USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= 0.782 K(o=1.6,f=0.08) USER MOD Set 1.2: A 82 TYR OH : rot 39:sc= 0.868 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 38:sc= 0.412 USER MOD Single : A 22 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 23 SER OG : rot -31:sc= 0.122 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0468 K(o=-0.047,f=-1.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00139 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 55:sc= 0.863 USER MOD Single : A 58 SER OG : rot -91:sc= 0.0676 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc=4.12e-05 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.457 (180deg=-0.734) USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.667 USER MOD Single : A 73 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.8) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -5.541 6.458 -15.580 1.00 43.34 N ATOM 115 CA ALA A 9 -6.362 7.662 -15.536 1.00 71.42 C ATOM 116 C ALA A 9 -6.773 8.097 -16.939 1.00 13.45 C ATOM 117 O ALA A 9 -6.806 9.290 -17.244 1.00 33.45 O ATOM 118 CB ALA A 9 -5.616 8.784 -14.830 1.00 54.10 C ATOM 0 HA ALA A 9 -7.268 7.434 -14.975 1.00 71.42 H new ATOM 0 HB1 ALA A 9 -6.241 9.677 -14.805 1.00 54.10 H new ATOM 0 HB2 ALA A 9 -5.378 8.478 -13.811 1.00 54.10 H new ATOM 0 HB3 ALA A 9 -4.693 9.002 -15.368 1.00 54.10 H new ATOM 124 N ARG A 10 -7.085 7.124 -17.788 1.00 50.00 N ATOM 125 CA ARG A 10 -7.492 7.408 -19.159 1.00 31.31 C ATOM 126 C ARG A 10 -8.861 6.802 -19.456 1.00 42.11 C ATOM 127 O ARG A 10 -9.796 7.510 -19.829 1.00 12.00 O ATOM 128 CB ARG A 10 -6.457 6.863 -20.144 1.00 65.52 C ATOM 129 CG ARG A 10 -5.354 7.853 -20.479 1.00 5.33 C ATOM 130 CD ARG A 10 -3.984 7.193 -20.450 1.00 20.01 C ATOM 131 NE ARG A 10 -3.060 7.808 -21.399 1.00 4.35 N ATOM 132 CZ ARG A 10 -3.164 7.677 -22.716 1.00 44.23 C ATOM 133 NH1 ARG A 10 -4.147 6.957 -23.239 1.00 4.03 N ATOM 134 NH2 ARG A 10 -2.283 8.268 -23.515 1.00 34.25 N ATOM 0 H ARG A 10 -7.064 6.132 -17.551 1.00 50.00 H new ATOM 0 HA ARG A 10 -7.559 8.490 -19.275 1.00 31.31 H new ATOM 0 HB2 ARG A 10 -6.009 5.961 -19.726 1.00 65.52 H new ATOM 0 HB3 ARG A 10 -6.963 6.570 -21.064 1.00 65.52 H new ATOM 0 HG2 ARG A 10 -5.533 8.278 -21.466 1.00 5.33 H new ATOM 0 HG3 ARG A 10 -5.376 8.679 -19.768 1.00 5.33 H new ATOM 0 HD2 ARG A 10 -3.570 7.262 -19.444 1.00 20.01 H new ATOM 0 HD3 ARG A 10 -4.088 6.133 -20.680 1.00 20.01 H new ATOM 0 HE ARG A 10 -2.292 8.369 -21.030 1.00 4.35 H new ATOM 0 HH11 ARG A 10 -4.826 6.502 -22.629 1.00 4.03 H new ATOM 0 HH12 ARG A 10 -4.224 6.858 -24.251 1.00 4.03 H new ATOM 0 HH21 ARG A 10 -1.526 8.823 -23.117 1.00 34.25 H new ATOM 0 HH22 ARG A 10 -2.364 8.167 -24.527 1.00 34.25 H new ATOM 148 N SER A 11 -8.970 5.488 -19.289 1.00 23.04 N ATOM 149 CA SER A 11 -10.222 4.786 -19.543 1.00 14.20 C ATOM 150 C SER A 11 -10.914 4.417 -18.234 1.00 42.20 C ATOM 151 O SER A 11 -10.260 4.180 -17.219 1.00 73.41 O ATOM 152 CB SER A 11 -9.966 3.525 -20.371 1.00 12.33 C ATOM 153 OG SER A 11 -9.353 3.843 -21.608 1.00 52.41 O ATOM 0 H SER A 11 -8.206 4.888 -18.979 1.00 23.04 H new ATOM 0 HA SER A 11 -10.876 5.454 -20.104 1.00 14.20 H new ATOM 0 HB2 SER A 11 -9.328 2.841 -19.811 1.00 12.33 H new ATOM 0 HB3 SER A 11 -10.908 3.007 -20.551 1.00 12.33 H new ATOM 0 HG SER A 11 -9.198 3.020 -22.118 1.00 52.41 H new ATOM 159 N GLY A 12 -12.242 4.372 -18.266 1.00 33.50 N ATOM 160 CA GLY A 12 -13.002 4.031 -17.077 1.00 43.31 C ATOM 161 C GLY A 12 -13.493 5.257 -16.333 1.00 33.23 C ATOM 162 O GLY A 12 -13.968 6.214 -16.943 1.00 71.41 O ATOM 0 H GLY A 12 -12.806 4.566 -19.094 1.00 33.50 H new ATOM 0 HA2 GLY A 12 -13.856 3.415 -17.359 1.00 43.31 H new ATOM 0 HA3 GLY A 12 -12.381 3.430 -16.412 1.00 43.31 H new ATOM 166 N GLY A 13 -13.381 5.228 -15.008 1.00 70.40 N ATOM 167 CA GLY A 13 -13.824 6.350 -14.201 1.00 62.41 C ATOM 168 C GLY A 13 -12.692 7.295 -13.851 1.00 25.50 C ATOM 169 O GLY A 13 -11.567 6.862 -13.599 1.00 22.22 O ATOM 0 H GLY A 13 -12.991 4.447 -14.479 1.00 70.40 H new ATOM 0 HA2 GLY A 13 -14.597 6.898 -14.739 1.00 62.41 H new ATOM 0 HA3 GLY A 13 -14.278 5.977 -13.283 1.00 62.41 H new ATOM 173 N LYS A 14 -12.987 8.590 -13.837 1.00 31.15 N ATOM 174 CA LYS A 14 -11.986 9.600 -13.515 1.00 40.14 C ATOM 175 C LYS A 14 -12.583 10.701 -12.644 1.00 74.53 C ATOM 176 O LYS A 14 -13.713 11.137 -12.866 1.00 42.32 O ATOM 177 CB LYS A 14 -11.413 10.205 -14.799 1.00 4.53 C ATOM 178 CG LYS A 14 -10.069 10.886 -14.603 1.00 11.34 C ATOM 179 CD LYS A 14 -9.468 11.325 -15.927 1.00 64.12 C ATOM 180 CE LYS A 14 -8.163 12.079 -15.724 1.00 44.31 C ATOM 181 NZ LYS A 14 -8.396 13.510 -15.384 1.00 51.22 N ATOM 0 H LYS A 14 -13.912 8.965 -14.045 1.00 31.15 H new ATOM 0 HA LYS A 14 -11.184 9.116 -12.958 1.00 40.14 H new ATOM 0 HB2 LYS A 14 -11.307 9.418 -15.546 1.00 4.53 H new ATOM 0 HB3 LYS A 14 -12.123 10.929 -15.198 1.00 4.53 H new ATOM 0 HG2 LYS A 14 -10.190 11.752 -13.953 1.00 11.34 H new ATOM 0 HG3 LYS A 14 -9.384 10.203 -14.100 1.00 11.34 H new ATOM 0 HD2 LYS A 14 -9.291 10.452 -16.555 1.00 64.12 H new ATOM 0 HD3 LYS A 14 -10.178 11.960 -16.457 