73.12 H new ATOM 0 HG3 LYS A 14 9.850 4.615 -6.304 1.00 73.12 H new ATOM 0 HD2 LYS A 14 8.724 6.333 -8.557 1.00 43.45 H new ATOM 0 HD3 LYS A 14 10.388 6.340 -8.006 1.00 43.45 H new ATOM 0 HE2 LYS A 14 10.547 3.892 -8.601 1.00 71.40 H new ATOM 0 HE3 LYS A 14 8.922 3.977 -9.251 1.00 71.40 H new ATOM 0 HZ1 LYS A 14 10.573 4.235 -10.980 1.00 1.54 H new ATOM 0 HZ2 LYS A 14 9.669 5.664 -10.822 1.00 1.54 H new ATOM 0 HZ3 LYS A 14 11.244 5.581 -10.191 1.00 1.54 H new ATOM 215 N PRO A 15 4.803 3.825 -8.453 1.00 52.01 N ATOM 216 CA PRO A 15 3.632 2.934 -8.557 1.00 54.43 C ATOM 217 C PRO A 15 3.934 1.478 -8.140 1.00 32.15 C ATOM 218 O PRO A 15 4.564 0.717 -8.881 1.00 32.41 O ATOM 219 CB PRO A 15 3.263 3.013 -10.047 1.00 74.01 C ATOM 220 CG PRO A 15 4.544 3.341 -10.737 1.00 10.13 C ATOM 221 CD PRO A 15 5.325 4.210 -9.782 1.00 33.11 C ATOM 0 HA PRO A 15 2.831 3.241 -7.885 1.00 54.43 H new ATOM 0 HB2 PRO A 15 2.851 2.069 -10.404 1.00 74.01 H new ATOM 0 HB3 PRO A 15 2.508 3.778 -10.228 1.00 74.01 H new ATOM 0 HG2 PRO A 15 5.098 2.435 -10.981 1.00 10.13 H new ATOM 0 HG3 PRO A 15 4.358 3.863 -11.676 1.00 10.13 H new ATOM 0 HD2 PRO A 15 6.397 4.028 -9.860 1.00 33.11 H new ATOM 0 HD3 PRO A 15 5.166 5.269 -9.983 1.00 33.11 H new ATOM 229 N VAL A 16 3.494 1.112 -6.937 1.00 1.23 N ATOM 230 CA VAL A 16 3.652 -0.252 -6.418 1.00 61.22 C ATOM 231 C VAL A 16 2.352 -1.064 -6.582 1.00 23.21 C ATOM 232 O VAL A 16 1.304 -0.709 -6.038 1.00 70.45 O ATOM 233 CB VAL A 16 4.057 -0.235 -4.920 1.00 21.43 C ATOM 234 CG1 VAL A 16 4.279 -1.654 -4.397 1.00 33.25 C ATOM 235 CG2 VAL A 16 5.302 0.628 -4.702 1.00 74.21 C ATOM 0 H VAL A 16 3.020 1.747 -6.295 1.00 1.23 H new ATOM 0 HA VAL A 16 4.444 -0.726 -6.998 1.00 61.22 H new ATOM 0 HB VAL A 16 3.236 0.207 -4.355 1.00 21.43 H new ATOM 0 HG11 VAL A 16 4.562 -1.614 -3.345 1.00 33.25 H new ATOM 0 HG12 VAL A 16 3.359 -2.229 -4.504 1.00 33.25 H new ATOM 0 HG13 VAL A 16 5.074 -2.132 -4.969 1.00 33.25 H new ATOM 0 HG21 VAL A 16 5.567 0.625 -3.645 1.00 74.21 H new ATOM 0 HG22 VAL A 16 6.130 0.225 -5.285 1.00 74.21 H new ATOM 0 HG23 VAL A 16 5.097 1.650 -5.021 1.00 74.21 H new ATOM 245 N VAL A 17 2.429 -2.160 -7.336 1.00 23.24 N ATOM 246 CA VAL A 17 1.267 -3.025 -7.568 1.00 72.21 C ATOM 247 C VAL A 17 0.896 -3.816 -6.301 1.00 34.30 C ATOM 248 O VAL A 17 1.539 -4.816 -5.965 1.00 22.41 O ATOM 249 CB VAL A 17 1.522 -4.013 -8.739 1.00 24.15 C ATOM 250 CG1 VAL A 17 0.284 -4.872 -9.008 1.00 43.31 C ATOM 251 CG2 VAL A 17 1.948 -3.258 -10.001 1.00 73.11 C ATOM 0 H VAL A 17 3.283 -2.472 -7.798 1.00 23.24 H new ATOM 0 HA VAL A 17 0.435 -2.373 -7.833 1.00 72.21 H new ATOM 0 HB VAL A 17 2.336 -4.678 -8.451 1.00 24.15 H new ATOM 0 HG11 VAL A 17 0.488 -5.556 -9.832 1.00 43.31 H new ATOM 0 HG12 VAL A 17 0.037 -5.445 -8.114 1.00 43.31 H new ATOM 0 HG13 VAL A 17 -0.556 -4.228 -9.270 1.00 43.31 H new ATOM 0 HG21 VAL A 17 2.122 -3.969 -10.809 1.00 73.11 H new ATOM 0 HG22 VAL A 17 1.161 -2.563 -10.292 1.00 73.11 H new ATOM 0 HG23 VAL A 17 2.865 -2.704 -9.801 1.00 73.11 H new ATOM 261 N VAL A 18 -0.130 -3.351 -5.593 1.00 13.12 N ATOM 262 CA VAL A 18 -0.589 -4.005 -4.360 1.00 63.41 C ATOM 263 C VAL A 18 -1.945 -4.700 -4.569 1.00 11.34 C ATOM 264 O VAL A 18 -2.892 -4.102 -5.069 1.00 54.03 O ATOM 265 CB VAL A 18 -0.699 -2.989 -3.193 1.00 42.32 C ATOM 266 CG1 VAL A 18 -1.169 -3.675 -1.909 1.00 72.43 C ATOM 267 CG2 VAL A 18 0.638 -2.275 -2.972 1.00 33.40 C ATOM 0 H VAL A 18 -0.664 -2.521 -5.849 1.00 13.12 H new ATOM 0 HA VAL A 18 0.155 -4.758 -4.101 1.00 63.41 H new ATOM 0 HB VAL A 18 -1.445 -2.242 -3.464 1.00 42.32 H new ATOM 0 HG11 VAL A 18 -1.237 -2.939 -1.108 1.00 72.43 H new ATOM 0 HG12 VAL A 18 -2.148 -4.124 -2.074 1.00 72.43 H new ATOM 0 HG13 VAL A 18 -0.457 -4.451 -1.629 1.00 72.43 H new ATOM 0 HG21 VAL A 18 0.541 -1.566 -2.149 1.00 33.40 H new ATOM 0 HG22 VAL A 18 1.407 -3.009 -2.730 1.00 33.40 H new ATOM 0 HG23 VAL A 18 0.920 -1.741 -3.879 1.00 33.40 H new ATOM 277 N ARG A 19 -2.025 -5.970 -4.180 1.00 63.12 N ATOM 278 CA ARG A 19 -3.247 -6.766 -4.360 1.00 44.32 C ATOM 279 C ARG A 19 -4.048 -6.878 -3.049 1.00 42.54 C ATOM 280 O ARG A 19 -3.502 -7.248 -2.014 1.00 62.12 O ATOM 281 CB ARG A 19 -2.873 -8.163 -4.881 1.00 3.22 C ATOM 282 CG ARG A 19 -2.325 -8.167 -6.305 1.00 51.22 C ATOM 283 CD ARG A 19 -1.700 -9.512 -6.682 1.00 34.42 C ATOM 284 NE ARG A 19 -2.609 -10.648 -6.492 1.00 2.31 N ATOM 285 CZ ARG A 19 -2.813 -11.580 -7.390 1.00 45.23 C ATOM 286 NH1 ARG A 19 -2.319 -11.469 -8.582 1.00 73.03 N ATOM 287 NH2 ARG A 19 -3.528 -12.619 -7.103 1.00 42.31 N ATOM 0 H ARG A 19 -1.258 -6.476 -3.736 1.00 63.12 H new ATOM 0 HA ARG A 19 -3.883 -6.262 -5.088 1.00 44.32 H new ATOM 0 HB2 ARG A 19 -2.129 -8.601 -4.215 1.00 3.22 H new ATOM 0 HB3 ARG A 19 -3.754 -8.803 -4.840 1.00 3.22 H new ATOM 0 HG2 ARG A 19 -3.130 -7.934 -7.002 1.00 51.22 H new ATOM 0 HG3 ARG A 19 -1.578 -7.380 -6.407 1.00 51.22 H new ATOM 0 HD2 ARG A 19 -1.384 -9.479 -7.725 1.00 34.42 H new ATOM 0 HD3 ARG A 19 -0.803 -9.669 -6.082 1.00 34.42 H new ATOM 0 HE ARG A 19 -3.112 -10.716 -5.608 1.00 2.31 H new ATOM 0 HH11 ARG A 19 -1.764 -10.650 -8.830 1.00 73.03 H new ATOM 0 HH12 ARG A 19 -2.484 -12.201 -9.273 1.00 73.03 H new ATOM 0 HH21 ARG A 19 -3.937 -12.716 -6.173 1.00 42.31 H new ATOM 0 HH22 ARG A 19 -3.683 -13.341 -7.806 1.00 42.31 H new ATOM 301 N LEU A 20 -5.345 -6.567 -3.100 1.00 14.21 N ATOM 302 CA LEU A 20 -6.219 -6.657 -1.916 1.00 14.24 C ATOM 303 C LEU A 20 -7.446 -7.547 -2.193 1.00 12.31 C ATOM 304 O LEU A 20 -7.931 -7.609 -3.321 1.00 51.34 O ATOM 305 CB LEU A 20 -6.670 -5.252 -1.483 1.00 11.14 C ATOM 306 CG LEU A 20 -7.525 -5.192 -0.202 1.00 32.14 C ATOM 307 CD1 LEU A 20 -6.759 -5.760 0.995 1.00 42.51 C ATOM 308 CD2 LEU A 20 -7.979 -3.759 0.076 1.00 31.14 C ATOM 0 H LEU A 20 -5.818 -6.250 -3.946 1.00 14.21 H new ATOM 0 HA LEU A 20 -5.647 -7.114 -1.109 1.00 14.24 H new ATOM 0 HB2 LEU A 20 -5.784 -4.635 -1.336 1.00 11.14 H new ATOM 0 HB3 LEU A 20 -7.238 -4.805 -2.299 1.00 11.14 H new ATOM 0 HG LEU A 20 -8.411 -5.808 -0.357 1.00 32.14 H new ATOM 0 HD11 LEU A 20 -7.384 -5.706 1.886 1.00 42.51 H new ATOM 0 HD12 LEU A 20 -6.496 -6.799 0.799 1.00 42.51 H new ATOM 0 HD13 LEU A 20 -5.850 -5.180 1.154 1.00 42.51 H new ATOM 0 HD21 LEU A 20 -8.581 -3.738 0.984 1.00 31.14 H new ATOM 0 HD22 LEU A 20 -7.106 -3.119 0.204 1.00 31.14 H new ATOM 0 HD23 LEU A 20 -8.574 -3.397 -0.762 1.00 31.14 H new ATOM 320 N TYR A 21 -7.938 -8.242 -1.165 1.00 5.22 N ATOM 321 CA TYR A 21 -9.087 -9.147 -1.319 1.00 73.33 C ATOM 322 C TYR A 21 -10.359 -8.390 -1.751 1.00 10.01 C ATOM 323 O TYR A 21 -10.796 -7.457 -1.077 1.00 41.30 O ATOM 324 CB TYR A 21 -9.345 -9.910 -0.011 1.00 25.42 C ATOM 325 CG TYR A 21 -8.240 -10.889 0.347 1.00 44.41 C ATOM 326 CD1 TYR A 21 -8.251 -12.190 -0.147 1.00 70.51 C ATOM 327 CD2 TYR A 21 -7.181 -10.512 1.167 1.00 54.34 C ATOM 328 CE1 TYR A 21 -7.245 -13.083 0.168 1.00 65.32 C ATOM 329 CE2 TYR A 21 -6.169 -11.401 1.483 1.00 33.24 C ATOM 330 CZ TYR A 21 -6.206 -12.685 0.981 1.00 4.14 C ATOM 331 OH TYR A 21 -5.199 -13.572 1.287 1.00 60.33 O ATOM 0 H TYR A 21 -7.562 -8.198 -0.218 1.00 5.22 H new ATOM 0 HA TYR A 21 -8.840 -9.858 -2.107 1.00 73.33 H new ATOM 0 HB2 TYR A 21 -9.462 -9.193 0.802 1.00 25.42 H new ATOM 0 HB3 TYR A 21 -10.287 -10.452 -0.096 1.00 25.42 H new ATOM 0 HD1 TYR A 21 -9.060 -12.507 -0.788 1.00 70.51 H new ATOM 0 HD2 TYR A 21 -7.148 -9.508 1.564 1.00 54.34 H new ATOM 0 HE1 TYR A 21 -7.273 -14.090 -0.222 1.00 65.32 H new ATOM 0 HE2 TYR A 21 -5.354 -11.091 2.120 1.00 33.24 H new ATOM 0 HH TYR A 21 -4.543 -13.134 1.869 1.00 60.33 H new ATOM 341 N PRO A 22 -10.984 -8.801 -2.879 1.00 53.13 N ATOM 342 CA PRO A 22 -12.180 -8.122 -3.426 1.00 54.03 C ATOM 343 C PRO A 22 -13.326 -8.020 -2.405 1.00 52.31 C ATOM 344 O PRO A 22 -14.138 -7.095 -2.459 1.00 23.12 O ATOM 345 CB PRO A 22 -12.588 -9.002 -4.625 1.00 42.11 C ATOM 346 CG PRO A 22 -11.861 -10.295 -4.432 1.00 10.44 C ATOM 347 CD PRO A 22 -10.589 -9.951 -3.707 1.00 43.45 C ATOM 0 HA PRO A 22 -11.964 -7.089 -3.700 1.00 54.03 H new ATOM 0 HB2 PRO A 22 -13.667 -9.157 -4.650 1.00 42.11 H new ATOM 0 HB3 PRO A 22 -12.312 -8.533 -5.569 1.00 42.11 H new ATOM 0 HG2 PRO A 22 -12.461 -10.998 -3.854 1.00 10.44 H new ATOM 0 HG3 PRO A 22 -11.648 -10.770 -5.390 1.00 10.44 H new ATOM 0 HD2 PRO A 22 -10.233 -10.783 -3.100 1.00 43.45 H new ATOM 0 HD3 PRO A 22 -9.786 -9.694 -4.399 1.00 43.45 H new ATOM 355 N ASP A 23 -13.379 -8.976 -1.479 1.00 72.52 N ATOM 356 CA ASP A 23 -14.372 -8.962 -0.401 1.00 64.32 C ATOM 357 C ASP A 23 -14.158 -7.739 0.512 1.00 55.31 C ATOM 358 O ASP A 23 -15.106 -7.038 0.872 1.00 15.01 O ATOM 359 CB ASP A 23 -14.267 -10.263 0.407 1.00 53.25 C ATOM 360 CG ASP A 23 -15.396 -10.422 1.410 1.00 41.33 C ATOM 361 OD1 ASP A 23 -15.283 -9.896 2.537 1.00 50.32 O ATOM 362 OD2 ASP A 23 -16.404 -11.075 1.074 1.00 73.32 O ATOM 0 H ASP A 23 -12.744 -9.774 -1.452 1.00 72.52 H new ATOM 0 HA ASP A 23 -15.370 -8.890 -0.833 1.00 64.32 H new ATOM 0 HB2 ASP A 23 -14.271 -11.112 -0.277 1.00 53.25 H new ATOM 0 HB3 ASP A 23 -13.313 -10.283 0.934 1.00 53.25 H new ATOM 367 N GLU A 24 -12.898 -7.481 0.859 1.00 70.13 N ATOM 368 CA GLU A 24 -12.538 -6.338 1.704 1.00 21.43 C ATOM 369 C GLU A 24 -12.626 -5.017 0.929 1.00 71.42 C ATOM 370 O GLU A 24 -12.968 -3.980 1.497 1.00 65.13 O ATOM 371 CB GLU A 24 -11.129 -6.527 2.276 1.00 22.55 C ATOM 372 CG GLU A 24 -10.998 -7.766 3.149 1.00 70.44 C ATOM 373 CD GLU A 24 -9.615 -7.916 3.754 1.00 73.15 C ATOM 374 OE1 GLU A 24 -9.349 -7.277 4.794 1.00 2.20 O ATOM 375 OE2 GLU A 24 -8.800 -8.678 3.194 1.00 30.43 O ATOM 0 H GLU A 24 -12.104 -8.050 0.567 1.00 70.13 H new ATOM 0 HA GLU A 24 -13.253 -6.290 2.525 1.00 21.43 H new ATOM 0 HB2 GLU A 24 -10.416 -6.592 1.454 1.00 22.55 H new ATOM 0 HB3 GLU A 24 -10.861 -5.648 2.862 1.00 22.55 H new ATOM 0 HG2 GLU A 24 -11.737 -7.721 3.949 1.00 70.44 H new ATOM 0 HG3 GLU A 24 -11.227 -8.650 2.554 1.00 70.44 H new ATOM 382 N ILE A 25 -12.317 -5.059 -0.368 1.00 62.33 N ATOM 383 CA ILE A 25 -12.475 -3.888 -1.239 1.00 75.32 C ATOM 384 C ILE A 25 -13.929 -3.374 -1.208 1.00 34.02 C ATOM 385 O ILE A 25 -14.183 -2.173 -1.319 1.00 12.25 O ATOM 386 CB ILE A 25 -12.059 -4.205 -2.701 1.00 54.15 C ATOM 387 CG1 ILE A 25 -10.583 -4.638 -2.751 1.00 34.03 C ATOM 388 CG2 ILE A 25 -12.299 -2.996 -3.611 1.00 15.10 C ATOM 389 CD1 ILE A 25 -10.092 -5.004 -4.137 1.00 34.01 C ATOM 0 H ILE A 25 -11.956 -5.888 -0.840 1.00 62.33 H new ATOM 0 HA ILE A 25 -11.815 -3.109 -0.857 1.00 75.32 H new ATOM 0 HB ILE A 25 -12.676 -5.027 -3.065 1.00 54.15 H new ATOM 0 HG12 ILE A 25 -9.965 -3.830 -2.360 1.00 34.03 H new ATOM 0 HG13 ILE A 25 -10.444 -5.494 -2.090 1.00 34.03 H new ATOM 0 HG21 ILE