1.00 64.12 H new ATOM 0 HE2 LYS A 14 -7.590 11.605 -14.927 1.00 44.31 H new ATOM 0 HE3 LYS A 14 -7.562 12.014 -16.631 1.00 44.31 H new ATOM 0 HZ1 LYS A 14 -7.482 13.989 -15.254 1.00 51.22 H new ATOM 0 HZ2 LYS A 14 -8.921 13.969 -16.156 1.00 51.22 H new ATOM 0 HZ3 LYS A 14 -8.948 13.572 -14.505 1.00 51.22 H new ATOM 195 N VAL A 15 -11.818 11.146 -11.653 1.00 64.12 N ATOM 196 CA VAL A 15 -12.270 12.197 -10.750 1.00 54.45 C ATOM 197 C VAL A 15 -11.099 13.035 -10.251 1.00 24.14 C ATOM 198 O VAL A 15 -9.982 12.537 -10.105 1.00 63.22 O ATOM 199 CB VAL A 15 -13.023 11.613 -9.540 1.00 65.32 C ATOM 200 CG1 VAL A 15 -12.095 10.744 -8.704 1.00 13.22 C ATOM 201 CG2 VAL A 15 -13.625 12.727 -8.699 1.00 14.52 C ATOM 0 H VAL A 15 -10.881 10.795 -11.455 1.00 64.12 H new ATOM 0 HA VAL A 15 -12.950 12.831 -11.319 1.00 54.45 H new ATOM 0 HB VAL A 15 -13.836 10.987 -9.907 1.00 65.32 H new ATOM 0 HG11 VAL A 15 -12.643 10.340 -7.853 1.00 13.22 H new ATOM 0 HG12 VAL A 15 -11.716 9.924 -9.314 1.00 13.22 H new ATOM 0 HG13 VAL A 15 -11.260 11.345 -8.345 1.00 13.22 H new ATOM 0 HG21 VAL A 15 -14.153 12.296 -7.849 1.00 14.52 H new ATOM 0 HG22 VAL A 15 -12.831 13.381 -8.339 1.00 14.52 H new ATOM 0 HG23 VAL A 15 -14.323 13.304 -9.305 1.00 14.52 H new ATOM 211 N THR A 16 -11.360 14.312 -9.988 1.00 32.42 N ATOM 212 CA THR A 16 -10.328 15.220 -9.505 1.00 23.55 C ATOM 213 C THR A 16 -10.818 16.021 -8.304 1.00 72.02 C ATOM 214 O THR A 16 -12.012 16.289 -8.170 1.00 54.00 O ATOM 215 CB THR A 16 -9.875 16.194 -10.608 1.00 54.31 C ATOM 216 OG1 THR A 16 -8.718 16.919 -10.177 1.00 51.33 O ATOM 217 CG2 THR A 16 -10.989 17.169 -10.959 1.00 13.32 C ATOM 0 H THR A 16 -12.279 14.741 -10.102 1.00 32.42 H new ATOM 0 HA THR A 16 -9.480 14.604 -9.205 1.00 23.55 H new ATOM 0 HB THR A 16 -9.628 15.613 -11.497 1.00 54.31 H new ATOM 0 HG1 THR A 16 -8.133 16.325 -9.661 1.00 51.33 H new ATOM 0 HG21 THR A 16 -10.646 17.847 -11.740 1.00 13.32 H new ATOM 0 HG22 THR A 16 -11.858 16.616 -11.315 1.00 13.32 H new ATOM 0 HG23 THR A 16 -11.262 17.744 -10.074 1.00 13.32 H new ATOM 225 N PHE A 17 -9.889 16.402 -7.433 1.00 74.14 N ATOM 226 CA PHE A 17 -10.228 17.173 -6.243 1.00 41.21 C ATOM 227 C PHE A 17 -9.204 18.278 -6.002 1.00 4.24 C ATOM 228 O PHE A 17 -8.072 18.206 -6.481 1.00 21.32 O ATOM 229 CB PHE A 17 -10.304 16.257 -5.020 1.00 70.22 C ATOM 230 CG PHE A 17 -11.145 15.032 -5.240 1.00 71.04 C ATOM 231 CD1 PHE A 17 -12.491 15.146 -5.551 1.00 65.02 C ATOM 232 CD2 PHE A 17 -10.590 13.767 -5.136 1.00 73.41 C ATOM 233 CE1 PHE A 17 -13.267 14.021 -5.755 1.00 33.02 C ATOM 234 CE2 PHE A 17 -11.362 12.638 -5.339 1.00 40.10 C ATOM 235 CZ PHE A 17 -12.702 12.765 -5.648 1.00 13.34 C ATOM 0 H PHE A 17 -8.896 16.189 -7.529 1.00 74.14 H new ATOM 0 HA PHE A 17 -11.203 17.633 -6.404 1.00 41.21 H new ATOM 0 HB2 PHE A 17 -9.296 15.951 -4.742 1.00 70.22 H new ATOM 0 HB3 PHE A 17 -10.709 16.820 -4.179 1.00 70.22 H new ATOM 0 HD1 PHE A 17 -12.938 16.125 -5.635 1.00 65.02 H new ATOM 0 HD2 PHE A 17 -9.543 13.661 -4.894 1.00 73.41 H new ATOM 0 HE1 PHE A 17 -14.314 14.124 -5.998 1.00 33.02 H new ATOM 0 HE2 PHE A 17 -10.917 11.657 -5.256 1.00 40.10 H new ATOM 0 HZ PHE A 17 -13.307 11.884 -5.806 1.00 13.34 H new ATOM 245 N ARG A 18 -9.610 19.300 -5.256 1.00 3.43 N ATOM 246 CA ARG A 18 -8.729 20.422 -4.952 1.00 21.34 C ATOM 247 C ARG A 18 -8.344 20.426 -3.475 1.00 64.42 C ATOM 248 O ARG A 18 -9.203 20.322 -2.599 1.00 62.13 O ATOM 249 CB ARG A 18 -9.407 21.744 -5.316 1.00 62.33 C ATOM 250 CG ARG A 18 -9.105 22.213 -6.730 1.00 2.40 C ATOM 251 CD ARG A 18 -10.345 22.777 -7.406 1.00 45.35 C ATOM 252 NE ARG A 18 -11.196 21.725 -7.953 1.00 73.54 N ATOM 253 CZ ARG A 18 -12.105 21.932 -8.899 1.00 55.14 C ATOM 254 NH1 ARG A 18 -12.280 23.147 -9.401 1.00 3.12 N ATOM 255 NH2 ARG A 18 -12.842 20.923 -9.346 1.00 14.01 N ATOM 0 H ARG A 18 -10.543 19.375 -4.851 1.00 3.43 H new ATOM 0 HA ARG A 18 -7.822 20.311 -5.547 1.00 21.34 H new ATOM 0 HB2 ARG A 18 -10.485 21.633 -5.201 1.00 62.33 H new ATOM 0 HB3 ARG A 18 -9.089 22.512 -4.611 1.00 62.33 H new ATOM 0 HG2 ARG A 18 -8.326 22.974 -6.703 1.00 2.40 H new ATOM 0 HG3 ARG A 18 -8.717 21.380 -7.316 1.00 2.40 H new ATOM 0 HD2 ARG A 18 -10.914 23.366 -6.687 1.00 45.35 H new ATOM 0 HD3 ARG A 18 -10.046 23.454 -8.206 1.00 45.35 H new ATOM 0 HE ARG A 18 -11.087 20.779 -7.589 1.00 73.54 H new ATOM 0 HH11 ARG A 18 -11.716 23.926 -9.061 1.00 3.12 H new ATOM 0 HH12 ARG A 18 -12.979 23.303 -10.127 1.00 3.12 H new ATOM 0 HH21 ARG A 18 -12.711 19.987 -8.963 1.00 14.01 H new ATOM 0 HH22 ARG A 18 -13.540 21.084 -10.073 1.00 14.01 H new ATOM 269 N ILE A 19 -7.048 20.545 -3.208 1.00 3.44 N ATOM 270 CA ILE A 19 -6.549 20.563 -1.838 1.00 14.21 C ATOM 271 C ILE A 19 -5.970 21.928 -1.482 1.00 22.14 C ATOM 272 O ILE A 19 -5.171 22.489 -2.232 1.00 3.12 O ATOM 273 CB ILE A 19 -5.471 19.486 -1.617 1.00 42.32 C ATOM 274 CG1 ILE A 19 -5.934 18.145 -2.189 1.00 63.13 C ATOM 275 CG2 ILE A 19 -5.150 19.354 -0.136 1.00 2.11 C ATOM 276 CD1 ILE A 19 -7.180 17.603 -1.526 1.00 34.12 C ATOM 0 H ILE A 19 -6.324 20.630 -3.922 1.00 3.44 H new ATOM 0 HA ILE A 19 -7.399 20.352 -1.190 1.00 14.21 H new ATOM 0 HB ILE A 19 -4.564 19.789 -2.140 1.00 42.32 H new ATOM 0 HG12 ILE A 19 -6.121 18.260 -3.257 1.00 63.13 H new ATOM 0 HG13 ILE A 19 -5.130 17.417 -2.083 1.00 63.13 H new ATOM 0 HG21 ILE A 19 -4.386 18.589 0.004 1.00 2.11 H new ATOM 0 HG22 ILE A 19 -4.782 20.307 0.243 1.00 2.11 H new ATOM 0 HG23 ILE A 19 -6.051 19.071 0.408 1.00 2.11 H new ATOM 0 HD11 ILE A 19 -7.450 16.651 -1.982 1.00 34.12 H new ATOM 0 HD12 ILE A 19 -6.992 17.456 -0.463 1.00 34.12 H new ATOM 0 HD13 ILE A 19 -7.998 18.312 -1.655 1.00 34.12 H new ATOM 288 N ILE A 20 -6.376 22.455 -0.332 1.00 14.32 N ATOM 289 CA ILE A 20 -5.895 23.753 0.125 1.00 20.14 C ATOM 290 C ILE A 20 -5.139 23.625 1.443 1.00 2.45 C ATOM 291 O ILE A 20 -5.740 23.434 2.501 1.00 13.02 O ATOM 292 CB ILE A 20 -7.053 24.752 0.306 1.00 75.53 C ATOM 293 CG1 ILE A 20 -7.752 25.003 -1.032 1.00 43.13 C ATOM 294 CG2 ILE A 20 -6.541 26.057 0.895 1.00 24.14 C ATOM 295 CD1 ILE A 20 -8.797 23.964 -1.373 1.00 42.03 C ATOM 0 H ILE A 20 -7.037 22.003 0.300 1.00 14.32 H new ATOM 0 HA ILE A 20 -5.220 24.128 -0.645 1.00 20.14 H new ATOM 0 HB ILE A 20 -7.777 24.324 0.999 1.00 75.53 H new ATOM 0 HG12 ILE A 20 -8.223 25.986 -1.008 1.00 43.13 H new ATOM 0 HG13 ILE A 20 -7.004 25.028 -1.824 1.00 43.13 H new ATOM 0 HG21 ILE A 20 -7.372 26.752 1.017 1.00 24.14 H new ATOM 0 HG22 ILE A 20 -6.085 25.864 1.866 1.00 24.14 H new ATOM 0 HG23 ILE A 20 -5.799 26.492 0.225 1.00 24.14 H new ATOM 0 HD11 ILE A 20 -9.251 24.206 -2.334 1.00 42.03 H new ATOM 0 HD12 ILE A 20 -8.328 22.982 -1.430 1.00 42.03 H new ATOM 0 HD13 ILE A 20 -9.566 23.955 -0.601 1.00 42.03 H new ATOM 307 N LEU A 21 -3.817 23.734 1.373 1.00 3.54 N ATOM 308 CA LEU A 21 -2.977 23.633 2.562 1.00 44.52 C ATOM 309 C LEU A 21 -2.864 24.982 3.265 1.00 1.22 C ATOM 310 O LEU A 21 -3.007 26.034 2.641 1.00 0.55 O ATOM 311 CB LEU A 21 -1.584 23.124 2.185 1.00 54.25 C ATOM 312 CG LEU A 21 -1.137 21.829 2.863 1.00 60.11 C ATOM 313 CD1 LEU A 21 -1.247 21.953 4.375 1.00 65.44 C ATOM 314 CD2 LEU A 21 -1.961 20.652 2.361 1.00 22.01 C ATOM 0 H LEU A 21 -3.303 23.892 0.506 1.00 3.54 H new ATOM 0 HA LEU A 21 -3.443 22.925 3.247 1.00 44.52 H new ATOM 0 HB2 LEU A 21 -1.553 22.975 1.106 1.00 54.25 H new ATOM 0 HB3 LEU A 21 -0.859 23.903 2.420 1.00 54.25 H new ATOM 0 HG LEU A 21 -0.092 21.650 2.609 1.00 60.11 H new ATOM 0 HD11 LEU A 21 -0.925 21.022 4.841 1.00 65.44 H new ATOM 0 HD12 LEU A 21 -0.613 22.770 4.720 1.00 65.44 H new ATOM 0 HD13 LEU A 21 -2.282 22.156 4.649 1.00 65.44 H new ATOM 0 HD21 LEU A 21 -1.629 19.739 2.854 1.00 22.01 H new ATOM 0 HD22 LEU A 21 -3.014 20.823 2.585 1.00 22.01 H new ATOM 0 HD23 LEU A 21 -1.831 20.550 1.284 1.00 22.01 H new ATOM 326 N THR A 22 -2.604 24.944 4.569 1.00 51.55 N ATOM 327 CA THR A 22 -2.471 26.163 5.357 1.00 62.11 C ATOM 328 C THR A 22 -1.010 26.582 5.479 1.00 31.42 C ATOM 329 O THR A 22 -0.709 27.736 5.782 1.00 24.12 O ATOM 330 CB THR A 22 -3.062 25.986 6.768 1.00 12.52 C ATOM 331 OG1 THR A 22 -4.297 25.266 6.695 1.00 34.31 O ATOM 332 CG2 THR A 22 -3.295 27.336 7.430 1.00 53.31 C ATOM 0 H THR A 22 -2.482 24.082 5.101 1.00 51.55 H new ATOM 0 HA THR A 22 -3.027 26.941 4.833 1.00 62.11 H new ATOM 0 HB THR A 22 -2.348 25.422 7.369 1.00 12.52 H new ATOM 0 HG1 THR A 22 -4.113 24.304 6.655 1.00 34.31 H new ATOM 0 HG21 THR A 22 -3.713 27.186 8.425 1.00 53.31 H new ATOM 0 HG22 THR A 22 -2.348 27.870 7.511 1.00 53.31 H new ATOM 0 HG23 THR A 22 -3.991 27.921 6.829 1.00 53.31 H new ATOM 340 N SER A 23 -0.106 25.636 5.241 1.00 54.42 N ATOM 341 CA SER A 23 1.324 25.907 5.327 1.00 12.04 C ATOM 342 C SER A 23 1.920 26.125 3.940 1.00 4.22 C ATOM 343 O SER A 23 3.024 26.651 3.804 1.00 5.10 O ATOM 344 CB SER A 23 2.042 24.752 6.028 1.00 75.43 C ATOM 345 OG SER A 23 3.427 25.017 6.160 1.00 2.20 O ATOM 0 H SER A 23 -0.339 24.676 4.987 1.00 54.42 H new ATOM 0 HA SER A 23 1.462 26.818 5.909 1.00 12.04 H new ATOM 0 HB2 SER A 23 1.604 24.592 7.013 1.00 75.43 H new ATOM 0 HB3 SER A 23 1.897 23.832 5.461 1.00 75.43 H new ATOM 0 HG SER A 23 3.728 25.568 5.407 1.00 2.20 H new ATOM 351 N GLU A 24 1.181 25.717 2.914 1.00 72.41 N ATOM 352 CA GLU A 24 1.637 25.866 1.537 1.00 51.40 C ATOM 353 C GLU A 24 1.132 27.175 0.936 1.00 72.12 C ATOM 354 O GLU A 24 0.479 27.179 -0.108 1.00 14.53 O ATOM 355 CB GLU A 24 1.162 24.685 0.688 1.00 43.53 C ATOM 356 CG GLU A 24 2.083 24.365 -0.478 1.00 20.13 C ATOM 357 CD GLU A 24 3.494 24.031 -0.032 1.00 54.42 C ATOM 358 OE1 GLU A 24 4.434 24.261 -0.821 1.00 61.03 O ATOM 359 OE2 GLU A 24 3.657 23.541 1.104 1.00 1.04 O ATOM 0 H GLU A 24 0.264 25.281 3.010 1.00 72.41 H new ATOM 0 HA GLU A 24 2.727 25.885 1.542 1.00 51.40 H new ATOM 0 HB2 GLU A 24 1.074 23.804 1.323 1.00 43.53 H new ATOM 0 HB3 GLU A 24 0.165 24.902 0.304 1.00 43.53 H new ATOM 0 HG2 GLU A 24 1.675 23.524 -1.039 1.00 20.13 H new ATOM 0 HG3 GLU A 24 2.113 25.217 -1.157 1.00 20.13 H new ATOM 366 N ARG A 25 1.439 28.283 1.602 1.00 33.15 N ATOM 367 CA ARG A 25 1.015 29.597 1.136 1.00 52.51 C ATOM 368 C ARG A 25 1.632 29.917 -0.223 1.00 13.14 C ATOM 369 O ARG A 25 1.172 30.815 -0.928 1.00 63.14 O ATOM 