A 25 -12.000 -3.242 -4.630 1.00 15.10 H new ATOM 0 HG22 ILE A 25 -13.357 -2.734 -3.597 1.00 15.10 H new ATOM 0 HG23 ILE A 25 -11.711 -2.150 -3.255 1.00 15.10 H new ATOM 0 HD11 ILE A 25 -9.044 -5.298 -4.086 1.00 34.01 H new ATOM 0 HD12 ILE A 25 -10.683 -5.834 -4.525 1.00 34.01 H new ATOM 0 HD13 ILE A 25 -10.196 -4.144 -4.799 1.00 34.01 H new ATOM 401 N GLU A 26 -14.876 -4.300 -1.033 1.00 61.10 N ATOM 402 CA GLU A 26 -16.293 -3.946 -0.875 1.00 34.54 C ATOM 403 C GLU A 26 -16.495 -3.068 0.374 1.00 61.54 C ATOM 404 O GLU A 26 -17.217 -2.070 0.347 1.00 71.04 O ATOM 405 CB GLU A 26 -17.149 -5.216 -0.755 1.00 74.03 C ATOM 406 CG GLU A 26 -18.638 -4.981 -0.996 1.00 70.15 C ATOM 407 CD GLU A 26 -18.983 -4.924 -2.476 1.00 61.33 C ATOM 408 OE1 GLU A 26 -18.581 -3.952 -3.153 1.00 23.12 O ATOM 409 OE2 GLU A 26 -19.614 -5.877 -2.978 1.00 22.14 O ATOM 0 H GLU A 26 -14.689 -5.302 -0.997 1.00 61.10 H new ATOM 0 HA GLU A 26 -16.604 -3.385 -1.756 1.00 34.54 H new ATOM 0 HB2 GLU A 26 -16.787 -5.955 -1.469 1.00 74.03 H new ATOM 0 HB3 GLU A 26 -17.014 -5.641 0.240 1.00 74.03 H new ATOM 0 HG2 GLU A 26 -19.210 -5.779 -0.523 1.00 70.15 H new ATOM 0 HG3 GLU A 26 -18.938 -4.048 -0.519 1.00 70.15 H new ATOM 416 N ALA A 27 -15.845 -3.455 1.468 1.00 25.11 N ATOM 417 CA ALA A 27 -15.881 -2.679 2.710 1.00 50.24 C ATOM 418 C ALA A 27 -15.041 -1.396 2.585 1.00 31.23 C ATOM 419 O ALA A 27 -15.347 -0.372 3.204 1.00 42.31 O ATOM 420 CB ALA A 27 -15.384 -3.531 3.874 1.00 11.31 C ATOM 0 H ALA A 27 -15.284 -4.305 1.522 1.00 25.11 H new ATOM 0 HA ALA A 27 -16.913 -2.386 2.901 1.00 50.24 H new ATOM 0 HB1 ALA A 27 -15.415 -2.945 4.793 1.00 11.31 H new ATOM 0 HB2 ALA A 27 -16.022 -4.408 3.981 1.00 11.31 H new ATOM 0 HB3 ALA A 27 -14.360 -3.849 3.681 1.00 11.31 H new ATOM 426 N LEU A 28 -13.989 -1.463 1.772 1.00 22.02 N ATOM 427 CA LEU A 28 -13.088 -0.324 1.548 1.00 42.44 C ATOM 428 C LEU A 28 -13.821 0.853 0.882 1.00 34.14 C ATOM 429 O LEU A 28 -13.802 1.974 1.391 1.00 54.32 O ATOM 430 CB LEU A 28 -11.894 -0.763 0.686 1.00 51.12 C ATOM 431 CG LEU A 28 -10.813 0.307 0.448 1.00 0.23 C ATOM 432 CD1 LEU A 28 -10.164 0.725 1.766 1.00 50.31 C ATOM 433 CD2 LEU A 28 -9.762 -0.199 -0.542 1.00 65.31 C ATOM 0 H LEU A 28 -13.734 -2.302 1.250 1.00 22.02 H new ATOM 0 HA LEU A 28 -12.727 0.017 2.518 1.00 42.44 H new ATOM 0 HB2 LEU A 28 -11.426 -1.627 1.159 1.00 51.12 H new ATOM 0 HB3 LEU A 28 -12.270 -1.094 -0.282 1.00 51.12 H new ATOM 0 HG LEU A 28 -11.292 1.186 0.015 1.00 0.23 H new ATOM 0 HD11 LEU A 28 -9.403 1.482 1.573 1.00 50.31 H new ATOM 0 HD12 LEU A 28 -10.924 1.135 2.432 1.00 50.31 H new ATOM 0 HD13 LEU A 28 -9.701 -0.143 2.235 1.00 50.31 H new ATOM 0 HD21 LEU A 28 -9.007 0.572 -0.697 1.00 65.31 H new ATOM 0 HD22 LEU A 28 -9.288 -1.096 -0.143 1.00 65.31 H new ATOM 0 HD23 LEU A 28 -10.241 -0.434 -1.493 1.00 65.31 H new ATOM 445 N LYS A 29 -14.490 0.583 -0.241 1.00 15.44 N ATOM 446 CA LYS A 29 -15.229 1.622 -0.982 1.00 3.33 C ATOM 447 C LYS A 29 -16.287 2.312 -0.099 1.00 24.45 C ATOM 448 O LYS A 29 -16.742 3.416 -0.404 1.00 14.22 O ATOM 449 CB LYS A 29 -15.920 1.012 -2.215 1.00 75.53 C ATOM 450 CG LYS A 29 -17.024 0.017 -1.863 1.00 65.03 C ATOM 451 CD LYS A 29 -17.738 -0.530 -3.097 1.00 53.52 C ATOM 452 CE LYS A 29 -16.804 -1.334 -3.995 1.00 23.33 C ATOM 453 NZ LYS A 29 -17.532 -1.951 -5.138 1.00 13.31 N ATOM 0 H LYS A 29 -14.539 -0.345 -0.662 1.00 15.44 H new ATOM 0 HA LYS A 29 -14.502 2.371 -1.297 1.00 3.33 H new ATOM 0 HB2 LYS A 29 -16.344 1.815 -2.819 1.00 75.53 H new ATOM 0 HB3 LYS A 29 -15.173 0.511 -2.830 1.00 75.53 H new ATOM 0 HG2 LYS A 29 -16.595 -0.811 -1.299 1.00 65.03 H new ATOM 0 HG3 LYS A 29 -17.751 0.502 -1.212 1.00 65.03 H new ATOM 0 HD2 LYS A 29 -18.570 -1.161 -2.783 1.00 53.52 H new ATOM 0 HD3 LYS A 29 -18.162 0.297 -3.666 1.00 53.52 H new ATOM 0 HE2 LYS A 29 -16.016 -0.684 -4.374 1.00 23.33 H new ATOM 0 HE3 LYS A 29 -16.319 -2.115 -3.409 1.00 23.33 H new ATOM 0 HZ1 LYS A 29 -16.848 -2.269 -5.854 1.00 13.31 H new ATOM 0 HZ2 LYS A 29 -18.083 -2.766 -4.800 1.00 13.31 H new ATOM 0 HZ3 LYS A 29 -18.174 -1.250 -5.559 1.00 13.31 H new ATOM 467 N SER A 30 -16.681 1.650 0.990 1.00 65.54 N ATOM 468 CA SER A 30 -17.720 2.177 1.888 1.00 2.43 C ATOM 469 C SER A 30 -17.128 2.963 3.071 1.00 54.54 C ATOM 470 O SER A 30 -17.851 3.666 3.778 1.00 74.14 O ATOM 471 CB SER A 30 -18.593 1.030 2.417 1.00 44.41 C ATOM 472 OG SER A 30 -19.698 1.520 3.163 1.00 33.44 O ATOM 0 H SER A 30 -16.299 0.748 1.275 1.00 65.54 H new ATOM 0 HA SER A 30 -18.327 2.868 1.303 1.00 2.43 H new ATOM 0 HB2 SER A 30 -18.954 0.430 1.581 1.00 44.41 H new ATOM 0 HB3 SER A 30 -17.991 0.373 3.045 1.00 44.41 H new ATOM 0 HG SER A 30 -19.473 2.394 3.544 1.00 33.44 H new ATOM 478 N ARG A 31 -15.817 2.839 3.296 1.00 60.41 N ATOM 479 CA ARG A 31 -15.156 3.533 4.419 1.00 10.34 C ATOM 480 C ARG A 31 -14.225 4.667 3.945 1.00 14.21 C ATOM 481 O ARG A 31 -13.539 5.294 4.756 1.00 74.43 O ATOM 482 CB ARG A 31 -14.360 2.536 5.274 1.00 73.22 C ATOM 483 CG ARG A 31 -13.244 1.823 4.517 1.00 1.43 C ATOM 484 CD ARG A 31 -12.430 0.909 5.428 1.00 21.51 C ATOM 485 NE ARG A 31 -11.695 1.656 6.446 1.00 14.21 N ATOM 486 CZ ARG A 31 -11.222 1.132 7.546 1.00 54.22 C ATOM 487 NH1 ARG A 31 -11.386 -0.124 7.804 1.00 62.04 N ATOM 488 NH2 ARG A 31 -10.585 1.870 8.394 1.00 3.22 N ATOM 0 H ARG A 31 -15.192 2.271 2.724 1.00 60.41 H new ATOM 0 HA ARG A 31 -15.947 3.983 5.019 1.00 10.34 H new ATOM 0 HB2 ARG A 31 -13.928 3.065 6.124 1.00 73.22 H new ATOM 0 HB3 ARG A 31 -15.045 1.791 5.677 1.00 73.22 H new ATOM 0 HG2 ARG A 31 -13.674 1.236 3.705 1.00 1.43 H new ATOM 0 HG3 ARG A 31 -12.585 2.562 4.062 1.00 1.43 H new ATOM 0 HD2 ARG A 31 -13.096 0.196 5.913 1.00 21.51 H new ATOM 0 HD3 ARG A 31 -11.728 0.331 4.827 1.00 21.51 H new ATOM 0 HE ARG A 31 -11.541 2.652 6.288 1.00 14.21 H new ATOM 0 HH11 ARG A 31 -11.889 -0.718 7.146 1.00 62.04 H new ATOM 0 HH12 ARG A 31 -11.012 -0.521 8.666 1.00 62.04 H new ATOM 0 HH21 ARG A 31 -10.451 2.863 8.206 1.00 3.22 H new ATOM 0 HH22 ARG A 31 -10.217 1.459 9.252 1.00 3.22 H new ATOM 502 N VAL A 32 -14.197 4.921 2.638 1.00 10.12 N ATOM 503 CA VAL A 32 -13.376 6.007 2.084 1.00 52.01 C ATOM 504 C VAL A 32 -14.110 7.360 2.158 1.00 21.15 C ATOM 505 O VAL A 32 -15.315 7.439 1.907 1.00 50.02 O ATOM 506 CB VAL A 32 -12.962 5.728 0.611 1.00 11.13 C ATOM 507 CG1 VAL A 32 -12.059 4.499 0.524 1.00 64.33 C ATOM 508 CG2 VAL A 32 -14.192 5.569 -0.284 1.00 62.33 C ATOM 0 H VAL A 32 -14.728 4.396 1.943 1.00 10.12 H new ATOM 0 HA VAL A 32 -12.475 6.054 2.696 1.00 52.01 H new ATOM 0 HB VAL A 32 -12.397 6.588 0.251 1.00 11.13 H new ATOM 0 HG11 VAL A 32 -11.782 4.324 -0.516 1.00 64.33 H new ATOM 0 HG12 VAL A 32 -11.159 4.666 1.116 1.00 64.33 H new ATOM 0 HG13 VAL A 32 -12.590 3.629 0.910 1.00 64.33 H new ATOM 0 HG21 VAL A 32 -13.874 5.375 -1.308 1.00 62.33 H new ATOM 0 HG22 VAL A 32 -14.796 4.735 0.073 1.00 62.33 H new ATOM 0 HG23 VAL A 32 -14.784 6.484 -0.255 1.00 62.33 H new ATOM 518 N PRO A 33 -13.398 8.441 2.538 1.00 10.25 N ATOM 519 CA PRO A 33 -13.961 9.798 2.545 1.00 24.13 C ATOM 520 C PRO A 33 -14.128 10.361 1.123 1.00 60.41 C ATOM 521 O PRO A 33 -13.344 10.048 0.228 1.00 43.14 O ATOM 522 CB PRO A 33 -12.925 10.623 3.340 1.00 71.43 C ATOM 523 CG PRO A 33 -11.964 9.627 3.915 1.00 33.22 C ATOM 524 CD PRO A 33 -12.008 8.433 3.004 1.00 51.15 C ATOM 0 HA PRO A 33 -14.959 9.823 2.982 1.00 24.13 H new ATOM 0 HB2 PRO A 33 -12.411 11.333 2.693 1.00 71.43 H new ATOM 0 HB3 PRO A 33 -13.407 11.201 4.128 1.00 71.43 H new ATOM 0 HG2 PRO A 33 -10.957 10.041 3.966 1.00 33.22 H new ATOM 0 HG3 PRO A 33 -12.248 9.353 4.931 1.00 33.22 H new ATOM 0 HD2 PRO A 33 -11.303 8.526 2.178 1.00 51.15 H new ATOM 0 HD3 PRO A 33 -11.762 7.511 3.531 1.00 51.15 H new ATOM 532 N ALA A 34 -15.132 11.216 0.930 1.00 74.52 N ATOM 533 CA ALA A 34 -15.429 11.789 -0.392 1.00 61.44 C ATOM 534 C ALA A 34 -14.196 12.440 -1.048 1.00 2.21 C ATOM 535 O ALA A 34 -14.060 12.440 -2.272 1.00 23.10 O ATOM 536 CB ALA A 34 -16.557 12.810 -0.270 1.00 43.12 C ATOM 0 H ALA A 34 -15.758 11.531 1.672 1.00 74.52 H new ATOM 0 HA ALA A 34 -15.737 10.968 -1.039 1.00 61.44 H new ATOM 0 HB1 ALA A 34 -16.774 13.232 -1.251 1.00 43.12 H new ATOM 0 HB2 ALA A 34 -17.450 12.321 0.120 1.00 43.12 H new ATOM 0 HB3 ALA A 34 -16.254 13.607 0.409 1.00 43.12 H new ATOM 542 N ASN A 35 -13.294 12.981 -0.230 1.00 55.33 N ATOM 543 CA ASN A 35 -12.119 13.697 -0.742 1.00 43.12 C ATOM 544 C ASN A 35 -10.973 12.743 -1.144 1.00 52.00 C ATOM 545 O ASN A 35 -10.103 13.110 -1.936 1.00 52.40 O ATOM 546 CB ASN A 35 -11.622 14.704 0.305 1.00 0.22 C ATOM 547 CG ASN A 35 -12.715 15.672 0.729 1.00 44.43 C ATOM 548 OD1 ASN A 35 -12.934 16.698 0.098 1.00 62.33 O ATOM 549 ND2 ASN A 35 -13.402 15.361 1.811 1.00 2.24 N ATOM 0 H ASN A 35 -13.351 12.939 0.788 1.00 55.33 H new ATOM 0 HA ASN A 35 -12.430 14.224 -1.644 1.00 43.12 H new ATOM 0 HB2 ASN A 35 -11.255 14.166 1.179 1.00 0.22 H new ATOM 0 HB3 ASN A 35 -10.780 15.264 -0.102 1.00 0.22 H new ATOM 0 HD21 ASN A 35 -14.139 15.983 2.143 1.00 2.24 H new ATOM 0 HD22 ASN A 35 -13.196 14.499 2.315 1.00 2.24 H new ATOM 556 N THR A 36 -10.990 11.514 -0.629 1.00 74.30 N ATOM 557 CA THR A 36 -9.887 10.561 -0.858 1.00 11.55 C ATOM 558 C THR A 36 -10.330 9.329 -1.666 1.00 23.45 C ATOM 559 O THR A 36 -11.287 8.648 -1.305 1.00 60.11 O ATOM 560 CB THR A 36 -9.267 10.088 0.484 1.00 52.32 C ATOM 561 OG1 THR A 36 -8.620 11.186 1.143 1.00 12.54 O ATOM 562 CG2 THR A 36 -8.256 8.967 0.277 1.00 1.42 C ATOM 0 H THR A 36 -11.748 11.149 -0.052 1.00 74.30 H new ATOM 0 HA THR A 36 -9.140 11.101 -1.439 1.00 11.55 H new ATOM 0 HB THR A 36 -10.081 9.707 1.100 1.00 52.32 H new ATOM 0 HG1 THR A 36 -8.518 10.981 2.096 1.00 12.54 H new ATOM 0 HG21 THR A 36 -7.845 8.665 1.240 1.00 1.42 H new ATOM 0 HG22 THR A 36 -8.749 8.115 -0.191 1.00 1.42 H new ATOM 0 HG23 THR A 36 -7.450 9.319 -0.367 1.00 1.42 H new ATOM 570 N SER A 37 -9.608 9.041 -2.751 1.00 42.43 N ATOM 571 CA SER A 37 -9.861 7.840 -3.568 1.00 42.14 C ATOM 572 C SER A 37 -9.292 6.580 -2.894 1.00 4.20 C ATOM 573 O SER A 37 -8.451 6.677 -1.998 1.00 21.21 O ATOM 574 CB SER A 37 -9.238 8.002 -4.964 1.00 52.22 C ATOM 575 OG SER A 37 -7.836 8.224 -4.880 1.00 2.51 O ATOM 0 H SER A 37 -8.840 9.621 -3.089 1.00 42.43 H new ATOM 0 HA SER A 37 -10.941 7.725 -3.664 1.00 42.14 H new ATOM 0 HB2 SER A 37 -9.432 7.109 -5.557 1.00 52.22 H new ATOM 0 HB3 SER A 37 -9.711 8.837 -5.481 1.00 52.22 H new ATOM 0 HG SER A 37 -7.466 8.322 -5.782 1.00 2.51 H new ATOM 581 N MET A 38 -9.734 5.399 -3.333 1.00 30.25 N ATOM 582 CA MET A 38 -9.305 4.131 -2.713 1.00 5.45 C ATOM 583 C MET A 38 -7.776 3.943 -2.755 1.00 2.01 C ATOM 584 O MET A 38 -7.167 3.528 -1.766 1.00 13.33 O ATOM 585 CB MET A 38 -10.001 2.937 -3.383 1.00 51.32 C ATOM 586 CG MET A 38 -11.521 2.977 -3.286 1.00 63.53 C ATOM 587 SD MET A 38 -12.296 1.466 -3.911 1.00 3.41 S ATOM 588 CE MET A 38 -11.659 1.412 -5.585 1.00 12.31 C ATOM 0 H MET A 38 -10.385 5.288 -4.110 1.00 30.25 H new ATOM 0 HA MET A 38 -9.599 4.178 -1.665 1.00 5.45 H new ATOM 0 HB2 MET A 38 -9.714 2.904 -4.434 1.00 51.32 H new ATOM 0 HB3 MET A 38 -9.641 2.015 -2.926 1.00 51.32 H new ATOM 0 HG2 MET A 38 -11.812 3.127 -2.246 1.00 63.53 H new ATOM 0 HG3 MET A 38 -11.895 3.833 -3.848 1.00 63.53 H new ATOM 0 HE1 MET A 38 -12.253 0.717 -6.178 1.00 12.31 H new ATOM 0 HE2 MET A 38 -11.714 2.407 -6.028 1.00 12.31 H new ATOM 0 HE3 MET A 38 -10.621 1.079 -5.569 1.00 12.31 H new ATOM 598 N SER A 39 -7.158 4.249 -3.896 1.00 44.13 N ATOM 599 CA SER A 39 -5.698 4.117 -4.043 1.00 15.21 C ATOM 600 C SER A 39 -4.959 5.066 -3.091 1.00 64.43 C ATOM 601 O SER A 39 -4.026 4.665 -2.393 1.00 73.03 O ATOM 602 CB SER A 39 -5.270 4.400 -5.489 1.00 54.04 C ATOM 603 OG SER A 39 -5.482 5.760 -5.838 1.00 33.35 O ATOM 0 H SER A 39 -7.637 4.588 -4.730 1.00 44.13 H new ATOM 0 HA SER A 39 -5.433 3.091 -3.788 1.00 15.21 H new ATOM 0 HB2 SER A 39 -4.216 4.152 -5.613 1.00 54.04 H new ATOM 0 HB3 SER A 39 -5.831 3.757 -6.168 1.00 54.04 H new ATOM 0 HG SER A 39 -5.198 5.908 -6.764 1.00 33.35 H new ATOM 609 N ALA A 40 -5.386 6.328 -3.066 1.00 13.23 N ATOM 610 CA ALA A 40 -4.820 7.319 -2.144 1.00 75.13 C ATOM 611 C ALA A 40 -5.068 6.921 -0.680 1.00 64.13 C ATOM 612 O ALA A 40 -4.246 7.193 0.200 1.00 11.14 O ATOM 613 CB ALA A 40 -5.408 8.697 -2.424 1.00 22.23 C ATOM 0 H ALA A 40 -6.122 6.691 -3.672 1.00 13.23 H new ATOM 0 HA ALA A 40 -3.743 7.354 -2.306 1.00 75.13 H new ATOM 0 HB1 ALA A 40 -4.979 9.423 -1.733 1.00 22.23 H new ATOM 0 HB2 ALA A 40 -5.176 8.990 -3.448 1.00 22.23 H new ATOM 0 HB3 ALA A 40 -6.489 8.665 -2.292 1.00 22.23 H new ATOM 619 N TYR A 41 -6.207 6.275 -0.435 1.00 53.20 N ATOM 620 CA TYR A 41 -6.568 5.786 0.899 1.00 53.21 C ATOM 621 C TYR A 41 -5.539 4.756 1.393 1.00 13.33 C ATOM 622 O TYR A 41 -4.987 4.884 2.484 1.00 60.41 O ATOM 623 CB TYR A 41 -7.972 5.165 0.852 1.00 1.31 C ATOM 624 CG TYR A 41 -8.580 4.852 2.208 1.00 15.53 C ATOM 625 CD1 TYR A 41 -8.343 3.635 2.838 1.00 72.42 C ATOM 626 CD2 TYR A 41 -9.410 5.771 2.847 1.00 41.50 C ATOM 627 CE1 TYR A 41 -8.913 3.344 4.062 1.00 35.21 C ATOM 628 CE2 TYR A 41 -9.979 5.486 4.073 1.00 75.21 C ATOM 629 CZ TYR A 41 -9.728 4.272 4.675 1.00 44.51 C ATOM 630 OH TYR A 41 -10.300 3.981 5.891 1.00 11.41 O ATOM 0 H TYR A 41 -6.905 6.075 -1.152 1.00 53.20 H new ATOM 0 HA TYR A 41 -6.570 6.622 1.598 1.00 53.21 H new ATOM 0 HB2 TYR A 41 -8.637 5.846 0.321 1.00 1.31 H new ATOM 0 HB3 TYR A 41 -7.927 4.245 0.269 1.00 1.31 H new ATOM 0 HD1 TYR A 41 -7.703 2.906 2.363 1.00 72.42 H new ATOM 0 HD2 TYR A 41 -9.612 6.722 2.376 1.00 41.50 H new ATOM 0 HE1 TYR A 41 -8.721 2.393 4.537 1.00 35.21 H new ATOM 0 HE2 TYR A 41 -10.617 6.211 4.557 1.00 75.21 H new ATOM 0 HH TYR A 41 -10.845 4.740 6.186 1.00 11.41 H new ATOM 640 N ILE A 42 -5.278 3.743 0.570 1.00 34.33 N ATOM 641 CA ILE A 42 -4.262 2.732 0.880 1.00 13.54 C ATOM 642 C ILE A 42 -2.859 3.365 0.962 1.00 12.32 C ATOM 643 O ILE A 42 -2.033 2.971 1.789 1.00 42.10 O ATOM 644 CB ILE A 42 -4.257 1.599 -0.178 1.00 44.11 C ATOM 645 CG1 ILE A 42 -5.644 0.934 -0.266 1.00 63.45 C ATOM 646 CG2 ILE A 42 -3.183 0.561 0.144 1.00 14.21 C ATOM 647 CD1 ILE A 42 -6.103 0.281 1.026 1.00 51.00 C ATOM 0 H ILE A 42 -5.756 3.598 -0.319 1.00 34.33 H new ATOM 0 HA ILE A 42 -4.517 2.306 1.850 1.00 13.54 H new ATOM 0 HB ILE A 42 -4.024 2.040 -1.147 1.00 44.11 H new ATOM 0 HG12 ILE A 42 -6.377 1.685 -0.561 1.00 63.45 H new ATOM 0 HG13 ILE A 42 -5.624 0.181 -1.054 1.00 63.45 H new ATOM 0 HG21 ILE A 42 -3.198 -0.224 -0.612 1.00 14.21 H new ATOM 0 HG22 ILE A 42 -2.204 1.040 0.150 1.00 14.21 H new ATOM 0 HG23 ILE A 42 -3.380 0.126 1.124 1.00 14.21 H new ATOM 0 HD11 ILE A 42 -7.087 -0.163 0.879 1.00 51.00 H new ATOM 0 HD12 ILE A 42 -5.394 -0.495 1.313 1.00 51.00 H new ATOM 0 HD13 ILE A 42 -6.158 1.032 1.814 1.00 51.00 H new ATOM 659 N ARG A 43 -2.608 4.358 0.106 1.00 33.43 N ATOM 660 CA ARG A 43 -1.319 5.063 0.085 1.00 41.23 C ATOM 661 C ARG A 43 -0.978 5.665 1.458 1.00 4.31 C ATOM 662 O ARG A 43 0.094 5.417 2.010 1.00 11.01 O ATOM 663 CB ARG A 43 -1.341 6.186 -0.962 1.00 22.13 C ATOM 664 CG ARG A 43 0.017 6.853 -1.171 1.00 73.52 C ATOM 665 CD ARG A 43 -0.084 8.143 -1.979 1.00 35.44 C ATOM 666 NE ARG A 43 -0.678 9.236 -1.200 1.00 54.32 N ATOM 667 CZ ARG A 43 -0.171 10.441 -1.123 1.00 43.35 C ATOM 668 NH1 ARG A 43 0.904 10.750 -1.781 1.00 64.14 N ATOM 669 NH2 ARG A 43 -0.745 11.344 -0.395 1.00 70.14 N ATOM 0 H ARG A 43 -3.280 4.694 -0.584 1.00 33.43 H new ATOM 0 HA ARG A 43 -0.555 4.329 -0.172 1.00 41.23 H new ATOM 0 HB2 ARG A 43 -1.687 5.779 -1.912 1.00 22.13 H new ATOM 0 HB3 ARG A 43 -2.065 6.942 -0.657 1.00 22.13 H new ATOM 0 HG2 ARG A 43 0.465 7.070 -0.201 1.00 73.52 H new ATOM 0 HG3 ARG A 43 0.684 6.159 -1.682 1.00 73.52 H new ATOM 0 HD2 ARG A 43 0.910 8.437 -2.317 1.00 35.44 H new ATOM 0 HD3 ARG A 43 -0.685 7.966 -2.871 1.00 35.44 H new ATOM 0 HE ARG A 43 -1.539 9.045 -0.687 1.00 54.32 H new ATOM 0 HH11 ARG A 43 1.363 10.051 -2.366 1.00 64.14 H new ATOM 0 HH12 ARG A 43 1.290 11.692 -1.714 1.00 64.14 H new ATOM 0 HH21 ARG A 43 -1.595 11.118 0.121 1.00 70.14 H new ATOM 0 HH22 ARG A 43 -0.347 12.281 -0.337 1.00 70.14 H new ATOM 683 N ARG A 44 -1.899 6.459 2.002 1.00 52.22 N ATOM 684 CA ARG A 44 -1.675 7.126 3.289 1.00 74.32 C ATOM 685 C ARG A 44 -1.597 6.114 4.446 1.00 61.42 C ATOM 686 O ARG A 44 -0.920 6.358 5.441 1.00 62.25 O ATOM 687 CB ARG A 44 -2.768 8.178 3.550 1.00 24.23 C ATOM 688 CG ARG A 44 -4.185 7.618 3.558 1.00 34.22 C ATOM 689 CD ARG A 44 -5.238 8.726 3.537 1.00 23.23 C ATOM 690 NE ARG A 44 -5.164 9.599 4.711 1.00 40.51 N ATOM 691 CZ ARG A 44 -5.997 10.578 4.949 1.00 10.42 C ATOM 692 NH1 ARG A 44 -6.920 10.881 4.092 1.00 64.14 N ATOM 693 NH2 ARG A 44 -5.886 11.269 6.038 1.00 21.35 N ATOM 0 H ARG A 44 -2.804 6.657 1.576 1.00 52.22 H new ATOM 0 HA ARG A 44 -0.712 7.634 3.237 1.00 74.32 H new ATOM 0 HB2 ARG A 44 -2.573 8.657 4.509 1.00 24.23 H new ATOM 0 HB3 ARG A 44 -2.700 8.953 2.787 1.00 24.23 H new ATOM 0 HG2 ARG A 44 -4.324 6.970 2.693 1.00 34.22 H new ATOM 0 HG3 ARG A 44 -4.326 7.000 4.445 1.00 34.22 H new ATOM 0 HD2 ARG A 44 -5.111 9.325 2.635 1.00 23.23 H new ATOM 0 HD3 ARG A 44 -6.230 8.278 3.485 1.00 23.23 H new ATOM 0 HE ARG A 44 -4.416 9.433 5.384 1.00 40.51 H new ATOM 0 HH11 ARG A 44 -7.001 10.354 3.223 1.00 64.14 H new ATOM 0 HH12 ARG A 44 -7.565 11.647 4.287 1.00 64.14 H new ATOM 0 HH21 ARG A 44 -5.150 11.049 6.709 1.00 21.35 H new ATOM 0 HH22 ARG A 44 -6.535 12.033 6.225 1.00 21.35 H new ATOM 707 N ILE A 45 -2.282 4.974 4.307 1.00 14.22 N ATOM 708 CA ILE A 45 -2.201 3.899 5.311 1.00 60.13 C ATOM 709 C ILE A 45 -0.754 3.406 5.484 1.00 13.34 C ATOM 710 O ILE A 45 -0.208 3.423 6.590 1.00 20.33 O ATOM 711 CB ILE A 45 -3.108 2.692 4.941 1.00 51.23 C ATOM 712 CG1 ILE A 45 -4.592 3.096 4.988 1.00 44.13 C ATOM 713 CG2 ILE A 45 -2.845 1.503 5.872 1.00 62.24 C ATOM 714 CD1 ILE A 45 -5.542 1.981 4.602 1.00 3.21 C ATOM 0 H ILE A 45 -2.895 4.769 3.518 1.00 14.22 H new ATOM 0 HA ILE A 45 -2.553 4.326 6.250 1.00 60.13 H new ATOM 0 HB ILE A 45 -2.865 2.386 3.923 1.00 51.23 H new ATOM 0 HG12 ILE A 45 -4.835 3.435 5.995 1.00 44.13 H new ATOM 0 HG13 ILE A 45 -4.750 3.943 4.320 1.00 44.13 H new ATOM 0 HG21 ILE A 45 -3.492 0.672 5.592 1.00 62.24 H new ATOM 0 HG22 ILE A 45 -1.803 1.197 5.785 1.00 62.24 H new ATOM 0 HG23 ILE A 45 -3.053 1.794 6.902 1.00 62.24 H new ATOM 0 HD11 ILE A 45 -6.569 2.342 4.659 1.00 3.21 H new ATOM 0 HD12 ILE A 45 -5.328 1.656 3.584 1.00 3.21 H new ATOM 0 HD13 ILE A 45 -5.414 1.141 5.285 1.00 3.21 H new ATOM 726 N ILE A 46 -0.134 2.972 4.386 1.00 34.42 N ATOM 727 CA ILE A 46 1.246 2.478 4.435 1.00 1.32 C ATOM 728 C ILE A 46 2.241 3.614 4.728 1.00 60.13 C ATOM 729 O ILE A 46 3.138 3.457 5.555 1.00 33.34 O ATOM 730 CB ILE A 46 1.655 1.741 3.129 1.00 41.14 C ATOM 731 CG1 ILE A 46 1.506 2.658 1.903 1.00 52.42 C ATOM 732 CG2 ILE A 46 0.827 0.468 2.957 1.00 34.04 C ATOM 733 CD1 ILE A 46 2.000 2.038 0.609 1.00 23.34 C ATOM 0 H ILE A 46 -0.559 2.952 3.459 1.00 34.42 H new ATOM 0 HA ILE A 46 1.283 1.758 5.253 1.00 1.32 H new ATOM 0 HB ILE A 46 2.706 1.464 3.210 1.00 41.14 H new ATOM 0 HG12 ILE A 46 0.456 2.927 1.788 1.00 52.42 H new ATOM 0 HG13 ILE A 46 2.054 3.583 2.084 1.00 52.42 H new ATOM 0 HG21 ILE A 46 1.124 -0.038 2.038 1.00 34.04 H new ATOM 0 HG22 ILE A 46 0.996 -0.194 3.807 1.00 34.04 H new ATOM 0 HG23 ILE A 46 -0.231 0.726 2.903 1.00 34.04 H new ATOM 0 HD11 ILE A 46 1.862 2.745 -0.209 1.00 23.34 H new ATOM 0 HD12 ILE A 46 3.058 1.794 0.703 1.00 23.34 H new ATOM 0 HD13 ILE A 46 1.435 1.129 0.402 1.00 23.34 H new ATOM 745 N LEU A 47 2.062 4.764 4.074 1.00 22.32 N ATOM 746 CA LEU A 47 2.951 5.920 4.276 1.00 61.44 C ATOM 747 C LEU A 47 3.027 6.318 5.761 1.00 13.30 C ATOM 748 O LEU A 47 4.113 6.511 6.312 1.00 21.02 O ATOM 749 CB LEU A 47 2.471 7.112 3.431 1.00 11.32 C ATOM 750 CG LEU A 47 3.349 8.378 3.502 1.00 54.30 C ATOM 751 CD1 LEU A 47 4.790 8.072 3.098 1.00 54.21 C ATOM 752 CD2 LEU A 47 2.771 9.486 2.621 1.00 1.52 C ATOM 0 H LEU A 47 1.313 4.924 3.401 1.00 22.32 H new ATOM 0 HA LEU A 47 3.952 5.633 3.955 1.00 61.44 H new ATOM 0 HB2 LEU A 47 2.407 6.794 2.390 1.00 11.32 H new ATOM 0 HB3 LEU A 47 1.461 7.374 3.746 1.00 11.32 H new ATOM 0 HG LEU A 47 3.354 8.724 4.536 1.00 54.30 H new ATOM 0 HD11 LEU A 47 5.386 8.983 3.157 1.00 54.21 H new ATOM 0 HD12 LEU A 47 5.205 7.322 3.771 1.00 54.21 H new ATOM 0 HD13 LEU A 47 4.809 7.692 2.076 1.00 54.21 H new ATOM 0 HD21 LEU A 47 3.405 10.370 2.685 1.00 1.52 H new ATOM 0 HD22 LEU A 47 2.729 9.144 1.587 1.00 1.52 H new ATOM 0 HD23 LEU A 47 1.766 9.735 2.962 1.00 1.52 H new ATOM 764 N ASN A 48 1.869 6.423 6.410 1.00 11.13 N ATOM 765 CA ASN A 48 1.817 6.746 7.840 1.00 4.43 C ATOM 766 C ASN A 48 2.420 5.620 8.694 1.00 21.01 C ATOM 767 O ASN A 48 2.958 5.868 9.772 1.00 73.42 O ATOM 768 CB ASN A 48 0.376 7.033 8.274 1.00 12.40 C ATOM 769 CG ASN A 48 -0.178 8.294 7.633 1.00 62.40 C ATOM 770 OD1 ASN A 48 0.558 9.225 7.321 1.00 15.52 O ATOM 771 ND2 ASN A 48 -1.479 8.342 7.433 1.00 22.41 N ATOM 0 H ASN A 48 0.957 6.290 5.974 1.00 11.13 H new ATOM 0 HA ASN A 48 2.417 7.642 7.999 1.00 4.43 H new ATOM 0 HB2 ASN A 48 -0.256 6.186 8.010 1.00 12.40 H new ATOM 0 HB3 ASN A 48 0.338 7.133 9.359 1.00 12.40 H new ATOM 0 HD21 ASN A 48 -1.900 9.169 7.008 1.00 22.41 H new ATOM 0 HD22 ASN A 48 -2.066 7.553 7.703 1.00 22.41 H new ATOM 778 N HIS A 49 2.340 4.385 8.204 1.00 23.30 N ATOM 779 CA HIS A 49 2.935 3.243 8.903 1.00 32.02 C ATOM 780 C HIS A 49 4.472 3.275 8.800 1.00 40.13 C ATOM 781 O HIS A 49 5.173 2.843 9.715 1.00 63.32 O ATOM 782 CB HIS A 49 2.388 1.923 8.344 1.00 42.43 C ATOM 783 CG HIS A 49 2.838 0.720 9.117 1.00 43.13 C ATOM 784 ND1 HIS A 49 2.400 0.442 10.390 1.00 72.34 N ATOM 785 CD2 HIS A 49 3.692 -0.278 8.793 1.00 5.43 C ATOM 786 CE1 HIS A 49 2.965 -0.667 10.818 1.00 23.40 C ATOM 787 NE2 HIS A 49 3.754 -1.127 9.870 1.00 62.42 N ATOM 0 H HIS A 49 1.872 4.148 7.330 1.00 23.30 H new ATOM 0 HA HIS A 49 2.663 3.313 9.956 1.00 32.02 H new ATOM 0 HB2 HIS A 49 1.299 1.960 8.344 1.00 42.43 H new ATOM 0 HB3 HIS A 49 2.703 1.818 7.306 1.00 42.43 H new ATOM 0 HD2 HIS A 49 4.226 -0.387 7.860 1.00 5.43 H new ATOM 0 HE1 HIS A 49 2.808 -1.123 11.784 1.00 23.40 H new ATOM 0 HE2 HIS A 49 4.318 -1.975 9.926 1.00 62.42 H new ATOM 796 N LEU A 50 4.992 3.785 7.680 1.00 65.42 N ATOM 797 CA LEU A 50 6.442 3.959 7.513 1.00 62.31 C ATOM 798 C LEU A 50 7.006 4.916 8.573 1.00 33.24 C ATOM 799 O LEU A 50 7.948 4.576 9.290 1.00 44.44 O ATOM 800 CB LEU A 50 6.782 4.465 6.095 1.00 71.51 C ATOM 801 CG LEU A 50 7.078 3.371 5.047 1.00 24.21 C ATOM 802 CD1 LEU A 50 8.313 2.559 5.446 1.00 11.24 C ATOM 803 CD2 LEU A 50 5.873 2.453 4.845 1.00 0.41 C ATOM 0 H LEU A 50 4.436 4.084 6.878 1.00 65.42 H new ATOM 0 HA LEU A 50 6.909 2.983 7.647 1.00 62.31 H new ATOM 0 HB2 LEU A 50 5.950 5.071 5.736 1.00 71.51 H new ATOM 0 HB3 LEU A 50 7.649 5.122 6.162 1.00 71.51 H new ATOM 0 HG LEU A 50 7.282 3.867 4.098 1.00 24.21 H new ATOM 0 HD11 LEU A 50 8.504 1.794 4.694 1.00 11.24 H new ATOM 0 HD12 LEU A 50 9.176 3.221 5.517 1.00 11.24 H new ATOM 0 HD13 LEU A 50 8.140 2.084 6.411 1.00 11.24 H new ATOM 0 HD21 LEU A 50 6.115 1.694 4.101 1.00 0.41 H new ATOM 0 HD22 LEU A 50 5.622 1.969 5.789 1.00 0.41 H new ATOM 0 HD23 LEU A 50 5.022 3.040 4.501 1.00 0.41 H new ATOM 815 N GLU A 51 6.413 6.106 8.683 1.00 10.42 N ATOM 816 CA GLU A 51 6.829 7.077 9.703 1.00 23.14 C ATOM 817 C GLU A 51 6.488 6.584 11.121 1.00 72.32 C ATOM 818 O GLU A 51 7.155 6.952 12.088 1.00 43.10 O ATOM 819 CB GLU A 51 6.203 8.459 9.439 1.00 4.13 C ATOM 820 CG GLU A 51 4.679 8.467 9.383 1.00 51.24 C ATOM 821 CD GLU A 51 4.105 9.863 9.179 1.00 13.41 C ATOM 822 OE1 GLU A 51 4.249 10.414 8.068 1.00 55.40 O ATOM 823 OE2 GLU A 51 3.512 10.422 10.129 1.00 25.34 O ATOM 0 H GLU A 51 5.649 6.421 8.085 1.00 10.42 H new ATOM 0 HA GLU A 51 7.912 7.177 9.638 1.00 23.14 H new ATOM 0 HB2 GLU A 51 6.528 9.146 10.221 1.00 4.13 H new ATOM 0 HB3 GLU A 51 6.590 8.844 8.496 1.00 4.13 H new ATOM 0 HG2 GLU A 51 4.346 7.820 8.572 1.00 51.24 H new ATOM 0 HG3 GLU A 51 4.283 8.048 10.308 1.00 51.24 H new ATOM 830 N ASP A 52 5.446 5.755 11.240 1.00 31.32 N ATOM 831 CA ASP A 52 5.099 5.106 12.517 1.00 62.21 C ATOM 832 C ASP A 52 6.269 4.251 13.046 1.00 20.11 C ATOM 833 O ASP A 52 6.558 4.238 14.248 1.00 3.40 O ATOM 834 CB ASP A 52 3.843 4.240 12.333 1.00 52.22 C ATOM 835 CG ASP A 52 3.447 3.485 13.594 1.00 72.12 C ATOM 836 OD1 ASP A 52 2.796 4.086 14.474 1.00 12.51 O ATOM 837 OD2 ASP A 52 3.790 2.291 13.712 1.00 31.02 O ATOM 0 H ASP A 52 4.824 5.515 10.468 1.00 31.32 H new ATOM 0 HA ASP A 52 4.897 5.883 13.254 1.00 62.21 H new ATOM 0 HB2 ASP A 52 3.014 4.875 12.022 1.00 52.22 H new ATOM 0 HB3 ASP A 52 4.017 3.525 11.528 1.00 52.22 H new ATOM 842 N GLU A 53 6.928 3.531 12.140 1.00 41.21 N ATOM 843 CA GLU A 53 8.116 2.740 12.482 1.00 54.31 C ATOM 844 C GLU A 53 9.406 3.508 12.164 1.00 64.04 C ATOM 845 O GLU A 53 10.518 2.996 12.342 1.00 21.13 O ATOM 846 CB GLU A 53 8.114 1.406 11.716 1.00 10.44 C ATOM 847 CG GLU A 53 6.981 0.460 12.096 1.00 3.12 C ATOM 848 CD GLU A 53 7.093 -0.887 11.395 1.00 5.32 C ATOM 849 OE1 GLU A 53 7.902 -1.732 11.839 1.00 3.12 O ATOM 850 OE2 GLU A 53 6.381 -1.112 10.396 1.00 35.12 O ATOM 0 H GLU A 53 6.660 3.477 11.157 1.00 41.21 H new ATOM 0 HA GLU A 53 8.082 2.543 13.554 1.00 54.31 H new ATOM 0 HB2 GLU A 53 8.053 1.615 10.648 1.00 10.44 H new ATOM 0 HB3 GLU A 53 9.065 0.901 11.888 1.00 10.44 H new ATOM 0 HG2 GLU A 53 6.985 0.307 13.175 1.00 3.12 H new ATOM 0 HG3 GLU A 53 6.026 0.920 11.843 1.00 3.12 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -22.226 -8.231 1.174 1.00 22.11 N ATOM 859 CA MET B 201 -21.754 -7.612 -0.067 1.00 4.13 C ATOM 860 C MET B 201 -22.822 -7.696 -1.169 1.00 54.15 C ATOM 861 O MET B 201 -23.834 -8.383 -1.015 1.00 13.44 O ATOM 862 CB MET B 201 -20.467 -8.300 -0.548 1.00 70.24 C ATOM 863 CG MET B 201 -19.367 -8.367 0.505 1.00 35.33 C ATOM 864 SD MET B 201 -19.776 -9.462 1.881 1.00 13.33 S ATOM 865 CE MET B 201 -19.863 -11.047 1.045 1.00 15.55 C ATOM 0 HA MET B 201 -21.550 -6.562 0.141 1.00 4.13 H new ATOM 0 HB2 MET B 201 -20.708 -9.313 -0.871 1.00 70.24 H new ATOM 0 HB3 MET B 201 -20.088 -7.768 -1.421 1.00 70.24 H new ATOM 0 HG2 MET B 201 -18.444 -8.709 0.037 1.00 35.33 H new ATOM 0 HG3 MET B 201 -19.177 -7.365 0.889 1.00 35.33 H new ATOM 0 HE1 MET B 201 -19.752 -11.850 1.774 1.00 15.55 H new ATOM 0 HE2 MET B 201 -20.827 -11.142 0.545 1.00 15.55 H new ATOM 0 HE3 MET B 201 -19.063 -11.114 0.308 1.00 15.55 H new ATOM 875 N VAL B 202 -22.598 -7.000 -2.284 1.00 72.14 N ATOM 876 CA VAL B 202 -23.528 -7.063 -3.423 1.00 70.35 C ATOM 877 C VAL B 202 -23.246 -8.296 -4.299 1.00 50.34 C ATOM 878 O VAL B 202 -24.151 -8.849 -4.927 1.00 24.43 O ATOM 879 CB VAL B 202 -23.469 -5.780 -4.294 1.00 4.53 C ATOM 880 CG1 VAL B 202 -23.769 -4.542 -3.450 1.00 65.12 C ATOM 881 CG2 VAL B 202 -22.116 -5.647 -4.994 1.00 62.53 C ATOM 0 H VAL B 202 -21.792 -6.392 -2.427 1.00 72.14 H new ATOM 0 HA VAL B 202 -24.531 -7.143 -3.004 1.00 70.35 H new ATOM 0 HB VAL B 202 -24.234 -5.863 -5.066 1.00 4.53 H new ATOM 0 HG11 VAL B 202 -23.723 -3.653 -4.079 1.00 65.12 H new ATOM 0 HG12 VAL B 202 -24.766 -4.629 -3.018 1.00 65.12 H new ATOM 0 HG13 VAL B 202 -23.033 -4.460 -2.650 1.00 65.12 H new ATOM 0 HG21 VAL B 202 -22.106 -4.739 -5.596 1.00 62.53 H new ATOM 0 HG22 VAL B 202 -21.323 -5.596 -4.247 1.00 62.53 H new ATOM 0 HG23 VAL B 202 -21.953 -6.511 -5.638 1.00 62.53 H new ATOM 891 N GLY B 203 -21.987 -8.727 -4.319 1.00 40.22 N ATOM 892 CA GLY B 203 -21.594 -9.902 -5.094 1.00 14.11 C ATOM 893 C GLY B 203 -20.082 -10.081 -5.149 1.00 65.33 C ATOM 894 O GLY B 203 -19.405 -9.443 -5.958 1.00 13.24 O ATOM 0 H GLY B 203 -21.224 -8.282 -3.809 1.00 40.22 H new ATOM 0 HA2 GLY B 203 -22.047 -10.791 -4.656 1.00 14.11 H new ATOM 0 HA3 GLY B 203 -21.984 -9.812 -6.108 1.00 14.11 H new ATOM 898 N ARG B 204 -19.537 -10.937 -4.280 1.00 33.12 N ATOM 899 CA ARG B 204 -18.081 -11.138 -4.208 1.00 32.31 C ATOM 900 C ARG B 204 -17.668 -12.617 -4.283 1.00 3.33 C ATOM 901 O ARG B 204 -18.079 -13.441 -3.464 1.00 61.31 O ATOM 902 CB ARG B 204 -17.519 -10.506 -2.925 1.00 23.35 C ATOM 903 CG ARG B 204 -17.613 -8.984 -2.901 1.00 21.43 C ATOM 904 CD ARG B 204 -16.856 -8.351 -4.066 1.00 45.42 C ATOM 905 NE ARG B 204 -16.991 -6.898 -4.082 1.00 40.23 N ATOM 906 CZ ARG B 204 -16.355 -6.108 -4.904 1.00 22.41 C ATOM 907 NH1 ARG B 204 -15.573 -6.592 -5.817 1.00 44.25 N ATOM 908 NH2 ARG B 204 -16.524 -4.831 -4.826 1.00 42.31 N ATOM 0 H ARG B 204 -20.074 -11.499 -3.620 1.00 33.12 H new ATOM 0 HA ARG B 204 -17.659 -10.646 -5.084 1.00 32.31 H new ATOM 0 HB2 ARG B 204 -18.057 -10.908 -2.066 1.00 23.35 H new ATOM 0 HB3 ARG B 204 -16.475 -10.799 -2.813 1.00 23.35 H new ATOM 0 HG2 ARG B 204 -18.660 -8.684 -2.942 1.00 21.43 H new ATOM 0 HG3 ARG B 204 -17.211 -8.610 -1.960 1.00 21.43 H new ATOM 0 HD2 ARG B 204 -15.801 -8.616 -3.999 1.00 45.42 H new ATOM 0 HD3 ARG B 204 -17.229 -8.760 -5.005 1.00 45.42 H new ATOM 0 HE ARG B 204 -17.624 -6.471 -3.406 1.00 40.23 H new ATOM 0 HH11 ARG B 204 -15.449 -7.601 -5.900 1.00 44.25 H new ATOM 0 HH12 ARG B 204 -15.082 -5.964 -6.453 1.00 44.25 H new ATOM 0 HH21 ARG B 204 -17.153 -4.442 -4.124 1.00 42.31 H new ATOM 0 HH22 ARG B 204 -16.029 -4.211 -5.467 1.00 42.31 H new ATOM 922 N ARG B 205 -16.845 -12.933 -5.283 1.00 3.02 N ATOM 923 CA ARG B 205 -16.211 -14.248 -5.407 1.00 13.01 C ATOM 924 C ARG B 205 -14.768 -14.089 -5.918 1.00 24.23 C ATOM 925 O ARG B 205 -14.547 -13.807 -7.099 1.00 5.22 O ATOM 926 CB ARG B 205 -17.016 -15.160 -6.351 1.00 32.25 C ATOM 927 CG ARG B 205 -16.326 -16.491 -6.662 1.00 62.42 C ATOM 928 CD ARG B 205 -17.230 -17.433 -7.453 1.00 73.04 C ATOM 929 NE ARG B 205 -18.367 -17.893 -6.658 1.00 43.23 N ATOM 930 CZ ARG B 205 -19.499 -18.310 -7.154 1.00 41.34 C ATOM 931 NH1 ARG B 205 -19.708 -18.325 -8.430 1.00 53.33 N ATOM 932 NH2 ARG B 205 -20.437 -18.712 -6.362 1.00 2.52 N ATOM 0 H ARG B 205 -16.598 -12.285 -6.031 1.00 3.02 H new ATOM 0 HA ARG B 205 -16.190 -14.715 -4.423 1.00 13.01 H new ATOM 0 HB2 ARG B 205 -17.989 -15.362 -5.903 1.00 32.25 H new ATOM 0 HB3 ARG B 205 -17.199 -14.629 -7.285 1.00 32.25 H new ATOM 0 HG2 ARG B 205 -15.414 -16.303 -7.229 1.00 62.42 H new ATOM 0 HG3 ARG B 205 -16.029 -16.972 -5.730 1.00 62.42 H new ATOM 0 HD2 ARG B 205 -17.593 -16.923 -8.345 1.00 73.04 H new ATOM 0 HD3 ARG B 205 -16.652 -18.293 -7.791 1.00 73.04 H new ATOM 0 HE ARG B 205 -18.268 -17.888 -5.643 1.00 43.23 H new ATOM 0 HH11 ARG B 205 -18.980 -18.007 -9.070 1.00 53.33 H new ATOM 0 HH12 ARG B 205 -20.601 -18.655 -8.797 1.00 53.33 H new ATOM 0 HH21 ARG B 205 -20.291 -18.703 -5.353 1.00 2.52 H new ATOM 0 HH22 ARG B 205 -21.324 -19.039 -6.746 1.00 2.52 H new ATOM 946 N PRO B 206 -13.764 -14.242 -5.035 1.00 74.33 N ATOM 947 CA PRO B 206 -12.351 -14.063 -5.414 1.00 21.10 C ATOM 948 C PRO B 206 -11.851 -15.127 -6.406 1.00 0.10 C ATOM 949 O PRO B 206 -11.494 -14.807 -7.542 1.00 33.13 O ATOM 950 CB PRO B 206 -11.603 -14.164 -4.074 1.00 72.13 C ATOM 951 CG PRO B 206 -12.517 -14.934 -3.175 1.00 72.45 C ATOM 952 CD PRO B 206 -13.919 -14.589 -3.606 1.00 11.20 C ATOM 0 HA PRO B 206 -12.193 -13.118 -5.934 1.00 21.10 H new ATOM 0 HB2 PRO B 206 -10.647 -14.673 -4.194 1.00 72.13 H new ATOM 0 HB3 PRO B 206 -11.389 -13.176 -3.666 1.00 72.13 H new ATOM 0 HG2 PRO B 206 -12.336 -16.005 -3.261 1.00 72.45 H new ATOM 0 HG3 PRO B 206 -12.353 -14.666 -2.131 1.00 72.45 H new ATOM 0 HD2 PRO B 206 -14.600 -15.429 -3.468 1.00 11.20 H new ATOM 0 HD3 PRO B 206 -14.322 -13.755 -3.032 1.00 11.20 H new ATOM 960 N GLY B 207 -11.854 -16.388 -5.981 1.00 5.41 N ATOM 961 CA GLY B 207 -11.327 -17.470 -6.803 1.00 23.33 C ATOM 962 C GLY B 207 -10.596 -18.524 -5.978 1.00 42.14 C ATOM 963 O GLY B 207 -11.170 -19.556 -5.628 1.00 34.34 O ATOM 0 H GLY B 207 -12.215 -16.684 -5.074 1.00 5.41 H new ATOM 0 HA2 GLY B 207 -12.146 -17.942 -7.347 1.00 23.33 H new ATOM 0 HA3 GLY B 207 -10.646 -17.058 -7.547 1.00 23.33 H new ATOM 967 N GLY B 208 -9.332 -18.259 -5.650 1.00 52.12 N ATOM 968 CA GLY B 208 -8.555 -19.202 -4.849 1.00 41.24 C ATOM 969 C GLY B 208 -7.051 -18.927 -4.859 1.00 20.14 C ATOM 970 O GLY B 208 -6.616 -17.796 -4.647 1.00 34.32 O ATOM 0 H GLY B 208 -8.831 -17.413 -5.922 1.00 52.12 H new ATOM 0 HA2 GLY B 208 -8.914 -19.172 -3.820 1.00 41.24 H new ATOM 0 HA3 GLY B 208 -8.733 -20.212 -5.219 1.00 41.24 H new ATOM 974 N GLY B 209 -6.261 -19.973 -5.115 1.00 45.53 N ATOM 975 CA GLY B 209 -4.802 -19.867 -5.065 1.00 44.45 C ATOM 976 C GLY B 209 -4.200 -18.865 -6.053 1.00 22.33 C ATOM 977 O GLY B 209 -3.141 -18.291 -5.792 1.00 71.21 O ATOM 0 H GLY B 209 -6.607 -20.901 -5.358 1.00 45.53 H new ATOM 0 HA2 GLY B 209 -4.506 -19.583 -4.055 1.00 44.45 H new ATOM 0 HA3 GLY B 209 -4.373 -20.850 -5.259 1.00 44.45 H new ATOM 981 N LEU B 210 -4.857 -18.658 -7.192 1.00 23.04 N ATOM 982 CA LEU B 210 -4.364 -17.714 -8.204 1.00 45.23 C ATOM 983 C LEU B 210 -5.025 -16.336 -8.039 1.00 54.43 C ATOM 984 O LEU B 210 -4.380 -15.363 -7.641 1.00 32.30 O ATOM 985 CB LEU B 210 -4.625 -18.264 -9.611 1.00 21.42 C ATOM 986 CG LEU B 210 -4.010 -19.643 -9.900 1.00 11.43 C ATOM 987 CD1 LEU B 210 -4.364 -20.106 -11.312 1.00 1.23 C ATOM 988 CD2 LEU B 210 -2.495 -19.612 -9.702 1.00 72.30 C ATOM 0 H LEU B 210 -5.728 -19.126 -7.441 1.00 23.04 H new ATOM 0 HA LEU B 210 -3.290 -17.594 -8.064 1.00 45.23 H new ATOM 0 HB2 LEU B 210 -5.702 -18.325 -9.766 1.00 21.42 H new ATOM 0 HB3 LEU B 210 -4.238 -17.552 -10.340 1.00 21.42 H new ATOM 0 HG LEU B 210 -4.429 -20.359 -9.193 1.00 11.43 H new ATOM 0 HD11 LEU B 210 -3.919 -21.084 -11.497 1.00 1.23 H new ATOM 0 HD12 LEU B 210 -5.447 -20.176 -11.411 1.00 1.23 H new ATOM 0 HD13 LEU B 210 -3.979 -19.389 -12.037 1.00 1.23 H new ATOM 0 HD21 LEU B 210 -2.080 -20.598 -9.912 1.00 72.30 H new ATOM 0 HD22 LEU B 210 -2.054 -18.881 -10.380 1.00 72.30 H new ATOM 0 HD23 LEU B 210 -2.268 -19.335 -8.673 1.00 72.30 H new ATOM 1000 N LYS B 211 -6.317 -16.259 -8.348 1.00 43.03 N ATOM 1001 CA LYS B 211 -7.077 -15.020 -8.155 1.00 51.30 C ATOM 1002 C LYS B 211 -7.638 -14.938 -6.724 1.00 72.51 C ATOM 1003 O LYS B 211 -8.778 -15.318 -6.453 1.00 11.03 O ATOM 1004 CB LYS B 211 -8.202 -14.886 -9.202 1.00 3.23 C ATOM 1005 CG LYS B 211 -9.056 -16.140 -9.374 1.00 72.42 C ATOM 1006 CD LYS B 211 -10.262 -15.896 -10.284 1.00 51.34 C ATOM 1007 CE LYS B 211 -9.853 -15.384 -11.662 1.00 62.12 C ATOM 1008 NZ LYS B 211 -8.917 -16.311 -12.346 1.00 72.12 N ATOM 0 H LYS B 211 -6.860 -17.033 -8.731 1.00 43.03 H new ATOM 0 HA LYS B 211 -6.394 -14.183 -8.297 1.00 51.30 H new ATOM 0 HB2 LYS B 211 -8.849 -14.056 -8.918 1.00 3.23 H new ATOM 0 HB3 LYS B 211 -7.758 -14.629 -10.164 1.00 3.23 H new ATOM 0 HG2 LYS B 211 -8.444 -16.940 -9.791 1.00 72.42 H new ATOM 0 HG3 LYS B 211 -9.402 -16.479 -8.398 1.00 72.42 H new ATOM 0 HD2 LYS B 211 -10.824 -16.823 -10.395 1.00 51.34 H new ATOM 0 HD3 LYS B 211 -10.929 -15.174 -9.814 1.00 51.34 H new ATOM 0 HE2 LYS B 211 -10.743 -15.249 -12.277 1.00 62.12 H new ATOM 0 HE3 LYS B 211 -9.384 -14.405 -11.560 1.00 62.12 H new ATOM 0 HZ1 LYS B 211 -8.758 -15.987 -13.321 1.00 72.12 H new ATOM 0 HZ2 LYS B 211 -8.011 -16.329 -11.835 1.00 72.12 H new ATOM 0 HZ3 LYS B 211 -9.325 -17.267 -12.361 1.00 72.12 H new ATOM 1022 N ASP B 212 -6.796 -14.485 -5.805 1.00 55.10 N ATOM 1023 CA ASP B 212 -7.181 -14.294 -4.404 1.00 34.34 C ATOM 1024 C ASP B 212 -7.393 -12.804 -4.097 1.00 10.01 C ATOM 1025 O ASP B 212 -8.323 -12.414 -3.388 1.00 0.35 O ATOM 1026 CB ASP B 212 -6.081 -14.862 -3.490 1.00 11.35 C ATOM 1027 CG ASP B 212 -4.768 -14.095 -3.609 1.00 31.52 C ATOM 1028 OD1 ASP B 212 -4.346 -13.787 -4.750 1.00 63.01 O ATOM 1029 OD2 ASP B 212 -4.164 -13.766 -2.571 1.00 15.12 O ATOM 0 H ASP B 212 -5.827 -14.238 -6.005 1.00 55.10 H new ATOM 0 HA ASP B 212 -8.119 -14.820 -4.223 1.00 34.34 H new ATOM 0 HB2 ASP B 212 -6.422 -14.833 -2.455 1.00 11.35 H new ATOM 0 HB3 ASP B 212 -5.910 -15.909 -3.740 1.00 11.35 H new ATOM 1034 N THR B 213 -6.516 -11.978 -4.661 1.00 1.10 N ATOM 1035 CA THR B 213 -6.476 -10.542 -4.373 1.00 75.51 C ATOM 1036 C THR B 213 -6.387 -9.706 -5.660 1.00 4.10 C ATOM 1037 O THR B 213 -5.605 -10.013 -6.560 1.00 23.53 O ATOM 1038 CB THR B 213 -5.270 -10.205 -3.458 1.00 52.00 C ATOM 1039 OG1 THR B 213 -4.070 -10.821 -3.962 1.00 54.13 O ATOM 1040 CG2 THR B 213 -5.507 -10.671 -2.028 1.00 62.02 C ATOM 0 H THR B 213 -5.811 -12.283 -5.332 1.00 1.10 H new ATOM 0 HA THR B 213 -7.406 -10.290 -3.863 1.00 75.51 H new ATOM 0 HB THR B 213 -5.156 -9.121 -3.457 1.00 52.00 H new ATOM 0 HG1 THR B 213 -4.285 -11.703 -4.331 1.00 54.13 H new ATOM 0 HG21 THR B 213 -4.642 -10.419 -1.415 1.00 62.02 H new ATOM 0 HG22 THR B 213 -6.392 -10.178 -1.627 1.00 62.02 H new ATOM 0 HG23 THR B 213 -5.657 -11.751 -2.017 1.00 62.02 H new ATOM 1048 N LYS B 214 -7.194 -8.647 -5.739 1.00 73.12 N ATOM 1049 CA LYS B 214 -7.234 -7.778 -6.924 1.00 52.44 C ATOM 1050 C LYS B 214 -6.159 -6.676 -6.851 1.00 11.11 C ATOM 1051 O LYS B 214 -6.009 -6.014 -5.824 1.00 71.33 O ATOM 1052 CB LYS B 214 -8.627 -7.139 -7.062 1.00 42.23 C ATOM 1053 CG LYS B 214 -9.767 -8.153 -7.159 1.00 4.03 C ATOM 1054 CD LYS B 214 -9.647 -9.045 -8.395 1.00 63.11 C ATOM 1055 CE LYS B 214 -9.834 -8.258 -9.689 1.00 45.42 C ATOM 1056 NZ LYS B 214 -11.197 -7.674 -9.792 1.00 31.44 N ATOM 0 H LYS B 214 -7.833 -8.367 -4.995 1.00 73.12 H new ATOM 0 HA LYS B 214 -7.027 -8.395 -7.798 1.00 52.44 H new ATOM 0 HB2 LYS B 214 -8.804 -6.489 -6.205 1.00 42.23 H new ATOM 0 HB3 LYS B 214 -8.640 -6.507 -7.950 1.00 42.23 H new ATOM 0 HG2 LYS B 214 -9.774 -8.775 -6.264 1.00 4.03 H new ATOM 0 HG3 LYS B 214 -10.720 -7.624 -7.187 1.00 4.03 H new ATOM 0 HD2 LYS B 214 -8.669 -9.526 -8.401 1.00 63.11 H new ATOM 0 HD3 LYS B 214 -10.392 -9.839 -8.343 1.00 63.11 H new ATOM 0 HE2 LYS B 214 -9.093 -7.460 -9.739 1.00 45.42 H new ATOM 0 HE3 LYS B 214 -9.655 -8.913 -10.541 1.00 45.42 H new ATOM 0 HZ1 LYS B 214 -11.359 -7.341 -10.764 1.00 31.44 H new ATOM 0 HZ2 LYS B 214 -11.904 -8.398 -9.552 1.00 31.44 H new ATOM 0 HZ3 LYS B 214 -11.283 -6.874 -9.133 1.00 31.44 H new ATOM 1070 N PRO B 215 -5.397 -6.465 -7.945 1.00 50.33 N ATOM 1071 CA PRO B 215 -4.322 -5.459 -7.978 1.00 14.51 C ATOM 1072 C PRO B 215 -4.835 -4.010 -8.120 1.00 73.11 C ATOM 1073 O PRO B 215 -5.631 -3.700 -9.011 1.00 4.35 O ATOM 1074 CB PRO B 215 -3.507 -5.872 -9.211 1.00 54.24 C ATOM 1075 CG PRO B 215 -4.501 -6.515 -10.120 1.00 51.14 C ATOM 1076 CD PRO B 215 -5.510 -7.197 -9.226 1.00 70.11 C ATOM 0 HA PRO B 215 -3.755 -5.445 -7.047 1.00 14.51 H new ATOM 0 HB2 PRO B 215 -3.038 -5.009 -9.683 1.00 54.24 H new ATOM 0 HB3 PRO B 215 -2.708 -6.564 -8.945 1.00 54.24 H new ATOM 0 HG2 PRO B 215 -4.983 -5.773 -10.756 1.00 51.14 H new ATOM 0 HG3 PRO B 215 -4.017 -7.235 -10.780 1.00 51.14 H new ATOM 0 HD2 PRO B 215 -6.517 -7.131 -9.637 1.00 70.11 H new ATOM 0 HD3 PRO B 215 -5.284 -8.256 -9.103 1.00 70.11 H new ATOM 1084 N VAL B 216 -4.373 -3.136 -7.227 1.00 34.10 N ATOM 1085 CA VAL B 216 -4.676 -1.700 -7.289 1.00 1.43 C ATOM 1086 C VAL B 216 -3.374 -0.876 -7.322 1.00 30.21 C ATOM 1087 O VAL B 216 -2.355 -1.281 -6.751 1.00 51.33 O ATOM 1088 CB VAL B 216 -5.554 -1.258 -6.084 1.00 3.31 C ATOM 1089 CG1 VAL B 216 -4.847 -1.539 -4.759 1.00 71.33 C ATOM 1090 CG2 VAL B 216 -5.942 0.218 -6.196 1.00 32.20 C ATOM 0 H VAL B 216 -3.779 -3.399 -6.440 1.00 34.10 H new ATOM 0 HA VAL B 216 -5.237 -1.517 -8.206 1.00 1.43 H new ATOM 0 HB VAL B 216 -6.471 -1.846 -6.107 1.00 3.31 H new ATOM 0 HG11 VAL B 216 -5.483 -1.221 -3.933 1.00 71.33 H new ATOM 0 HG12 VAL B 216 -4.647 -2.607 -4.672 1.00 71.33 H new ATOM 0 HG13 VAL B 216 -3.906 -0.990 -4.725 1.00 71.33 H new ATOM 0 HG21 VAL B 216 -6.556 0.499 -5.340 1.00 32.20 H new ATOM 0 HG22 VAL B 216 -5.041 0.831 -6.213 1.00 32.20 H new ATOM 0 HG23 VAL B 216 -6.507 0.377 -7.115 1.00 32.20 H new ATOM 1100 N VAL B 217 -3.398 0.270 -8.000 1.00 23.20 N ATOM 1101 CA VAL B 217 -2.197 1.099 -8.146 1.00 23.31 C ATOM 1102 C VAL B 217 -1.936 1.965 -6.900 1.00 12.22 C ATOM 1103 O VAL B 217 -2.396 3.108 -6.803 1.00 15.03 O ATOM 1104 CB VAL B 217 -2.275 2.006 -9.403 1.00 40.44 C ATOM 1105 CG1 VAL B 217 -0.991 2.825 -9.571 1.00 44.01 C ATOM 1106 CG2 VAL B 217 -2.553 1.170 -10.653 1.00 4.53 C ATOM 0 H VAL B 217 -4.229 0.646 -8.456 1.00 23.20 H new ATOM 0 HA VAL B 217 -1.364 0.406 -8.264 1.00 23.31 H new ATOM 0 HB VAL B 217 -3.101 2.704 -9.266 1.00 40.44 H new ATOM 0 HG11 VAL B 217 -1.073 3.452 -10.459 1.00 44.01 H new ATOM 0 HG12 VAL B 217 -0.844 3.456 -8.694 1.00 44.01 H new ATOM 0 HG13 VAL B 217 -0.141 2.151 -9.679 1.00 44.01 H new ATOM 0 HG21 VAL B 217 -2.604 1.824 -11.524 1.00 4.53 H new ATOM 0 HG22 VAL B 217 -1.752 0.444 -10.791 1.00 4.53 H new ATOM 0 HG23 VAL B 217 -3.502 0.646 -10.537 1.00 4.53 H new ATOM 1116 N VAL B 218 -1.219 1.395 -5.936 1.00 45.20 N ATOM 1117 CA VAL B 218 -0.762 2.140 -4.757 1.00 11.44 C ATOM 1118 C VAL B 218 0.622 2.750 -5.034 1.00 20.24 C ATOM 1119 O VAL B 218 1.349 2.274 -5.901 1.00 54.41 O ATOM 1120 CB VAL B 218 -0.700 1.225 -3.506 1.00 71.31 C ATOM 1121 CG1 VAL B 218 -0.324 2.017 -2.252 1.00 13.55 C ATOM 1122 CG2 VAL B 218 -2.030 0.502 -3.312 1.00 43.44 C ATOM 0 H VAL B 218 -0.938 0.414 -5.945 1.00 45.20 H new ATOM 0 HA VAL B 218 -1.477 2.937 -4.556 1.00 11.44 H new ATOM 0 HB VAL B 218 0.080 0.482 -3.670 1.00 71.31 H new ATOM 0 HG11 VAL B 218 -0.290 1.345 -1.394 1.00 13.55 H new ATOM 0 HG12 VAL B 218 0.654 2.477 -2.392 1.00 13.55 H new ATOM 0 HG13 VAL B 218 -1.068 2.793 -2.075 1.00 13.55 H new ATOM 0 HG21 VAL B 218 -1.972 -0.136 -2.431 1.00 43.44 H new ATOM 0 HG22 VAL B 218 -2.826 1.234 -3.178 1.00 43.44 H new ATOM 0 HG23 VAL B 218 -2.243 -0.109 -4.189 1.00 43.44 H new ATOM 1132 N ARG B 219 0.990 3.809 -4.316 1.00 12.24 N ATOM 1133 CA ARG B 219 2.237 4.530 -4.617 1.00 71.44 C ATOM 1134 C ARG B 219 2.999 4.945 -3.343 1.00 55.33 C ATOM 1135 O ARG B 219 2.396 5.289 -2.325 1.00 74.32 O ATOM 1136 CB ARG B 219 1.919 5.762 -5.477 1.00 23.14 C ATOM 1137 CG ARG B 219 1.339 5.425 -6.851 1.00 34.23 C ATOM 1138 CD ARG B 219 0.953 6.675 -7.635 1.00 50.53 C ATOM 1139 NE ARG B 219 0.481 6.354 -8.984 1.00 3.13 N ATOM 1140 CZ ARG B 219 -0.513 6.957 -9.578 1.00 24.12 C ATOM 1141 NH1 ARG B 219 -1.200 7.864 -8.964 1.00 54.43 N ATOM 1142 NH2 ARG B 219 -0.835 6.635 -10.786 1.00 53.54 N ATOM 0 H ARG B 219 0.456 4.187 -3.533 1.00 12.24 H new ATOM 0 HA ARG B 219 2.890 3.852 -5.166 1.00 71.44 H new ATOM 0 HB2 ARG B 219 1.212 6.395 -4.940 1.00 23.14 H new ATOM 0 HB3 ARG B 219 2.830 6.345 -5.611 1.00 23.14 H new ATOM 0 HG2 ARG B 219 2.070 4.852 -7.421 1.00 34.23 H new ATOM 0 HG3 ARG B 219 0.462 4.790 -6.728 1.00 34.23 H new ATOM 0 HD2 ARG B 219 0.173 7.214 -7.097 1.00 50.53 H new ATOM 0 HD3 ARG B 219 1.813 7.341 -7.701 1.00 50.53 H new ATOM 0 HE ARG B 219 0.960 