370 CB ARG A 25 1.406 30.673 2.151 1.00 35.02 C ATOM 371 CG ARG A 25 0.407 30.831 3.286 1.00 30.52 C ATOM 372 CD ARG A 25 -0.344 32.149 3.189 1.00 44.52 C ATOM 373 NE ARG A 25 0.534 33.296 3.406 1.00 44.24 N ATOM 374 CZ ARG A 25 0.092 34.520 3.671 1.00 43.54 C ATOM 375 NH1 ARG A 25 -1.210 34.756 3.752 1.00 70.43 N ATOM 376 NH2 ARG A 25 0.954 35.513 3.856 1.00 72.42 N ATOM 0 H ARG A 25 1.980 28.297 2.467 1.00 33.15 H new ATOM 0 HA ARG A 25 -0.070 29.584 1.030 1.00 52.51 H new ATOM 0 HB2 ARG A 25 2.382 30.429 2.569 1.00 35.02 H new ATOM 0 HB3 ARG A 25 1.510 31.627 1.634 1.00 35.02 H new ATOM 0 HG2 ARG A 25 -0.303 30.004 3.265 1.00 30.52 H new ATOM 0 HG3 ARG A 25 0.929 30.778 4.241 1.00 30.52 H new ATOM 0 HD2 ARG A 25 -0.810 32.230 2.207 1.00 44.52 H new ATOM 0 HD3 ARG A 25 -1.148 32.163 3.925 1.00 44.52 H new ATOM 0 HE ARG A 25 1.542 33.149 3.351 1.00 44.24 H new ATOM 0 HH11 ARG A 25 -1.876 33.996 3.611 1.00 70.43 H new ATOM 0 HH12 ARG A 25 -1.546 35.697 3.956 1.00 70.43 H new ATOM 0 HH21 ARG A 25 1.957 35.336 3.795 1.00 72.42 H new ATOM 0 HH22 ARG A 25 0.613 36.453 4.059 1.00 72.42 H new ATOM 390 N SER A 26 2.675 29.177 -0.582 1.00 24.51 N ATOM 391 CA SER A 26 3.358 29.384 -1.854 1.00 22.24 C ATOM 392 C SER A 26 2.390 29.225 -3.022 1.00 64.31 C ATOM 393 O SER A 26 2.545 29.866 -4.061 1.00 0.32 O ATOM 394 CB SER A 26 4.519 28.398 -2.000 1.00 31.20 C ATOM 395 OG SER A 26 5.712 29.066 -2.371 1.00 1.22 O ATOM 0 H SER A 26 3.066 28.428 -0.010 1.00 24.51 H new ATOM 0 HA SER A 26 3.751 30.401 -1.866 1.00 22.24 H new ATOM 0 HB2 SER A 26 4.672 27.870 -1.059 1.00 31.20 H new ATOM 0 HB3 SER A 26 4.270 27.647 -2.750 1.00 31.20 H new ATOM 0 HG SER A 26 6.439 28.414 -2.456 1.00 1.22 H new ATOM 401 N GLN A 27 1.393 28.365 -2.843 1.00 73.11 N ATOM 402 CA GLN A 27 0.400 28.120 -3.883 1.00 12.54 C ATOM 403 C GLN A 27 -0.637 27.104 -3.417 1.00 31.24 C ATOM 404 O GLN A 27 -0.708 25.980 -3.915 1.00 53.32 O ATOM 405 CB GLN A 27 1.079 27.625 -5.160 1.00 65.41 C ATOM 406 CG GLN A 27 2.100 26.524 -4.918 1.00 74.35 C ATOM 407 CD GLN A 27 2.463 25.776 -6.186 1.00 50.34 C ATOM 408 OE1 GLN A 27 1.638 25.621 -7.087 1.00 41.13 O ATOM 409 NE2 GLN A 27 3.703 25.308 -6.263 1.00 43.42 N ATOM 0 H GLN A 27 1.251 27.826 -1.989 1.00 73.11 H new ATOM 0 HA GLN A 27 -0.109 29.061 -4.093 1.00 12.54 H new ATOM 0 HB2 GLN A 27 0.317 27.258 -5.848 1.00 65.41 H new ATOM 0 HB3 GLN A 27 1.572 28.465 -5.649 1.00 65.41 H new ATOM 0 HG2 GLN A 27 3.002 26.958 -4.486 1.00 74.35 H new ATOM 0 HG3 GLN A 27 1.703 25.820 -4.186 1.00 74.35 H new ATOM 0 HE21 GLN A 27 4.354 25.459 -5.493 1.00 43.42 H new ATOM 0 HE22 GLN A 27 4.005 24.797 -7.093 1.00 43.42 H new ATOM 418 N PRO A 28 -1.461 27.505 -2.437 1.00 70.31 N ATOM 419 CA PRO A 28 -2.509 26.643 -1.882 1.00 54.23 C ATOM 420 C PRO A 28 -3.644 26.401 -2.871 1.00 73.15 C ATOM 421 O PRO A 28 -4.717 26.994 -2.758 1.00 52.21 O ATOM 422 CB PRO A 28 -3.014 27.433 -0.672 1.00 51.12 C ATOM 423 CG PRO A 28 -2.703 28.855 -0.991 1.00 70.32 C ATOM 424 CD PRO A 28 -1.433 28.830 -1.796 1.00 50.10 C ATOM 0 HA PRO A 28 -2.132 25.651 -1.634 1.00 54.23 H new ATOM 0 HB2 PRO A 28 -4.083 27.286 -0.522 1.00 51.12 H new ATOM 0 HB3 PRO A 28 -2.516 27.115 0.244 1.00 51.12 H new ATOM 0 HG2 PRO A 28 -3.514 29.315 -1.556 1.00 70.32 H new ATOM 0 HG3 PRO A 28 -2.577 29.441 -0.080 1.00 70.32 H new ATOM 0 HD2 PRO A 28 -1.409 29.633 -2.533 1.00 50.10 H new ATOM 0 HD3 PRO A 28 -0.554 28.952 -1.163 1.00 50.10 H new ATOM 432 N PHE A 29 -3.401 25.526 -3.841 1.00 71.52 N ATOM 433 CA PHE A 29 -4.403 25.205 -4.851 1.00 52.21 C ATOM 434 C PHE A 29 -3.891 24.129 -5.803 1.00 61.43 C ATOM 435 O PHE A 29 -3.883 24.314 -7.020 1.00 73.14 O ATOM 436 CB PHE A 29 -4.783 26.460 -5.639 1.00 41.43 C ATOM 437 CG PHE A 29 -6.215 26.473 -6.094 1.00 25.34 C ATOM 438 CD1 PHE A 29 -6.561 26.000 -7.349 1.00 41.22 C ATOM 439 CD2 PHE A 29 -7.214 26.957 -5.265 1.00 41.42 C ATOM 440 CE1 PHE A 29 -7.877 26.010 -7.770 1.00 74.32 C ATOM 441 CE2 PHE A 29 -8.532 26.969 -5.681 1.00 0.05 C ATOM 442 CZ PHE A 29 -8.864 26.496 -6.935 1.00 30.20 C ATOM 0 H PHE A 29 -2.518 25.026 -3.949 1.00 71.52 H new ATOM 0 HA PHE A 29 -5.287 24.823 -4.341 1.00 52.21 H new ATOM 0 HB2 PHE A 29 -4.599 27.338 -5.019 1.00 41.43 H new ATOM 0 HB3 PHE A 29 -4.133 26.543 -6.510 1.00 41.43 H new ATOM 0 HD1 PHE A 29 -5.793 25.619 -8.006 1.00 41.22 H new ATOM 0 HD2 PHE A 29 -6.960 27.329 -4.283 1.00 41.42 H new ATOM 0 HE1 PHE A 29 -8.134 25.638 -8.751 1.00 74.32 H new ATOM 0 HE2 PHE A 29 -9.302 27.348 -5.025 1.00 0.05 H new ATOM 0 HZ PHE A 29 -9.893 26.506 -7.262 1.00 30.20 H new ATOM 452 N ARG A 30 -3.463 23.004 -5.240 1.00 20.42 N ATOM 453 CA ARG A 30 -2.947 21.898 -6.037 1.00 72.44 C ATOM 454 C ARG A 30 -4.052 20.894 -6.355 1.00 13.43 C ATOM 455 O ARG A 30 -4.661 20.319 -5.452 1.00 50.34 O ATOM 456 CB ARG A 30 -1.805 21.198 -5.299 1.00 62.40 C ATOM 457 CG ARG A 30 -1.230 20.009 -6.053 1.00 11.52 C ATOM 458 CD ARG A 30 -0.428 20.454 -7.266 1.00 2.34 C ATOM 459 NE ARG A 30 1.010 20.316 -7.052 1.00 22.25 N ATOM 460 CZ ARG A 30 1.925 20.972 -7.756 1.00 52.54 C ATOM 461 NH1 ARG A 30 1.553 21.809 -8.715 1.00 53.04 N ATOM 462 NH2 ARG A 30 3.215 20.793 -7.502 1.00 53.32 N ATOM 0 H ARG A 30 -3.463 22.834 -4.234 1.00 20.42 H new ATOM 0 HA ARG A 30 -2.569 22.305 -6.975 1.00 72.44 H new ATOM 0 HB2 ARG A 30 -1.009 21.919 -5.112 1.00 62.40 H new ATOM 0 HB3 ARG A 30 -2.165 20.861 -4.327 1.00 62.40 H new ATOM 0 HG2 ARG A 30 -0.592 19.428 -5.387 1.00 11.52 H new ATOM 0 HG3 ARG A 30 -2.040 19.353 -6.372 1.00 11.52 H new ATOM 0 HD2 ARG A 30 -0.724 19.863 -8.133 1.00 2.34 H new ATOM 0 HD3 ARG A 30 -0.662 21.494 -7.494 1.00 2.34 H new ATOM 0 HE ARG A 30 1.329 19.680 -6.321 1.00 22.25 H new ATOM 0 HH11 ARG A 30 0.562 21.950 -8.913 1.00 53.04 H new ATOM 0 HH12 ARG A 30 2.258 22.312 -9.255 1.00 53.04 H new ATOM 0 HH21 ARG A 30 3.505 20.151 -6.765 1.00 53.32 H new ATOM 0 HH22 ARG A 30 3.916 21.298 -8.044 1.00 53.32 H new ATOM 476 N VAL A 31 -4.306 20.690 -7.643 1.00 75.43 N ATOM 477 CA VAL A 31 -5.338 19.756 -8.080 1.00 65.12 C ATOM 478 C VAL A 31 -4.771 18.351 -8.248 1.00 22.52 C ATOM 479 O VAL A 31 -3.681 18.171 -8.791 1.00 64.14 O ATOM 480 CB VAL A 31 -5.973 20.203 -9.410 1.00 10.31 C ATOM 481 CG1 VAL A 31 -7.170 19.329 -9.751 1.00 14.25 C ATOM 482 CG2 VAL A 31 -6.375 21.669 -9.341 1.00 63.14 C ATOM 0 H VAL A 31 -3.812 21.158 -8.403 1.00 75.43 H new ATOM 0 HA VAL A 31 -6.105 19.746 -7.305 1.00 65.12 H new ATOM 0 HB VAL A 31 -5.233 20.089 -10.203 1.00 10.31 H new ATOM 0 HG11 VAL A 31 -7.605 19.660 -10.694 1.00 14.25 H new ATOM 0 HG12 VAL A 31 -6.848 18.292 -9.844 1.00 14.25 H new ATOM 0 HG13 VAL A 31 -7.915 19.408 -8.960 1.00 14.25 H new ATOM 0 HG21 VAL A 31 -6.822 21.969 -10.289 1.00 63.14 H new ATOM 0 HG22 VAL A 31 -7.098 21.811 -8.538 1.00 63.14 H new ATOM 0 HG23 VAL A 31 -5.493 22.279 -9.147 1.00 63.14 H new ATOM 492 N ILE A 32 -5.518 17.357 -7.778 1.00 51.40 N ATOM 493 CA ILE A 32 -5.091 15.967 -7.878 1.00 3.44 C ATOM 494 C ILE A 32 -6.097 15.138 -8.667 1.00 75.13 C ATOM 495 O ILE A 32 -7.308 15.283 -8.496 1.00 3.44 O ATOM 496 CB ILE A 32 -4.901 15.336 -6.486 1.00 32.41 C ATOM 497 CG1 ILE A 32 -6.220 15.354 -5.710 1.00 23.42 C ATOM 498 CG2 ILE A 32 -3.816 16.071 -5.714 1.00 22.22 C ATOM 499 CD1 ILE A 32 -7.031 14.087 -5.868 1.00 54.12 C ATOM 0 H ILE A 32 -6.422 17.489 -7.324 1.00 51.40 H new ATOM 0 HA ILE A 32 -4.135 15.967 -8.402 1.00 3.44 H new ATOM 0 HB ILE A 32 -4.589 14.299 -6.613 1.00 32.41 H new ATOM 0 HG12 ILE A 32 -6.008 15.511 -4.652 1.00 23.42 H new ATOM 0 HG13 ILE A 32 -6.817 16.202 -6.044 1.00 23.42 H new ATOM 0 HG21 ILE A 32 -3.694 15.613 -4.732 1.00 22.22 H new ATOM 0 HG22 ILE A 32 -2.876 16.011 -6.262 1.00 22.22 H new ATOM 0 HG23 ILE A 32 -4.100 17.116 -5.594 1.00 22.22 H new ATOM 0 HD11 ILE A 32 -7.952 14.170 -5.291 1.00 54.12 H new ATOM 0 HD12 ILE A 32 -7.274 13.939 -6.920 1.00 54.12 H new ATOM 0 HD13 ILE A 32 -6.452 13.237 -5.507 1.00 54.12 H new ATOM 511 N SER A 33 -5.589 14.266 -9.532 1.00 41.12 N ATOM 512 CA SER A 33 -6.444 13.414 -10.350 1.00 65.24 C ATOM 513 C SER A 33 -6.331 11.955 -9.917 1.00 0.32 C ATOM 514 O SER A 33 -5.230 11.425 -9.764 1.00 11.33 O ATOM 515 CB SER A 33 -6.070 13.549 -11.828 1.00 22.32 C ATOM 516 OG SER A 33 -4.664 13.623 -11.994 1.00 15.14 O ATOM 0 H SER A 33 -4.590 14.131 -9.684 1.00 41.12 H new ATOM 0 HA SER A 33 -7.476 13.737 -10.212 1.00 65.24 H new ATOM 0 HB2 SER A 33 -6.461 12.697 -12.384 1.00 22.32 H new ATOM 0 HB3 SER A 33 -6.536 14.442 -12.244 1.00 22.32 H new ATOM 0 HG SER A 33 -4.451 13.707 -12.947 1.00 15.14 H new ATOM 522 N ILE A 34 -7.477 11.313 -9.721 1.00 34.04 N ATOM 523 CA ILE A 34 -7.508 9.916 -9.306 1.00 34.02 C ATOM 524 C ILE A 34 -8.760 9.216 -9.824 1.00 14.41 C ATOM 525 O ILE A 34 -9.735 9.866 -10.202 1.00 31.42 O ATOM 526 CB ILE A 34 -7.457 9.783 -7.772 1.00 60.23 C ATOM 527 CG1 ILE A 34 -8.663 10.479 -7.137 1.00 64.34 C ATOM 528 CG2 ILE A 34 -6.158 10.364 -7.233 1.00 55.34 C ATOM 529 CD1 ILE A 34 -8.694 10.377 -5.628 1.00 64.25 C ATOM 0 H ILE A 34 -8.396 11.738 -9.843 1.00 34.04 H new ATOM 0 HA ILE A 34 -6.625 9.440 -9.734 1.00 34.02 H new ATOM 0 HB ILE A 34 -7.494 8.725 -7.512 1.00 60.23 H new ATOM 0 HG12 ILE A 34 -8.657 11.531 -7.422 1.00 64.34 H new ATOM 0 HG13 ILE A 34 -9.577 10.045 -7.541 1.00 64.34 H new ATOM 0 HG21 ILE A 34 -6.137 10.263 -6.148 1.00 55.34 H new ATOM 0 HG22 ILE A 34 -5.313 9.827 -7.664 1.00 55.34 H new ATOM 0 HG23 ILE A 34 -6.093 11.419 -7.500 1.00 55.34 H new ATOM 0 HD11 ILE A 34 -9.575 10.892 -5.247 1.00 64.25 H new ATOM 0 HD12 ILE A 34 -8.732 9.328 -5.335 1.00 64.25 H new ATOM 0 HD13 ILE A 34 -7.797 10.837 -5.214 1.00 64.25 H new ATOM 541 N ALA A 35 -8.727 7.888 -9.837 1.00 23.22 N ATOM 542 CA ALA A 35 -9.860 7.099 -10.305 1.00 0.55 C ATOM 543 C ALA A 35 -11.008 7.139 -9.301 1.00 41.44 C ATOM 544 O ALA A 35 -10.789 7.081 -8.092 1.00 61.10 O ATOM 545 CB ALA A 35 -9.432 5.662 -10.563 1.00 53.42 C ATOM 0 H ALA A 35 -7.927 7.335 -9.529 1.00 23.22 H new ATOM 0 HA ALA A 35 -10.213 7.534 -11.240 1.00 0.55 H new ATOM 0 HB1 ALA A 35 -10.288 5.084 -10.912 1.00 53.42 H new ATOM 0 HB2 ALA A 35 -8.650 5.646 -11.322 1.00 53.42 H new ATOM 0 HB3 ALA A 35 -9.051 5.225 -9.640 1.00 53.42 H new