5.611 -9.492 1.00 3.13 H new ATOM 0 HH11 ARG B 219 -0.968 8.117 -8.003 1.00 54.43 H new ATOM 0 HH12 ARG B 219 -1.974 8.327 -9.440 1.00 54.43 H new ATOM 0 HH21 ARG B 219 -0.313 5.909 -11.277 1.00 53.54 H new ATOM 0 HH22 ARG B 219 -1.612 7.106 -11.250 1.00 53.54 H new ATOM 1156 N LEU B 220 4.333 4.911 -3.413 1.00 63.03 N ATOM 1157 CA LEU B 220 5.194 5.307 -2.282 1.00 43.34 C ATOM 1158 C LEU B 220 6.505 5.949 -2.786 1.00 44.13 C ATOM 1159 O LEU B 220 6.938 5.689 -3.906 1.00 43.12 O ATOM 1160 CB LEU B 220 5.499 4.082 -1.403 1.00 71.23 C ATOM 1161 CG LEU B 220 6.284 4.366 -0.107 1.00 33.31 C ATOM 1162 CD1 LEU B 220 5.503 5.307 0.808 1.00 3.23 C ATOM 1163 CD2 LEU B 220 6.616 3.064 0.620 1.00 63.03 C ATOM 0 H LEU B 220 4.847 4.613 -4.242 1.00 63.03 H new ATOM 0 HA LEU B 220 4.664 6.049 -1.686 1.00 43.34 H new ATOM 0 HB2 LEU B 220 4.556 3.605 -1.137 1.00 71.23 H new ATOM 0 HB3 LEU B 220 6.063 3.363 -1.997 1.00 71.23 H new ATOM 0 HG LEU B 220 7.219 4.855 -0.380 1.00 33.31 H new ATOM 0 HD11 LEU B 220 6.078 5.492 1.716 1.00 3.23 H new ATOM 0 HD12 LEU B 220 5.325 6.251 0.293 1.00 3.23 H new ATOM 0 HD13 LEU B 220 4.548 4.851 1.070 1.00 3.23 H new ATOM 0 HD21 LEU B 220 7.170 3.287 1.532 1.00 63.03 H new ATOM 0 HD22 LEU B 220 5.693 2.544 0.875 1.00 63.03 H new ATOM 0 HD23 LEU B 220 7.223 2.430 -0.027 1.00 63.03 H new ATOM 1175 N TYR B 221 7.134 6.784 -1.959 1.00 64.34 N ATOM 1176 CA TYR B 221 8.346 7.518 -2.367 1.00 71.55 C ATOM 1177 C TYR B 221 9.592 6.609 -2.475 1.00 73.50 C ATOM 1178 O TYR B 221 9.770 5.684 -1.681 1.00 34.22 O ATOM 1179 CB TYR B 221 8.606 8.680 -1.397 1.00 12.31 C ATOM 1180 CG TYR B 221 7.609 9.812 -1.559 1.00 30.04 C ATOM 1181 CD1 TYR B 221 6.401 9.815 -0.867 1.00 23.43 C ATOM 1182 CD2 TYR B 221 7.866 10.864 -2.432 1.00 34.24 C ATOM 1183 CE1 TYR B 221 5.480 10.831 -1.042 1.00 43.41 C ATOM 1184 CE2 TYR B 221 6.954 11.886 -2.607 1.00 0.50 C ATOM 1185 CZ TYR B 221 5.762 11.864 -1.914 1.00 71.43 C ATOM 1186 OH TYR B 221 4.841 12.872 -2.109 1.00 30.23 O ATOM 0 H TYR B 221 6.830 6.973 -1.004 1.00 64.34 H new ATOM 0 HA TYR B 221 8.163 7.911 -3.367 1.00 71.55 H new ATOM 0 HB2 TYR B 221 8.565 8.309 -0.373 1.00 12.31 H new ATOM 0 HB3 TYR B 221 9.614 9.063 -1.557 1.00 12.31 H new ATOM 0 HD1 TYR B 221 6.180 9.010 -0.182 1.00 23.43 H new ATOM 0 HD2 TYR B 221 8.795 10.882 -2.983 1.00 34.24 H new ATOM 0 HE1 TYR B 221 4.546 10.817 -0.500 1.00 43.41 H new ATOM 0 HE2 TYR B 221 7.173 12.699 -3.284 1.00 0.50 H new ATOM 0 HH TYR B 221 4.773 13.072 -3.066 1.00 30.23 H new ATOM 1196 N PRO B 222 10.484 6.891 -3.459 1.00 74.04 N ATOM 1197 CA PRO B 222 11.666 6.049 -3.760 1.00 22.21 C ATOM 1198 C PRO B 222 12.546 5.740 -2.532 1.00 54.04 C ATOM 1199 O PRO B 222 12.731 4.575 -2.181 1.00 30.53 O ATOM 1200 CB PRO B 222 12.452 6.878 -4.800 1.00 10.03 C ATOM 1201 CG PRO B 222 11.855 8.247 -4.754 1.00 31.20 C ATOM 1202 CD PRO B 222 10.416 8.052 -4.362 1.00 24.45 C ATOM 0 HA PRO B 222 11.359 5.065 -4.115 1.00 22.21 H new ATOM 0 HB2 PRO B 222 13.514 6.905 -4.558 1.00 10.03 H new ATOM 0 HB3 PRO B 222 12.363 6.444 -5.796 1.00 10.03 H new ATOM 0 HG2 PRO B 222 12.375 8.877 -4.032 1.00 31.20 H new ATOM 0 HG3 PRO B 222 11.933 8.741 -5.723 1.00 31.20 H new ATOM 0 HD2 PRO B 222 10.009 8.931 -3.862 1.00 24.45 H new ATOM 0 HD3 PRO B 222 9.783 7.856 -5.227 1.00 24.45 H new ATOM 1210 N ASP B 223 13.090 6.780 -1.895 1.00 72.12 N ATOM 1211 CA ASP B 223 13.945 6.615 -0.706 1.00 71.33 C ATOM 1212 C ASP B 223 13.278 5.729 0.362 1.00 42.43 C ATOM 1213 O ASP B 223 13.916 4.851 0.948 1.00 24.41 O ATOM 1214 CB ASP B 223 14.286 7.994 -0.112 1.00 73.35 C ATOM 1215 CG ASP B 223 15.119 8.851 -1.055 1.00 1.54 C ATOM 1216 OD1 ASP B 223 14.895 8.775 -2.280 1.00 10.13 O ATOM 1217 OD2 ASP B 223 15.994 9.606 -0.572 1.00 53.13 O ATOM 0 H ASP B 223 12.956 7.750 -2.180 1.00 72.12 H new ATOM 0 HA ASP B 223 14.861 6.115 -1.021 1.00 71.33 H new ATOM 0 HB2 ASP B 223 13.362 8.520 0.129 1.00 73.35 H new ATOM 0 HB3 ASP B 223 14.829 7.858 0.823 1.00 73.35 H new ATOM 1222 N GLU B 224 11.986 5.951 0.591 1.00 61.21 N ATOM 1223 CA GLU B 224 11.231 5.193 1.595 1.00 73.21 C ATOM 1224 C GLU B 224 11.067 3.716 1.186 1.00 75.40 C ATOM 1225 O GLU B 224 11.142 2.819 2.028 1.00 3.34 O ATOM 1226 CB GLU B 224 9.867 5.857 1.833 1.00 34.40 C ATOM 1227 CG GLU B 224 9.984 7.287 2.363 1.00 71.04 C ATOM 1228 CD GLU B 224 8.642 7.921 2.696 1.00 43.22 C ATOM 1229 OE1 GLU B 224 8.011 7.492 3.685 1.00 35.10 O ATOM 1230 OE2 GLU B 224 8.225 8.858 1.976 1.00 64.51 O ATOM 0 H GLU B 224 11.435 6.652 0.095 1.00 61.21 H new ATOM 0 HA GLU B 224 11.795 5.204 2.528 1.00 73.21 H new ATOM 0 HB2 GLU B 224 9.305 5.866 0.899 1.00 34.40 H new ATOM 0 HB3 GLU B 224 9.296 5.258 2.542 1.00 34.40 H new ATOM 0 HG2 GLU B 224 10.608 7.285 3.257 1.00 71.04 H new ATOM 0 HG3 GLU B 224 10.493 7.901 1.620 1.00 71.04 H new ATOM 1237 N ILE B 225 10.858 3.466 -0.107 1.00 2.30 N ATOM 1238 CA ILE B 225 10.820 2.090 -0.630 1.00 70.43 C ATOM 1239 C ILE B 225 12.204 1.425 -0.522 1.00 52.32 C ATOM 1240 O ILE B 225 12.322 0.249 -0.174 1.00 15.40 O ATOM 1241 CB ILE B 225 10.355 2.052 -2.110 1.00 34.45 C ATOM 1242 CG1 ILE B 225 8.944 2.648 -2.246 1.00 43.50 C ATOM 1243 CG2 ILE B 225 10.396 0.623 -2.658 1.00 25.43 C ATOM 1244 CD1 ILE B 225 8.431 2.690 -3.671 1.00 13.12 C ATOM 0 H ILE B 225 10.713 4.189 -0.811 1.00 2.30 H new ATOM 0 HA ILE B 225 10.101 1.540 -0.022 1.00 70.43 H new ATOM 0 HB ILE B 225 11.042 2.658 -2.700 1.00 34.45 H new ATOM 0 HG12 ILE B 225 8.253 2.064 -1.638 1.00 43.50 H new ATOM 0 HG13 ILE B 225 8.947 3.660 -1.841 1.00 43.50 H new ATOM 0 HG21 ILE B 225 10.066 0.622 -3.697 1.00 25.43 H new ATOM 0 HG22 ILE B 225 11.415 0.241 -2.601 1.00 25.43 H new ATOM 0 HG23 ILE B 225 9.736 -0.012 -2.067 1.00 25.43 H new ATOM 0 HD11 ILE B 225 7.431 3.123 -3.685 1.00 13.12 H new ATOM 0 HD12 ILE B 225 9.099 3.299 -4.280 1.00 13.12 H new ATOM 0 HD13 ILE B 225 8.394 1.678 -4.074 1.00 13.12 H new ATOM 1256 N GLU B 226 13.247 2.197 -0.811 1.00 72.34 N ATOM 1257 CA GLU B 226 14.630 1.718 -0.730 1.00 44.22 C ATOM 1258 C GLU B 226 14.995 1.338 0.716 1.00 61.00 C ATOM 1259 O GLU B 226 15.762 0.400 0.953 1.00 21.15 O ATOM 1260 CB GLU B 226 15.582 2.793 -1.274 1.00 71.21 C ATOM 1261 CG GLU B 226 17.048 2.380 -1.308 1.00 42.11 C ATOM 1262 CD GLU B 226 17.923 3.418 -1.994 1.00 71.20 C ATOM 1263 OE1 GLU B 226 17.974 4.570 -1.518 1.00 1.04 O ATOM 1264 OE2 GLU B 226 18.568 3.090 -3.013 1.00 61.13 O ATOM 0 H GLU B 226 13.162 3.169 -1.107 1.00 72.34 H new ATOM 0 HA GLU B 226 14.729 0.820 -1.340 1.00 44.22 H new ATOM 0 HB2 GLU B 226 15.269 3.060 -2.283 1.00 71.21 H new ATOM 0 HB3 GLU B 226 15.484 3.690 -0.662 1.00 71.21 H new ATOM 0 HG2 GLU B 226 17.403 2.224 -0.289 1.00 42.11 H new ATOM 0 HG3 GLU B 226 17.143 1.427 -1.828 1.00 42.11 H new ATOM 1271 N ALA B 227 14.444 2.076 1.680 1.00 11.34 N ATOM 1272 CA ALA B 227 14.576 1.726 3.100 1.00 62.32 C ATOM 1273 C ALA B 227 13.752 0.471 3.435 1.00 0.45 C ATOM 1274 O ALA B 227 14.200 -0.408 4.175 1.00 64.13 O ATOM 1275 CB ALA B 227 14.146 2.902 3.972 1.00 40.42 C ATOM 0 H ALA B 227 13.901 2.922 1.506 1.00 11.34 H new ATOM 0 HA ALA B 227 15.623 1.503 3.305 1.00 62.32 H new ATOM 0 HB1 ALA B 227 14.248 2.632 5.023 1.00 40.42 H new ATOM 0 HB2 ALA B 227 14.777 3.765 3.756 1.00 40.42 H new ATOM 0 HB3 ALA B 227 13.106 3.151 3.760 1.00 40.42 H new ATOM 1281 N LEU B 228 12.546 0.392 2.872 1.00 55.02 N ATOM 1282 CA LEU B 228 11.665 -0.772 3.050 1.00 11.35 C ATOM 1283 C LEU B 228 12.358 -2.076 2.613 1.00 22.22 C ATOM 1284 O LEU B 228 12.485 -3.017 3.395 1.00 30.03 O ATOM 1285 CB LEU B 228 10.372 -0.576 2.245 1.00 13.15 C ATOM 1286 CG LEU B 228 9.376 -1.748 2.289 1.00 13.21 C ATOM 1287 CD1 LEU B 228 8.819 -1.934 3.698 1.00 74.53 C ATOM 1288 CD2 LEU B 228 8.251 -1.533 1.278 1.00 74.15 C ATOM 0 H LEU B 228 12.151 1.125 2.283 1.00 55.02 H new ATOM 0 HA LEU B 228 11.429 -0.855 4.111 1.00 11.35 H new ATOM 0 HB2 LEU B 228 9.869 0.319 2.612 1.00 13.15 H new ATOM 0 HB3 LEU B 228 10.638 -0.388 1.205 1.00 13.15 H new ATOM 0 HG LEU B 228 9.907 -2.660 2.017 1.00 13.21 H new ATOM 0 HD11 LEU B 228 8.117 -2.768 3.705 1.00 74.53 H new ATOM 0 HD12 LEU B 228 9.637 -2.142 4.388 1.00 74.53 H new ATOM 0 HD13 LEU B 228 8.305 -1.025 4.009 1.00 74.53 H new ATOM 0 HD21 LEU B 228 7.556 -2.372 1.323 1.00 74.15 H new ATOM 0 HD22 LEU B 228 7.721 -0.610 1.514 1.00 74.15 H new ATOM 0 HD23 LEU B 228 8.672 -1.464 0.275 1.00 74.15 H new ATOM 1300 N LYS B 229 12.825 -2.113 1.365 1.00 13.11 N ATOM 1301 CA LYS B 229 13.490 -3.305 0.812 1.00 13.03 C ATOM 1302 C LYS B 229 14.837 -3.600 1.503 1.00 61.31 C ATOM 1303 O LYS B 229 15.528 -4.558 1.153 1.00 41.14 O ATOM 1304 CB LYS B 229 13.687 -3.145 -0.704 1.00 60.14 C ATOM 1305 CG LYS B 229 14.528 -1.937 -1.100 1.00 41.02 C ATOM 1306 CD LYS B 229 14.605 -1.746 -2.619 1.00 60.43 C ATOM 1307 CE LYS B 229 15.508 -2.771 -3.304 1.00 52.12 C ATOM 1308 NZ LYS B 229 14.955 -4.151 -3.274 1.00 42.11 N ATOM 0 H LYS B 229 12.757 -1.332 0.712 1.00 13.11 H new ATOM 0 HA LYS B 229 12.840 -4.159 1.004 1.00 13.03 H new ATOM 0 HB2 LYS B 229 14.159 -4.046 -1.095 1.00 60.14 H new ATOM 0 HB3 LYS B 229 12.710 -3.065 -1.180 1.00 60.14 H new ATOM 0 HG2 LYS B 229 14.106 -1.040 -0.646 1.00 41.02 H new ATOM 0 HG3 LYS B 229 15.535 -2.053 -0.700 1.00 41.02 H new ATOM 0 HD2 LYS B 229 13.602 -1.815 -3.040 1.00 60.43 H new ATOM 0 HD3 LYS B 229 14.973 -0.743 -2.835 1.00 60.43 H new ATOM 0 HE2 LYS B 229 15.665 -2.472 -4.340 1.00 52.12 H new ATOM 0 HE3 LYS B 229 16.484 -2.767 -2.819 1.00 52.12 H new ATOM 0 HZ1 LYS B 229 15.164 -4.628 -4.174 1.00 42.11 H new ATOM 0 HZ2 LYS B 229 15.389 -4.682 -2.492 1.00 42.11 H new ATOM 0 HZ3 LYS B 229 13.925 -4.109 -3.135 1.00 42.11 H new ATOM 1322 N SER B 230 15.212 -2.771 2.475 1.00 21.03 N ATOM 1323 CA SER B 230 16.409 -3.019 3.290 1.00 45.34 C ATOM 1324 C SER B 230 16.072 -3.861 4.529 1.00 4.30 C ATOM 1325 O SER B 230 16.909 -4.612 5.032 1.00 64.22 O ATOM 1326 CB SER B 230 17.045 -1.691 3.726 1.00 65.45 C ATOM 1327 OG SER B 230 18.178 -1.903 4.555 1.00 3.51 O ATOM 0 H SER B 230 14.707 -1.920 2.721 1.00 21.03 H new ATOM 0 HA SER B 230 17.119 -3.574 2.677 1.00 45.34 H new ATOM 0 HB2 SER B 230 17.339 -1.121 2.845 1.00 65.45 H new ATOM 0 HB3 SER B 230 16.308 -1.092 4.261 1.00 65.45 H new ATOM 0 HG SER B 230 18.560 -1.039 4.814 1.00 3.51 H new ATOM 1333 N ARG B 231 14.832 -3.739 5.008 1.00 3.01 N ATOM 1334 CA ARG B 231 14.386 -4.437 6.226 1.00 64.01 C ATOM 1335 C ARG B 231 13.470 -5.634 5.914 1.00 22.23 C ATOM 1336 O ARG B 231 12.752 -6.120 6.791 1.00 12.52 O ATOM 1337 CB ARG B 231 13.650 -3.456 7.150 1.00 52.22 C ATOM 1338 CG ARG B 231 12.478 -2.740 6.479 1.00 31.34 C ATOM 1339 CD ARG B 231 11.667 -1.915 7.473 1.00 43.24 C ATOM 1340 NE ARG B 231 10.941 -2.757 8.423 1.00 65.13 N ATOM 1341 CZ ARG B 231 10.275 -2.302 9.449 1.00 33.21 C ATOM 1342 NH1 ARG B 231 10.296 -1.043 9.745 1.00 53.31 N ATOM 1343 NH2 ARG B 231 9.615 -3.119 10.195 1.00 12.51 N ATOM 0 H ARG B 231 14.113 -3.162 4.572 1.00 3.01 H new ATOM 0 HA ARG B 231 15.277 -4.824 6.720 1.00 64.01 H new ATOM 0 HB2 ARG B 231 13.282 -3.998 8.021 1.00 52.22 H new ATOM 0 HB3 ARG B 231 14.359 -2.712 7.513 1.00 52.22 H new ATOM 0 HG2 ARG B 231 12.855 -2.089 5.690 1.00 31.34 H new ATOM 0 HG3 ARG B 231 11.829 -3.475 6.003 1.00 31.34 H new ATOM 0 HD2 ARG B 231 12.334 -1.246 8.018 1.00 43.24 H new ATOM 0 HD3 ARG B 231 10.959 -1.288 6.931 1.00 43.24 H new ATOM 0 HE ARG B 231 10.956 -3.766 8.274 1.00 65.13 H new ATOM 0 HH11 ARG B 231 10.837 -0.394 9.174 1.00 53.31 H new ATOM 0 HH12 ARG B 231 9.771 -0.699 10.549 1.00 53.31 H new ATOM 0 HH21 ARG B 231 9.615 -4.117 9.983 1.00 12.51 H new ATOM 0 HH22 ARG B 231 9.093 -2.768 10.998 1.00 12.51 H new ATOM 1357 N VAL B 232 13.496 -6.108 4.672 1.00 5.15 N ATOM 1358 CA VAL B 232 12.673 -7.255 4.272 1.00 74.33 C ATOM 1359 C VAL B 232 13.400 -8.591 4.518 1.00 12.14 C ATOM 1360 O VAL B 232 14.595 -8.722 4.233 1.00 31.22 O ATOM 1361 CB VAL B 232 12.250 -7.166 2.779 1.00 22.45 C ATOM 1362 CG1 VAL B 232 11.335 -5.964 2.545 1.00 24.44 C ATOM 1363 CG2 VAL B 232 13.475 -7.110 1.861 1.00 51.05 C ATOM 0 H VAL B 232 14.073 -5.721 3.925 1.00 5.15 H new ATOM 0 HA VAL B 232 11.778 -7.222 4.894 1.00 74.33 H new ATOM 0 HB VAL B 232 11.692 -8.069 2.533 1.00 22.45 H new ATOM 0 HG11 VAL B 232 11.052 -5.922 1.493 1.00 24.44 H new ATOM 0 HG12 VAL B 232 10.439 -6.064 3.158 1.00 24.44 H new ATOM 0 HG13 VAL B 232 11.861 -5.048 2.816 1.00 24.44 H new ATOM 0 HG21 VAL B 232 13.149 -7.048 0.823 1.00 51.05 H new ATOM 0 HG22 VAL B 232 14.074 -6.233 2.106 1.00 51.05 H new ATOM 0 HG23 VAL B 232 14.075 -8.009 2.000 1.00 51.05 H new ATOM 1373 N PRO B 233 12.699 -9.593 5.084 1.00 53.41 N ATOM 1374 CA PRO B 233 13.250 -10.949 5.267 1.00 64.44 C ATOM 1375 C PRO B 233 13.576 -11.632 3.929 1.00 22.22 C ATOM 1376 O PRO B 233 12.939 -11.362 2.911 1.00 54.14 O ATOM 1377 CB PRO B 233 12.129 -11.703 6.006 1.00 50.22 C ATOM 1378 CG PRO B 233 11.261 -10.632 6.581 1.00 4.04 C ATOM 1379 CD PRO B 233 11.327 -9.488 5.610 1.00 15.22 C ATOM 0 HA PRO B 233 14.193 -10.933 5.813 1.00 64.44 H new ATOM 0 HB2 PRO B 233 11.568 -12.343 5.325 1.00 50.22 H new ATOM 0 HB3 PRO B 233 12.534 -12.346 6.788 1.00 50.22 H new ATOM 0 HG2 PRO B 233 10.236 -10.983 6.703 1.00 4.04 H new ATOM 0 HG3 PRO B 233 11.614 -10.329 7.567 1.00 4.04 H new ATOM 0 HD2 PRO B 233 10.582 -9.583 4.820 1.00 15.22 H new ATOM 0 HD3 PRO B 233 11.153 -8.530 6.100 1.00 15.22 H new ATOM 1387 N ALA B 234 14.553 -12.536 3.944 1.00 65.22 N ATOM 1388 CA ALA B 234 15.024 -13.205 2.721 1.00 44.02 C ATOM 1389 C ALA B 234 13.888 -13.903 1.943 1.00 73.04 C ATOM 1390 O ALA B 234 13.984 -14.100 0.730 1.00 72.25 O ATOM 1391 CB ALA B 234 16.119 -14.209 3.075 1.00 3.52 C ATOM 0 H ALA B 234 15.040 -12.827 4.792 1.00 65.22 H new ATOM 0 HA ALA B 234 15.423 -12.434 2.063 1.00 44.02 H new ATOM 0 HB1 ALA B 234 16.466 -14.703 2.168 1.00 3.52 H new ATOM 0 HB2 ALA B 234 16.952 -13.688 3.546 1.00 3.52 H new ATOM 0 HB3 ALA B 234 15.721 -14.954 3.764 1.00 3.52 H new ATOM 1397 N ASN B 235 12.817 -14.279 2.641 1.00 64.41 N ATOM 1398 CA ASN B 235 11.695 -14.999 2.019 1.00 44.01 C ATOM 1399 C ASN B 235 10.536 -14.063 1.619 1.00 51.50 C ATOM 1400 O ASN B 235 9.604 -14.482 0.922 1.00 1.31 O ATOM 1401 CB ASN B 235 11.172 -16.060 2.989 1.00 74.35 C ATOM 1402 CG ASN B 235 12.237 -17.063 3.391 1.00 75.43 C ATOM 1403 OD1 ASN B 235 13.144 -17.369 2.628 1.00 51.55 O ATOM 1404 ND2 ASN B 235 12.137 -17.581 4.597 1.00 22.34 N ATOM 0 H ASN B 235 12.698 -14.099 3.638 1.00 64.41 H new ATOM 0 HA ASN B 235 12.073 -15.460 1.106 1.00 44.01 H new ATOM 0 HB2 ASN B 235 10.785 -15.570 3.882 1.00 74.35 H new ATOM 0 HB3 ASN B 235 10.337 -16.588 2.528 1.00 74.35 H new ATOM 0 HD21 ASN B 235 12.828 -18.259 4.920 1.00 22.34 H new ATOM 0 HD22 ASN B 235 11.369 -17.305 5.209 1.00 22.34 H new ATOM 1411 N THR B 236 10.598 -12.801 2.040 1.00 42.43 N ATOM 1412 CA THR B 236 9.470 -11.868 1.861 1.00 42.14 C ATOM 1413 C THR B 236 9.833 -10.679 0.957 1.00 35.25 C ATOM 1414 O THR B 236 10.658 -9.842 1.315 1.00 13.23 O ATOM 1415 CB THR B 236 8.967 -11.326 3.226 1.00 11.14 C ATOM 1416 OG1 THR B 236 8.632 -12.416 4.097 1.00 5.04 O ATOM 1417 CG2 THR B 236 7.745 -10.429 3.050 1.00 42.10 C ATOM 0 H THR B 236 11.410 -12.396 2.506 1.00 42.43 H new ATOM 0 HA THR B 236 8.678 -12.441 1.379 1.00 42.14 H new ATOM 0 HB THR B 236 9.771 -10.736 3.665 1.00 11.14 H new ATOM 0 HG1 THR B 236 8.318 -12.064 4.956 1.00 5.04 H new ATOM 0 HG21 THR B 236 7.417 -10.066 4.024 1.00 42.10 H new ATOM 0 HG22 THR B 236 8.004 -9.582 2.415 1.00 42.10 H new ATOM 0 HG23 THR B 236 6.940 -10.998 2.585 1.00 42.10 H new ATOM 1425 N SER B 237 9.197 -10.606 -0.214 1.00 44.31 N ATOM 1426 CA SER B 237 9.423 -9.500 -1.162 1.00 32.14 C ATOM 1427 C SER B 237 8.527 -8.290 -0.841 1.00 74.12 C ATOM 1428 O SER B 237 7.524 -8.417 -0.138 1.00 73.32 O ATOM 1429 CB SER B 237 9.162 -9.968 -2.600 1.00 50.55 C ATOM 1430 OG SER B 237 9.346 -8.913 -3.536 1.00 0.23 O ATOM 0 H SER B 237 8.519 -11.298 -0.534 1.00 44.31 H new ATOM 0 HA SER B 237 10.464 -9.191 -1.064 1.00 32.14 H new ATOM 0 HB2 SER B 237 9.834 -10.792 -2.843 1.00 50.55 H new ATOM 0 HB3 SER B 237 8.145 -10.352 -2.679 1.00 50.55 H new ATOM 0 HG SER B 237 9.174 -9.245 -4.442 1.00 0.23 H new ATOM 1436 N MET B 238 8.881 -7.128 -1.392 1.00 63.22 N ATOM 1437 CA MET B 238 8.173 -5.864 -1.108 1.00 44.43 C ATOM 1438 C MET B 238 6.656 -5.954 -1.377 1.00 74.22 C ATOM 1439 O MET B 238 5.845 -5.608 -0.518 1.00 33.34 O ATOM 1440 CB MET B 238 8.775 -4.726 -1.941 1.00 3.12 C ATOM 1441 CG MET B 238 10.246 -4.462 -1.646 1.00 13.55 C ATOM 1442 SD MET B 238 10.948 -3.165 -2.685 1.00 21.11 S ATOM 1443 CE MET B 238 10.771 -3.888 -4.314 1.00 2.14 C ATOM 0 H MET B 238 9.659 -7.029 -2.044 1.00 63.22 H new ATOM 0 HA MET B 238 8.303 -5.663 -0.045 1.00 44.43 H new ATOM 0 HB2 MET B 238 8.663 -4.964 -2.999 1.00 3.12 H new ATOM 0 HB3 MET B 238 8.207 -3.814 -1.757 1.00 3.12 H new ATOM 0 HG2 MET B 238 10.357 -4.181 -0.599 1.00 13.55 H new ATOM 0 HG3 MET B 238 10.811 -5.383 -1.791 1.00 13.55 H new ATOM 0 HE1 MET B 238 11.467 -3.409 -5.002 1.00 2.14 H new ATOM 0 HE2 MET B 238 10.987 -4.955 -4.264 1.00 2.14 H new ATOM 0 HE3 MET B 238 9.751 -3.740 -4.669 1.00 2.14 H new ATOM 1453 N SER B 239 6.282 -6.421 -2.572 1.00 32.31 N ATOM 1454 CA SER B 239 4.863 -6.514 -2.970 1.00 44.10 C ATOM 1455 C SER B 239 4.054 -7.381 -1.993 1.00 51.32 C ATOM 1456 O SER B 239 3.004 -6.967 -1.495 1.00 3.31 O ATOM 1457 CB SER B 239 4.738 -7.090 -4.389 1.00 53.33 C ATOM 1458 OG SER B 239 5.297 -8.396 -4.467 1.00 5.30 O ATOM 0 H SER B 239 6.938 -6.742 -3.285 1.00 32.31 H new ATOM 0 HA SER B 239 4.456 -5.503 -2.949 1.00 44.10 H new ATOM 0 HB2 SER B 239 3.688 -7.124 -4.679 1.00 53.33 H new ATOM 0 HB3 SER B 239 5.243 -6.433 -5.097 1.00 53.33 H new ATOM 0 HG SER B 239 5.202 -8.738 -5.380 1.00 5.30 H new ATOM 1464 N ALA B 240 4.551 -8.586 -1.728 1.00 4.03 N ATOM 1465 CA ALA B 240 3.903 -9.510 -0.791 1.00 62.14 C ATOM 1466 C ALA B 240 3.847 -8.928 0.629 1.00 74.23 C ATOM 1467 O ALA B 240 2.860 -9.104 1.350 1.00 25.25 O ATOM 1468 CB ALA B 240 4.642 -10.843 -0.786 1.00 60.03 C ATOM 0 H ALA B 240 5.405 -8.950 -2.150 1.00 4.03 H new ATOM 0 HA ALA B 240 2.877 -9.665 -1.124 1.00 62.14 H new ATOM 0 HB1 ALA B 240 4.157 -11.526 -0.088 1.00 60.03 H new ATOM 0 HB2 ALA B 240 4.623 -11.273 -1.787 1.00 60.03 H new ATOM 0 HB3 ALA B 240 5.676 -10.685 -0.479 1.00 60.03 H new ATOM 1474 N TYR B 241 4.911 -8.229 1.018 1.00 15.24 N ATOM 1475 CA TYR B 241 5.009 -7.627 2.352 1.00 75.22 C ATOM 1476 C TYR B 241 3.950 -6.530 2.551 1.00 33.24 C ATOM 1477 O TYR B 241 3.135 -6.604 3.474 1.00 42.51 O ATOM 1478 CB TYR B 241 6.419 -7.057 2.563 1.00 63.44 C ATOM 1479 CG TYR B 241 6.743 -6.721 4.007 1.00 0.41 C ATOM 1480 CD1 TYR B 241 6.548 -7.658 5.017 1.00 51.51 C ATOM 1481 CD2 TYR B 241 7.252 -5.476 4.361 1.00 1.41 C ATOM 1482 CE1 TYR B 241 6.848 -7.366 6.330 1.00 51.22 C ATOM 1483 CE2 TYR B 241 7.557 -5.178 5.676 1.00 2.33 C ATOM 1484 CZ TYR B 241 7.351 -6.126 6.656 1.00 52.14 C ATOM 1485 OH TYR B 241 7.656 -5.839 7.967 1.00 24.43 O ATOM 0 H TYR B 241 5.725 -8.063 0.426 1.00 15.24 H new ATOM 0 HA TYR B 241 4.821 -8.404 3.093 1.00 75.22 H new ATOM 0 HB2 TYR B 241 7.149 -7.779 2.197 1.00 63.44 H new ATOM 0 HB3 TYR B 241 6.529 -6.157 1.958 1.00 63.44 H new ATOM 0 HD1 TYR B 241 6.154 -8.632 4.767 1.00 51.51 H new ATOM 0 HD2 TYR B 241 7.412 -4.730 3.596 1.00 1.41 H new ATOM 0 HE1 TYR B 241 6.689 -8.106 7.100 1.00 51.22 H new ATOM 0 HE2 TYR B 241 7.955 -4.208 5.934 1.00 2.33 H new ATOM 0 HH TYR B 241 8.001 -4.924 8.030 1.00 24.43 H new ATOM 1495 N ILE B 242 3.960 -5.524 1.673 1.00 25.11 N ATOM 1496 CA ILE B 242 2.983 -4.425 1.729 1.00 60.14 C ATOM 1497 C ILE B 242 1.540 -4.952 1.700 1.00 63.14 C ATOM 1498 O ILE B 242 0.663 -4.434 2.398 1.00 30.32 O ATOM 1499 CB ILE B 242 3.187 -3.429 0.556 1.00 62.43 C ATOM 1500 CG1 ILE B 242 4.559 -2.741 0.662 1.00 3.33 C ATOM 1501 CG2 ILE B 242 2.064 -2.388 0.516 1.00 72.34 C ATOM 1502 CD1 ILE B 242 4.723 -1.884 1.903 1.00 75.42 C ATOM 0 H ILE B 242 4.634 -5.445 0.912 1.00 25.11 H new ATOM 0 HA ILE B 242 3.150 -3.905 2.672 1.00 60.14 H new ATOM 0 HB ILE B 242 3.155 -3.995 -0.375 1.00 62.43 H new ATOM 0 HG12 ILE B 242 5.338 -3.503 0.653 1.00 3.33 H new ATOM 0 HG13 ILE B 242 4.712 -2.119 -0.220 1.00 3.33 H new ATOM 0 HG21 ILE B 242 2.232 -1.703 -0.315 1.00 72.34 H new ATOM 0 HG22 ILE B 242 1.106 -2.891 0.384 1.00 72.34 H new ATOM 0 HG23 ILE B 242 2.054 -1.828 1.451 1.00 72.34 H new ATOM 0 HD11 ILE B 242 5.715 -1.433 1.905 1.00 75.42 H new ATOM 0 HD12 ILE B 242 3.968 -1.098 1.905 1.00 75.42 H new ATOM 0 HD13 ILE B 242 4.604 -2.504 2.792 1.00 75.42 H new ATOM 1514 N ARG B 243 1.307 -5.995 0.903 1.00 44.42 N ATOM 1515 CA ARG B 243 -0.026 -6.588 0.775 1.00 34.22 C ATOM 1516 C ARG B 243 -0.603 -7.001 2.137 1.00 73.41 C ATOM 1517 O ARG B 243 -1.780 -6.771 2.413 1.00 52.34 O ATOM 1518 CB ARG B 243 0.000 -7.801 -0.168 1.00 43.33 C ATOM 1519 CG ARG B 243 -1.372 -8.448 -0.342 1.00 40.01 C ATOM 1520 CD ARG B 243 -1.397 -9.495 -1.452 1.00 44.13 C ATOM 1521 NE ARG B 243 -0.720 -10.736 -1.080 1.00 51.35 N ATOM 1522 CZ ARG B 243 -1.121 -11.923 -1.459 1.00 24.33 C ATOM 1523 NH1 ARG B 243 -2.188 -12.055 -2.178 1.00 72.41 N ATOM 1524 NH2 ARG B 243 -0.458 -12.978 -1.114 1.00 12.51 N ATOM 0 H ARG B 243 2.024 -6.447 0.336 1.00 44.42 H new ATOM 0 HA ARG B 243 -0.674 -5.820 