ATOM 551 N GLU A 36 -12.231 7.240 -9.812 1.00 50.04 N ATOM 552 CA GLU A 36 -13.413 7.289 -8.960 1.00 3.45 C ATOM 553 C GLU A 36 -13.514 6.034 -8.097 1.00 52.52 C ATOM 554 O GLU A 36 -14.160 6.040 -7.050 1.00 21.22 O ATOM 555 CB GLU A 36 -14.676 7.441 -9.809 1.00 52.21 C ATOM 556 CG GLU A 36 -14.565 8.514 -10.879 1.00 41.21 C ATOM 557 CD GLU A 36 -15.804 9.384 -10.964 1.00 73.34 C ATOM 558 OE1 GLU A 36 -15.661 10.595 -11.235 1.00 72.41 O ATOM 559 OE2 GLU A 36 -16.917 8.854 -10.761 1.00 5.15 O ATOM 0 H GLU A 36 -12.429 7.289 -10.811 1.00 50.04 H new ATOM 0 HA GLU A 36 -13.320 8.154 -8.303 1.00 3.45 H new ATOM 0 HB2 GLU A 36 -14.900 6.487 -10.285 1.00 52.21 H new ATOM 0 HB3 GLU A 36 -15.516 7.677 -9.156 1.00 52.21 H new ATOM 0 HG2 GLU A 36 -13.699 9.142 -10.670 1.00 41.21 H new ATOM 0 HG3 GLU A 36 -14.391 8.041 -11.846 1.00 41.21 H new ATOM 566 N GLU A 37 -12.872 4.961 -8.547 1.00 22.00 N ATOM 567 CA GLU A 37 -12.891 3.699 -7.817 1.00 70.43 C ATOM 568 C GLU A 37 -11.559 3.456 -7.114 1.00 45.22 C ATOM 569 O GLU A 37 -11.437 2.555 -6.285 1.00 60.35 O ATOM 570 CB GLU A 37 -13.197 2.539 -8.768 1.00 10.22 C ATOM 571 CG GLU A 37 -14.339 1.653 -8.299 1.00 41.12 C ATOM 572 CD GLU A 37 -13.861 0.308 -7.788 1.00 73.54 C ATOM 573 OE1 GLU A 37 -13.589 -0.580 -8.623 1.00 64.44 O ATOM 574 OE2 GLU A 37 -13.761 0.142 -6.555 1.00 4.21 O ATOM 0 H GLU A 37 -12.333 4.940 -9.413 1.00 22.00 H new ATOM 0 HA GLU A 37 -13.675 3.758 -7.062 1.00 70.43 H new ATOM 0 HB2 GLU A 37 -13.440 2.941 -9.751 1.00 10.22 H new ATOM 0 HB3 GLU A 37 -12.301 1.930 -8.885 1.00 10.22 H new ATOM 0 HG2 GLU A 37 -14.889 2.163 -7.508 1.00 41.12 H new ATOM 0 HG3 GLU A 37 -15.036 1.498 -9.123 1.00 41.12 H new ATOM 581 N ALA A 38 -10.562 4.268 -7.452 1.00 63.43 N ATOM 582 CA ALA A 38 -9.239 4.143 -6.853 1.00 63.03 C ATOM 583 C ALA A 38 -9.164 4.892 -5.527 1.00 43.22 C ATOM 584 O ALA A 38 -9.900 5.849 -5.285 1.00 21.35 O ATOM 585 CB ALA A 38 -8.175 4.656 -7.812 1.00 63.24 C ATOM 0 H ALA A 38 -10.646 5.019 -8.137 1.00 63.43 H new ATOM 0 HA ALA A 38 -9.055 3.087 -6.655 1.00 63.03 H new ATOM 0 HB1 ALA A 38 -7.192 4.557 -7.352 1.00 63.24 H new ATOM 0 HB2 ALA A 38 -8.205 4.074 -8.733 1.00 63.24 H new ATOM 0 HB3 ALA A 38 -8.365 5.705 -8.039 1.00 63.24 H new ATOM 591 N PRO A 39 -8.254 4.449 -4.647 1.00 20.02 N ATOM 592 CA PRO A 39 -8.062 5.064 -3.330 1.00 63.30 C ATOM 593 C PRO A 39 -7.438 6.452 -3.424 1.00 12.10 C ATOM 594 O PRO A 39 -6.870 6.821 -4.453 1.00 75.31 O ATOM 595 CB PRO A 39 -7.109 4.097 -2.623 1.00 31.52 C ATOM 596 CG PRO A 39 -6.373 3.416 -3.725 1.00 2.22 C ATOM 597 CD PRO A 39 -7.343 3.314 -4.869 1.00 63.23 C ATOM 0 HA PRO A 39 -9.007 5.212 -2.807 1.00 63.30 H new ATOM 0 HB2 PRO A 39 -6.426 4.628 -1.960 1.00 31.52 H new ATOM 0 HB3 PRO A 39 -7.655 3.380 -2.010 1.00 31.52 H new ATOM 0 HG2 PRO A 39 -5.488 3.984 -4.013 1.00 2.22 H new ATOM 0 HG3 PRO A 39 -6.031 2.429 -3.414 1.00 2.22 H new ATOM 0 HD2 PRO A 39 -6.838 3.387 -5.832 1.00 63.23 H new ATOM 0 HD3 PRO A 39 -7.876 2.363 -4.860 1.00 63.23 H new ATOM 605 N LEU A 40 -7.547 7.218 -2.344 1.00 43.54 N ATOM 606 CA LEU A 40 -6.993 8.567 -2.305 1.00 4.43 C ATOM 607 C LEU A 40 -5.470 8.533 -2.382 1.00 24.10 C ATOM 608 O LEU A 40 -4.827 9.547 -2.656 1.00 54.42 O ATOM 609 CB LEU A 40 -7.434 9.284 -1.027 1.00 63.12 C ATOM 610 CG LEU A 40 -6.669 10.560 -0.675 1.00 44.01 C ATOM 611 CD1 LEU A 40 -7.600 11.584 -0.044 1.00 24.41 C ATOM 612 CD2 LEU A 40 -5.508 10.246 0.257 1.00 23.23 C ATOM 0 H LEU A 40 -8.013 6.928 -1.484 1.00 43.54 H new ATOM 0 HA LEU A 40 -7.370 9.113 -3.170 1.00 4.43 H new ATOM 0 HB2 LEU A 40 -8.491 9.532 -1.120 1.00 63.12 H new ATOM 0 HB3 LEU A 40 -7.342 8.588 -0.193 1.00 63.12 H new ATOM 0 HG LEU A 40 -6.266 10.984 -1.595 1.00 44.01 H new ATOM 0 HD11 LEU A 40 -7.038 12.485 0.200 1.00 24.41 H new ATOM 0 HD12 LEU A 40 -8.397 11.832 -0.745 1.00 24.41 H new ATOM 0 HD13 LEU A 40 -8.033 11.170 0.866 1.00 24.41 H new ATOM 0 HD21 LEU A 40 -4.975 11.166 0.497 1.00 23.23 H new ATOM 0 HD22 LEU A 40 -5.889 9.798 1.175 1.00 23.23 H new ATOM 0 HD23 LEU A 40 -4.827 9.549 -0.232 1.00 23.23 H new ATOM 624 N THR A 41 -4.896 7.358 -2.140 1.00 52.04 N ATOM 625 CA THR A 41 -3.449 7.191 -2.184 1.00 31.55 C ATOM 626 C THR A 41 -2.868 7.760 -3.473 1.00 21.24 C ATOM 627 O THR A 41 -1.757 8.289 -3.483 1.00 51.20 O ATOM 628 CB THR A 41 -3.052 5.707 -2.066 1.00 4.03 C ATOM 629 OG1 THR A 41 -3.594 5.148 -0.864 1.00 54.32 O ATOM 630 CG2 THR A 41 -1.538 5.551 -2.065 1.00 74.32 C ATOM 0 H THR A 41 -5.412 6.508 -1.912 1.00 52.04 H new ATOM 0 HA THR A 41 -3.042 7.738 -1.334 1.00 31.55 H new ATOM 0 HB THR A 41 -3.457 5.176 -2.928 1.00 4.03 H new ATOM 0 HG1 THR A 41 -3.338 4.204 -0.798 1.00 54.32 H new ATOM 0 HG21 THR A 41 -1.281 4.495 -1.981 1.00 74.32 H new ATOM 0 HG22 THR A 41 -1.130 5.951 -2.994 1.00 74.32 H new ATOM 0 HG23 THR A 41 -1.117 6.095 -1.220 1.00 74.32 H new ATOM 638 N ALA A 42 -3.626 7.648 -4.558 1.00 73.12 N ATOM 639 CA ALA A 42 -3.187 8.154 -5.853 1.00 10.35 C ATOM 640 C ALA A 42 -2.925 9.656 -5.795 1.00 34.54 C ATOM 641 O ALA A 42 -1.992 10.157 -6.420 1.00 61.02 O ATOM 642 CB ALA A 42 -4.222 7.838 -6.922 1.00 61.20 C ATOM 0 H ALA A 42 -4.548 7.211 -4.566 1.00 73.12 H new ATOM 0 HA ALA A 42 -2.252 7.658 -6.111 1.00 10.35 H new ATOM 0 HB1 ALA A 42 -3.881 8.222 -7.883 1.00 61.20 H new ATOM 0 HB2 ALA A 42 -4.357 6.759 -6.989 1.00 61.20 H new ATOM 0 HB3 ALA A 42 -5.170 8.307 -6.660 1.00 61.20 H new ATOM 648 N ALA A 43 -3.756 10.368 -5.040 1.00 72.43 N ATOM 649 CA ALA A 43 -3.613 11.811 -4.900 1.00 55.41 C ATOM 650 C ALA A 43 -2.366 12.164 -4.097 1.00 12.31 C ATOM 651 O ALA A 43 -1.786 13.237 -4.270 1.00 54.24 O ATOM 652 CB ALA A 43 -4.852 12.403 -4.243 1.00 23.22 C ATOM 0 H ALA A 43 -4.535 9.968 -4.516 1.00 72.43 H new ATOM 0 HA ALA A 43 -3.504 12.239 -5.897 1.00 55.41 H new ATOM 0 HB1 ALA A 43 -4.731 13.482 -4.145 1.00 23.22 H new ATOM 0 HB2 ALA A 43 -5.727 12.190 -4.858 1.00 23.22 H new ATOM 0 HB3 ALA A 43 -4.986 11.961 -3.256 1.00 23.22 H new ATOM 658 N LEU A 44 -1.958 11.256 -3.217 1.00 52.23 N ATOM 659 CA LEU A 44 -0.779 11.472 -2.386 1.00 61.01 C ATOM 660 C LEU A 44 0.413 11.906 -3.234 1.00 33.05 C ATOM 661 O LEU A 44 1.283 12.642 -2.768 1.00 31.11 O ATOM 662 CB LEU A 44 -0.434 10.197 -1.615 1.00 63.54 C ATOM 663 CG LEU A 44 0.676 10.323 -0.571 1.00 0.00 C ATOM 664 CD1 LEU A 44 0.361 9.471 0.649 1.00 54.32 C ATOM 665 CD2 LEU A 44 2.018 9.926 -1.168 1.00 42.22 C ATOM 0 H LEU A 44 -2.426 10.363 -3.061 1.00 52.23 H new ATOM 0 HA LEU A 44 -1.005 12.268 -1.677 1.00 61.01 H new ATOM 0 HB2 LEU A 44 -1.336 9.843 -1.116 1.00 63.54 H new ATOM 0 HB3 LEU A 44 -0.145 9.429 -2.333 1.00 63.54 H new ATOM 0 HG LEU A 44 0.735 11.365 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.162 9.573 1.381 1.00 54.32 H new ATOM 0 HD12 LEU A 44 -0.579 9.802 1.091 1.00 54.32 H new ATOM 0 HD13 LEU A 44 0.274 8.426 0.351 1.00 54.32 H new ATOM 0 HD21 LEU A 44 2.796 10.022 -0.411 1.00 42.22 H new ATOM 0 HD22 LEU A 44 1.972 8.893 -1.512 1.00 42.22 H new ATOM 0 HD23 LEU A 44 2.249 10.579 -2.010 1.00 42.22 H new ATOM 677 N ARG A 45 0.444 11.447 -4.480 1.00 70.03 N ATOM 678 CA ARG A 45 1.528 11.789 -5.393 1.00 62.43 C ATOM 679 C ARG A 45 1.760 13.296 -5.421 1.00 44.54 C ATOM 680 O ARG A 45 2.872 13.769 -5.181 1.00 33.42 O ATOM 681 CB ARG A 45 1.215 11.284 -6.803 1.00 34.31 C ATOM 682 CG ARG A 45 2.378 11.419 -7.771 1.00 42.43 C ATOM 683 CD ARG A 45 1.930 11.225 -9.211 1.00 61.04 C ATOM 684 NE ARG A 45 2.971 10.609 -10.030 1.00 40.41 N ATOM 685 CZ ARG A 45 4.003 11.279 -10.533 1.00 34.43 C ATOM 686 NH1 ARG A 45 4.131 12.578 -10.301 1.00 34.21 N ATOM 687 NH2 ARG A 45 4.909 10.648 -11.268 1.00 41.14 N ATOM 0 H ARG A 45 -0.269 10.837 -4.881 1.00 70.03 H new ATOM 0 HA ARG A 45 2.437 11.305 -5.035 1.00 62.43 H new ATOM 0 HB2 ARG A 45 0.920 10.236 -6.747 1.00 34.31 H new ATOM 0 HB3 ARG A 45 0.361 11.835 -7.196 1.00 34.31 H new ATOM 0 HG2 ARG A 45 2.833 12.403 -7.660 1.00 42.43 H new ATOM 0 HG3 ARG A 45 3.145 10.684 -7.525 1.00 42.43 H new ATOM 0 HD2 ARG A 45 1.036 10.602 -9.232 1.00 61.04 H new ATOM 0 HD3 ARG A 45 1.656 12.189 -9.638 1.00 61.04 H new ATOM 0 HE ARG A 45 2.902 9.610 -10.227 1.00 40.41 H new ATOM 0 HH11 ARG A 45 3.437 13.066 -9.735 1.00 34.21 H new ATOM 0 HH12 ARG A 45 4.924 13.090 -10.688 1.00 34.21 H new ATOM 0 HH21 ARG A 45 4.814 9.648 -11.447 1.00 41.14 H new ATOM 0 HH22 ARG A 45 5.701 11.162 -11.654 1.00 41.14 H new ATOM 701 N PHE A 46 0.705 14.047 -5.717 1.00 55.14 N ATOM 702 CA PHE A 46 0.793 15.501 -5.779 1.00 4.43 C ATOM 703 C PHE A 46 0.578 16.118 -4.400 1.00 13.03 C ATOM 704 O PHE A 46 1.061 17.213 -4.115 1.00 40.55 O ATOM 705 CB PHE A 46 -0.237 16.055 -6.764 1.00 54.44 C ATOM 706 CG PHE A 46 0.244 16.075 -8.187 1.00 74.42 C ATOM 707 CD1 PHE A 46 0.228 14.920 -8.953 1.00 44.11 C ATOM 708 CD2 PHE A 46 0.711 17.247 -8.758 1.00 45.04 C ATOM 709 CE1 PHE A 46 0.670 14.934 -10.263 1.00 0.41 C ATOM 710 CE2 PHE A 46 1.154 17.267 -10.068 1.00 11.44 C ATOM 711 CZ PHE A 46 1.134 16.110 -10.820 1.00 63.53 C ATOM 0 H PHE A 46 -0.222 13.672 -5.918 1.00 55.14 H new ATOM 0 HA PHE A 46 1.793 15.765 -6.124 1.00 4.43 H new ATOM 0 HB2 PHE A 46 -1.145 15.454 -6.704 1.00 54.44 H new ATOM 0 HB3 PHE A 46 -0.505 17.068 -6.465 1.00 54.44 H new ATOM 0 HD1 PHE A 46 -0.134 13.998 -8.522 1.00 44.11 H new ATOM 0 HD2 PHE A 46 0.729 18.155 -8.174 1.00 45.04 H new ATOM 0 HE1 PHE A 46 0.653 14.027 -10.850 1.00 0.41 H new ATOM 0 HE2 PHE A 46 1.515 18.187 -10.502 1.00 11.44 H new ATOM 0 HZ PHE A 46 1.481 16.124 -11.843 1.00 63.53 H new ATOM 721 N ALA A 47 -0.152 15.406 -3.547 1.00 71.03 N ATOM 722 CA ALA A 47 -0.431 15.881 -2.198 1.00 11.50 C ATOM 723 C ALA A 47 0.853 16.012 -1.385 1.00 53.05 C ATOM 724 O ALA A 47 0.963 16.877 -0.517 1.00 24.20 O ATOM 725 CB ALA A 47 -1.407 14.946 -1.500 1.00 30.10 C ATOM 0 H ALA A 47 -0.561 14.498 -3.767 1.00 71.03 H new ATOM 0 HA ALA A 47 -0.884 16.870 -2.274 1.00 11.50 H new ATOM 0 HB1 ALA A 47 -1.606 15.313 -0.493 1.00 30.10 H new ATOM 0 HB2 ALA A 47 -2.339 14.907 -2.063 1.00 30.10 H new ATOM 0 HB3 ALA A 47 -0.976 13.947 -1.443 1.00 30.10 H new ATOM 731 N ALA A 48 1.820 15.147 -1.673 1.00 50.31 N ATOM 732 CA ALA A 48 3.097 15.167 -0.970 1.00 15.33 C ATOM 733 C ALA A 48 