0.351 1.00 34.22 H new ATOM 0 HB2 ARG B 243 0.375 -7.489 -1.143 1.00 43.33 H new ATOM 0 HB3 ARG B 243 0.699 -8.542 0.220 1.00 43.33 H new ATOM 0 HG2 ARG B 243 -1.670 -8.914 0.597 1.00 40.01 H new ATOM 0 HG3 ARG B 243 -2.108 -7.675 -0.562 1.00 40.01 H new ATOM 0 HD2 ARG B 243 -2.432 -9.716 -1.713 1.00 44.13 H new ATOM 0 HD3 ARG B 243 -0.925 -9.083 -2.344 1.00 44.13 H new ATOM 0 HE ARG B 243 0.111 -10.674 -0.492 1.00 51.35 H new ATOM 0 HH11 ARG B 243 -2.723 -11.231 -2.453 1.00 72.41 H new ATOM 0 HH12 ARG B 243 -2.495 -12.983 -2.470 1.00 72.41 H new ATOM 0 HH21 ARG B 243 0.383 -12.888 -0.543 1.00 12.51 H new ATOM 0 HH22 ARG B 243 -0.776 -13.900 -1.412 1.00 12.51 H new ATOM 1538 N ARG B 244 0.218 -7.611 2.991 1.00 55.34 N ATOM 1539 CA ARG B 244 -0.262 -8.042 4.307 1.00 52.33 C ATOM 1540 C ARG B 244 -0.237 -6.884 5.321 1.00 73.23 C ATOM 1541 O ARG B 244 -0.995 -6.887 6.287 1.00 0.42 O ATOM 1542 CB ARG B 244 0.539 -9.243 4.837 1.00 73.40 C ATOM 1543 CG ARG B 244 1.935 -8.911 5.358 1.00 5.25 C ATOM 1544 CD ARG B 244 2.562 -10.111 6.066 1.00 43.31 C ATOM 1545 NE ARG B 244 1.675 -10.659 7.098 1.00 34.02 N ATOM 1546 CZ ARG B 244 2.017 -10.875 8.342 1.00 10.34 C ATOM 1547 NH1 ARG B 244 3.224 -10.643 8.751 1.00 45.31 N ATOM 1548 NH2 ARG B 244 1.142 -11.341 9.170 1.00 51.01 N ATOM 0 H ARG B 244 1.199 -7.816 2.803 1.00 55.34 H new ATOM 0 HA ARG B 244 -1.297 -8.360 4.181 1.00 52.33 H new ATOM 0 HB2 ARG B 244 -0.029 -9.713 5.640 1.00 73.40 H new ATOM 0 HB3 ARG B 244 0.632 -9.979 4.038 1.00 73.40 H new ATOM 0 HG2 ARG B 244 2.571 -8.602 4.529 1.00 5.25 H new ATOM 0 HG3 ARG B 244 1.878 -8.068 6.047 1.00 5.25 H new ATOM 0 HD2 ARG B 244 2.791 -10.886 5.334 1.00 43.31 H new ATOM 0 HD3 ARG B 244 3.507 -9.812 6.520 1.00 43.31 H new ATOM 0 HE ARG B 244 0.720 -10.889 6.825 1.00 34.02 H new ATOM 0 HH11 ARG B 244 3.924 -10.287 8.100 1.00 45.31 H new ATOM 0 HH12 ARG B 244 3.475 -10.817 9.724 1.00 45.31 H new ATOM 0 HH21 ARG B 244 0.193 -11.538 8.852 1.00 51.01 H new ATOM 0 HH22 ARG B 244 1.400 -11.512 10.142 1.00 51.01 H new ATOM 1562 N ILE B 245 0.624 -5.887 5.091 1.00 4.03 N ATOM 1563 CA ILE B 245 0.683 -4.706 5.969 1.00 72.03 C ATOM 1564 C ILE B 245 -0.670 -3.981 6.016 1.00 32.54 C ATOM 1565 O ILE B 245 -1.176 -3.651 7.092 1.00 40.45 O ATOM 1566 CB ILE B 245 1.792 -3.710 5.528 1.00 62.32 C ATOM 1567 CG1 ILE B 245 3.182 -4.344 5.704 1.00 53.00 C ATOM 1568 CG2 ILE B 245 1.692 -2.398 6.315 1.00 44.34 C ATOM 1569 CD1 ILE B 245 4.328 -3.429 5.326 1.00 25.20 C ATOM 0 H ILE B 245 1.284 -5.870 4.314 1.00 4.03 H new ATOM 0 HA ILE B 245 0.927 -5.071 6.967 1.00 72.03 H new ATOM 0 HB ILE B 245 1.647 -3.481 4.472 1.00 62.32 H new ATOM 0 HG12 ILE B 245 3.302 -4.649 6.743 1.00 53.00 H new ATOM 0 HG13 ILE B 245 3.237 -5.248 5.098 1.00 53.00 H new ATOM 0 HG21 ILE B 245 2.478 -1.717 5.989 1.00 44.34 H new ATOM 0 HG22 ILE B 245 0.719 -1.940 6.137 1.00 44.34 H new ATOM 0 HG23 ILE B 245 1.808 -2.602 7.379 1.00 44.34 H new ATOM 0 HD11 ILE B 245 5.274 -3.949 5.478 1.00 25.20 H new ATOM 0 HD12 ILE B 245 4.235 -3.143 4.278 1.00 25.20 H new ATOM 0 HD13 ILE B 245 4.301 -2.535 5.949 1.00 25.20 H new ATOM 1581 N ILE B 246 -1.258 -3.735 4.845 1.00 43.52 N ATOM 1582 CA ILE B 246 -2.587 -3.117 4.777 1.00 34.42 C ATOM 1583 C ILE B 246 -3.661 -4.044 5.374 1.00 74.22 C ATOM 1584 O ILE B 246 -4.508 -3.600 6.148 1.00 42.21 O ATOM 1585 CB ILE B 246 -2.979 -2.722 3.326 1.00 15.44 C ATOM 1586 CG1 ILE B 246 -2.990 -3.948 2.396 1.00 22.02 C ATOM 1587 CG2 ILE B 246 -2.027 -1.651 2.795 1.00 31.34 C ATOM 1588 CD1 ILE B 246 -3.415 -3.636 0.975 1.00 22.22 C ATOM 0 H ILE B 246 -0.843 -3.950 3.939 1.00 43.52 H new ATOM 0 HA ILE B 246 -2.535 -2.204 5.370 1.00 34.42 H new ATOM 0 HB ILE B 246 -3.990 -2.314 3.347 1.00 15.44 H new ATOM 0 HG12 ILE B 246 -1.993 -4.388 2.378 1.00 22.02 H new ATOM 0 HG13 ILE B 246 -3.663 -4.700 2.809 1.00 22.02 H new ATOM 0 HG21 ILE B 246 -2.312 -1.383 1.778 1.00 31.34 H new ATOM 0 HG22 ILE B 246 -2.081 -0.768 3.432 1.00 31.34 H new ATOM 0 HG23 ILE B 246 -1.008 -2.037 2.796 1.00 31.34 H new ATOM 0 HD11 ILE B 246 -3.398 -4.550 0.381 1.00 22.22 H new ATOM 0 HD12 ILE B 246 -4.425 -3.225 0.979 1.00 22.22 H new ATOM 0 HD13 ILE B 246 -2.729 -2.908 0.541 1.00 22.22 H new ATOM 1600 N LEU B 247 -3.596 -5.335 5.035 1.00 2.15 N ATOM 1601 CA LEU B 247 -4.516 -6.344 5.586 1.00 12.21 C ATOM 1602 C LEU B 247 -4.552 -6.286 7.122 1.00 2.54 C ATOM 1603 O LEU B 247 -5.608 -6.081 7.728 1.00 32.11 O ATOM 1604 CB LEU B 247 -4.086 -7.746 5.118 1.00 43.43 C ATOM 1605 CG LEU B 247 -4.870 -8.923 5.727 1.00 12.41 C ATOM 1606 CD1 LEU B 247 -6.354 -8.818 5.390 1.00 41.15 C ATOM 1607 CD2 LEU B 247 -4.294 -10.257 5.252 1.00 61.41 C ATOM 0 H LEU B 247 -2.913 -5.711 4.378 1.00 2.15 H new ATOM 0 HA LEU B 247 -5.520 -6.130 5.220 1.00 12.21 H new ATOM 0 HB2 LEU B 247 -4.182 -7.792 4.033 1.00 43.43 H new ATOM 0 HB3 LEU B 247 -3.029 -7.878 5.350 1.00 43.43 H new ATOM 0 HG LEU B 247 -4.768 -8.877 6.811 1.00 12.41 H new ATOM 0 HD11 LEU B 247 -6.888 -9.660 5.831 1.00 41.15 H new ATOM 0 HD12 LEU B 247 -6.753 -7.886 5.790 1.00 41.15 H new ATOM 0 HD13 LEU B 247 -6.483 -8.833 4.308 1.00 41.15 H new ATOM 0 HD21 LEU B 247 -4.862 -11.076 5.693 1.00 61.41 H new ATOM 0 HD22 LEU B 247 -4.358 -10.315 4.165 1.00 61.41 H new ATOM 0 HD23 LEU B 247 -3.251 -10.332 5.558 1.00 61.41 H new ATOM 1619 N ASN B 248 -3.381 -6.433 7.738 1.00 11.22 N ATOM 1620 CA ASN B 248 -3.248 -6.387 9.197 1.00 73.02 C ATOM 1621 C ASN B 248 -3.792 -5.077 9.790 1.00 53.14 C ATOM 1622 O ASN B 248 -4.183 -5.032 10.956 1.00 50.00 O ATOM 1623 CB ASN B 248 -1.778 -6.568 9.600 1.00 25.12 C ATOM 1624 CG ASN B 248 -1.242 -7.946 9.254 1.00 24.41 C ATOM 1625 OD1 ASN B 248 -1.695 -8.589 8.314 1.00 2.30 O ATOM 1626 ND2 ASN B 248 -0.267 -8.411 10.008 1.00 22.12 N ATOM 0 H ASN B 248 -2.501 -6.587 7.246 1.00 11.22 H new ATOM 0 HA ASN B 248 -3.845 -7.205 9.601 1.00 73.02 H new ATOM 0 HB2 ASN B 248 -1.173 -5.811 9.101 1.00 25.12 H new ATOM 0 HB3 ASN B 248 -1.676 -6.402 10.672 1.00 25.12 H new ATOM 0 HD21 ASN B 248 0.132 -9.330 9.816 1.00 22.12 H new ATOM 0 HD22 ASN B 248 0.089 -7.852 10.783 1.00 22.12 H new ATOM 1633 N HIS B 249 -3.818 -4.010 8.987 1.00 11.54 N ATOM 1634 CA HIS B 249 -4.310 -2.712 9.456 1.00 24.33 C ATOM 1635 C HIS B 249 -5.815 -2.538 9.170 1.00 72.54 C ATOM 1636 O HIS B 249 -6.500 -1.794 9.870 1.00 52.44 O ATOM 1637 CB HIS B 249 -3.508 -1.569 8.824 1.00 51.33 C ATOM 1638 CG HIS B 249 -3.638 -0.275 9.570 1.00 22.04 C ATOM 1639 ND1 HIS B 249 -3.001 -0.038 10.769 1.00 4.14 N ATOM 1640 CD2 HIS B 249 -4.347 0.846 9.300 1.00 42.25 C ATOM 1641 CE1 HIS B 249 -3.306 1.168 11.198 1.00 62.32 C ATOM 1642 NE2 HIS B 249 -4.122 1.725 10.328 1.00 23.54 N ATOM 0 H HIS B 249 -3.507 -4.018 8.016 1.00 11.54 H new ATOM 0 HA HIS B 249 -4.172 -2.680 10.537 1.00 24.33 H new ATOM 0 HB2 HIS B 249 -2.456 -1.852 8.781 1.00 51.33 H new ATOM 0 HB3 HIS B 249 -3.842 -1.424 7.797 1.00 51.33 H new ATOM 0 HD2 HIS B 249 -4.973 1.016 8.436 1.00 42.25 H new ATOM 0 HE1 HIS B 249 -2.948 1.624 12.109 1.00 62.32 H new ATOM 0 HE2 HIS B 249 -4.522 2.660 10.406 1.00 23.54 H new ATOM 1651 N LEU B 250 -6.327 -3.221 8.145 1.00 74.41 N ATOM 1652 CA LEU B 250 -7.769 -3.208 7.848 1.00 42.32 C ATOM 1653 C LEU B 250 -8.554 -3.973 8.924 1.00 33.23 C ATOM 1654 O LEU B 250 -9.637 -3.555 9.334 1.00 20.42 O ATOM 1655 CB LEU B 250 -8.050 -3.796 6.449 1.00 72.04 C ATOM 1656 CG LEU B 250 -8.158 -2.772 5.300 1.00 53.12 C ATOM 1657 CD1 LEU B 250 -9.349 -1.843 5.518 1.00 23.44 C ATOM 1658 CD2 LEU B 250 -6.870 -1.964 5.154 1.00 24.40 C ATOM 0 H LEU B 250 -5.771 -3.789 7.506 1.00 74.41 H new ATOM 0 HA LEU B 250 -8.103 -2.171 7.853 1.00 42.32 H new ATOM 0 HB2 LEU B 250 -7.257 -4.503 6.207 1.00 72.04 H new ATOM 0 HB3 LEU B 250 -8.980 -4.363 6.494 1.00 72.04 H new ATOM 0 HG LEU B 250 -8.313 -3.326 4.374 1.00 53.12 H new ATOM 0 HD11 LEU B 250 -9.408 -1.128 4.697 1.00 23.44 H new ATOM 0 HD12 LEU B 250 -10.267 -2.430 5.554 1.00 23.44 H new ATOM 0 HD13 LEU B 250 -9.224 -1.306 6.458 1.00 23.44 H new ATOM 0 HD21 LEU B 250 -6.978 -1.252 4.336 1.00 24.40 H new ATOM 0 HD22 LEU B 250 -6.671 -1.425 6.081 1.00 24.40 H new ATOM 0 HD23 LEU B 250 -6.040 -2.638 4.941 1.00 24.40 H new ATOM 1670 N GLU B 251 -7.996 -5.092 9.381 1.00 12.43 N ATOM 1671 CA GLU B 251 -8.564 -5.840 10.509 1.00 30.14 C ATOM 1672 C GLU B 251 -8.202 -5.180 11.851 1.00 23.34 C ATOM 1673 O GLU B 251 -8.579 -5.666 12.920 1.00 42.20 O ATOM 1674 CB GLU B 251 -8.062 -7.293 10.494 1.00 4.55 C ATOM 1675 CG GLU B 251 -6.544 -7.413 10.519 1.00 14.04 C ATOM 1676 CD GLU B 251 -6.067 -8.837 10.757 1.00 14.14 C ATOM 1677 OE1 GLU B 251 -5.897 -9.595 9.781 1.00 3.31 O ATOM 1678 OE2 GLU B 251 -5.864 -9.203 11.935 1.00 72.50 O ATOM 0 H GLU B 251 -7.149 -5.504 8.989 1.00 12.43 H new ATOM 0 HA GLU B 251 -9.649 -5.832 10.402 1.00 30.14 H new ATOM 0 HB2 GLU B 251 -8.474 -7.820 11.355 1.00 4.55 H new ATOM 0 HB3 GLU B 251 -8.443 -7.791 9.603 1.00 4.55 H new ATOM 0 HG2 GLU B 251 -6.141 -7.053 9.572 1.00 14.04 H new ATOM 0 HG3 GLU B 251 -6.146 -6.766 11.301 1.00 14.04 H new ATOM 1685 N ASP B 252 -7.452 -4.082 11.785 1.00 21.14 N ATOM 1686 CA ASP B 252 -7.044 -3.337 12.979 1.00 55.01 C ATOM 1687 C ASP B 252 -8.020 -2.176 13.257 1.00 2.55 C ATOM 1688 O ASP B 252 -8.604 -2.088 14.337 1.00 61.14 O ATOM 1689 CB ASP B 252 -5.611 -2.822 12.789 1.00 40.32 C ATOM 1690 CG ASP B 252 -5.019 -2.219 14.048 1.00 41.30 C ATOM 1691 OD1 ASP B 252 -4.771 -2.976 15.012 1.00 21.44 O ATOM 1692 OD2 ASP B 252 -4.788 -0.993 14.077 1.00 41.00 O ATOM 0 H ASP B 252 -7.111 -3.684 10.910 1.00 21.14 H new ATOM 0 HA ASP B 252 -7.070 -3.999 13.845 1.00 55.01 H new ATOM 0 HB2 ASP B 252 -4.978 -3.644 12.456 1.00 40.32 H new ATOM 0 HB3 ASP B 252 -5.603 -2.073 11.997 1.00 40.32 H new ATOM 1697 N GLU B 253 -8.193 -1.289 12.272 1.00 72.33 N ATOM 1698 CA GLU B 253 -9.166 -0.187 12.371 1.00 53.31 C ATOM 1699 C GLU B 253 -10.414 -0.470 11.508 1.00 70.42 C ATOM 1700 O GLU B 253 -10.438 -0.049 10.330 1.00 38.19 O ATOM 1701 CB GLU B 253 -8.523 1.140 11.932 1.00 11.02 C ATOM 1702 CG GLU B 253 -7.288 1.539 12.728 1.00 22.21 C ATOM 1703 CD GLU B 253 -6.782 2.925 12.353 1.00 41.52 C ATOM 1704 OE1 GLU B 253 -6.325 3.110 11.205 1.00 44.21 O ATOM 1705 OE2 GLU B 253 -6.840 3.843 13.200 1.00 31.14 O ATOM 1706 OXT GLU B 253 -11.367 -1.112 12.002 1.00 38.19 O ATOM 0 H GLU B 253 -7.673 -1.309 11.395 1.00 72.33 H new ATOM 0 HA GLU B 253 -9.474 -0.108 13.413 1.00 53.31 H new ATOM 0 HB2 GLU B 253 -8.252 1.067 10.879 1.00 11.02 H new ATOM 0 HB3 GLU B 253 -9.265 1.934 12.016 1.00 11.02 H new ATOM 0 HG2 GLU B 253 -7.521 1.516 13.792 1.00 22.21 H new ATOM 0 HG3 GLU B 253 -6.497 0.808 12.559 1.00 22.21 H new TER 1713 GLU B 253