3.779 16.524 -1.109 1.00 71.21 C ATOM 734 O ALA A 48 4.560 16.927 -0.248 1.00 31.31 O ATOM 735 CB ALA A 48 4.003 14.062 -1.490 1.00 44.04 C ATOM 0 H ALA A 48 1.743 14.424 -2.388 1.00 50.31 H new ATOM 0 HA ALA A 48 2.904 14.994 0.089 1.00 15.33 H new ATOM 0 HB1 ALA A 48 4.953 14.089 -0.956 1.00 44.04 H new ATOM 0 HB2 ALA A 48 3.525 13.095 -1.332 1.00 44.04 H new ATOM 0 HB3 ALA A 48 4.181 14.209 -2.555 1.00 44.04 H new ATOM 741 N GLU A 49 3.479 17.223 -2.199 1.00 61.25 N ATOM 742 CA GLU A 49 4.066 18.534 -2.451 1.00 70.30 C ATOM 743 C GLU A 49 3.330 19.618 -1.670 1.00 1.35 C ATOM 744 O GLU A 49 3.938 20.580 -1.202 1.00 11.53 O ATOM 745 CB GLU A 49 4.031 18.854 -3.947 1.00 15.53 C ATOM 746 CG GLU A 49 4.442 17.688 -4.829 1.00 72.03 C ATOM 747 CD GLU A 49 5.011 18.137 -6.161 1.00 72.44 C ATOM 748 OE1 GLU A 49 4.239 18.212 -7.140 1.00 53.12 O ATOM 749 OE2 GLU A 49 6.227 18.412 -6.225 1.00 60.43 O ATOM 0 H GLU A 49 2.833 16.904 -2.921 1.00 61.25 H new ATOM 0 HA GLU A 49 5.103 18.510 -2.117 1.00 70.30 H new ATOM 0 HB2 GLU A 49 3.023 19.167 -4.219 1.00 15.53 H new ATOM 0 HB3 GLU A 49 4.691 19.698 -4.145 1.00 15.53 H new ATOM 0 HG2 GLU A 49 5.184 17.085 -4.306 1.00 72.03 H new ATOM 0 HG3 GLU A 49 3.578 17.048 -5.005 1.00 72.03 H new ATOM 756 N GLU A 50 2.018 19.455 -1.534 1.00 32.53 N ATOM 757 CA GLU A 50 1.199 20.420 -0.810 1.00 50.34 C ATOM 758 C GLU A 50 1.608 20.489 0.658 1.00 21.22 C ATOM 759 O GLU A 50 1.728 21.572 1.231 1.00 54.00 O ATOM 760 CB GLU A 50 -0.282 20.052 -0.922 1.00 21.30 C ATOM 761 CG GLU A 50 -0.776 19.945 -2.355 1.00 13.32 C ATOM 762 CD GLU A 50 -2.007 19.068 -2.484 1.00 4.32 C ATOM 763 OE1 GLU A 50 -2.634 18.771 -1.445 1.00 62.25 O ATOM 764 OE2 GLU A 50 -2.342 18.679 -3.622 1.00 10.31 O ATOM 0 H GLU A 50 1.499 18.664 -1.916 1.00 32.53 H new ATOM 0 HA GLU A 50 1.357 21.401 -1.259 1.00 50.34 H new ATOM 0 HB2 GLU A 50 -0.451 19.101 -0.417 1.00 21.30 H new ATOM 0 HB3 GLU A 50 -0.875 20.801 -0.397 1.00 21.30 H new ATOM 0 HG2 GLU A 50 -1.004 20.942 -2.732 1.00 13.32 H new ATOM 0 HG3 GLU A 50 0.020 19.542 -2.981 1.00 13.32 H new ATOM 771 N PHE A 51 1.821 19.324 1.262 1.00 52.21 N ATOM 772 CA PHE A 51 2.215 19.251 2.664 1.00 71.30 C ATOM 773 C PHE A 51 3.734 19.191 2.800 1.00 55.13 C ATOM 774 O PHE A 51 4.284 19.474 3.863 1.00 44.34 O ATOM 775 CB PHE A 51 1.584 18.026 3.330 1.00 54.14 C ATOM 776 CG PHE A 51 0.708 18.366 4.502 1.00 73.44 C ATOM 777 CD1 PHE A 51 1.151 19.234 5.486 1.00 51.11 C ATOM 778 CD2 PHE A 51 -0.559 17.816 4.619 1.00 24.31 C ATOM 779 CE1 PHE A 51 0.347 19.549 6.566 1.00 42.04 C ATOM 780 CE2 PHE A 51 -1.367 18.127 5.696 1.00 2.11 C ATOM 781 CZ PHE A 51 -0.913 18.994 6.671 1.00 21.22 C ATOM 0 H PHE A 51 1.727 18.418 0.802 1.00 52.21 H new ATOM 0 HA PHE A 51 1.858 20.152 3.163 1.00 71.30 H new ATOM 0 HB2 PHE A 51 0.994 17.484 2.591 1.00 54.14 H new ATOM 0 HB3 PHE A 51 2.376 17.354 3.661 1.00 54.14 H new ATOM 0 HD1 PHE A 51 2.136 19.670 5.409 1.00 51.11 H new ATOM 0 HD2 PHE A 51 -0.919 17.137 3.860 1.00 24.31 H new ATOM 0 HE1 PHE A 51 0.704 20.228 7.326 1.00 42.04 H new ATOM 0 HE2 PHE A 51 -2.353 17.693 5.775 1.00 2.11 H new ATOM 0 HZ PHE A 51 -1.543 19.237 7.514 1.00 21.22 H new ATOM 791 N GLY A 52 4.405 18.819 1.714 1.00 52.53 N ATOM 792 CA GLY A 52 5.853 18.728 1.732 1.00 40.32 C ATOM 793 C GLY A 52 6.349 17.534 2.523 1.00 11.42 C ATOM 794 O GLY A 52 7.532 17.448 2.852 1.00 23.05 O ATOM 0 H GLY A 52 3.972 18.579 0.822 1.00 52.53 H new ATOM 0 HA2 GLY A 52 6.222 18.661 0.709 1.00 40.32 H new ATOM 0 HA3 GLY A 52 6.266 19.641 2.161 1.00 40.32 H new ATOM 798 N ILE A 53 5.443 16.613 2.831 1.00 73.32 N ATOM 799 CA ILE A 53 5.795 15.419 3.589 1.00 20.21 C ATOM 800 C ILE A 53 4.942 14.228 3.167 1.00 72.42 C ATOM 801 O ILE A 53 4.144 14.322 2.235 1.00 53.11 O ATOM 802 CB ILE A 53 5.628 15.644 5.104 1.00 42.35 C ATOM 803 CG1 ILE A 53 4.166 15.944 5.439 1.00 53.25 C ATOM 804 CG2 ILE A 53 6.528 16.778 5.573 1.00 70.25 C ATOM 805 CD1 ILE A 53 3.917 16.167 6.914 1.00 43.31 C ATOM 0 H ILE A 53 4.459 16.671 2.567 1.00 73.32 H new ATOM 0 HA ILE A 53 6.842 15.207 3.374 1.00 20.21 H new ATOM 0 HB ILE A 53 5.921 14.733 5.626 1.00 42.35 H new ATOM 0 HG12 ILE A 53 3.850 16.829 4.888 1.00 53.25 H new ATOM 0 HG13 ILE A 53 3.546 15.116 5.095 1.00 53.25 H new ATOM 0 HG21 ILE A 53 6.399 16.925 6.645 1.00 70.25 H new ATOM 0 HG22 ILE A 53 7.568 16.527 5.364 1.00 70.25 H new ATOM 0 HG23 ILE A 53 6.263 17.695 5.046 1.00 70.25 H new ATOM 0 HD11 ILE A 53 2.859 16.374 7.077 1.00 43.31 H new ATOM 0 HD12 ILE A 53 4.202 15.274 7.470 1.00 43.31 H new ATOM 0 HD13 ILE A 53 4.510 17.014 7.259 1.00 43.31 H new ATOM 817 N ALA A 54 5.115 13.107 3.860 1.00 10.24 N ATOM 818 CA ALA A 54 4.358 11.898 3.560 1.00 2.21 C ATOM 819 C ALA A 54 4.196 11.029 4.803 1.00 52.33 C ATOM 820 O ALA A 54 4.992 10.123 5.046 1.00 21.23 O ATOM 821 CB ALA A 54 5.038 11.112 2.449 1.00 5.02 C ATOM 0 H ALA A 54 5.773 13.011 4.633 1.00 10.24 H new ATOM 0 HA ALA A 54 3.364 12.195 3.224 1.00 2.21 H new ATOM 0 HB1 ALA A 54 4.462 10.212 2.235 1.00 5.02 H new ATOM 0 HB2 ALA A 54 5.096 11.727 1.551 1.00 5.02 H new ATOM 0 HB3 ALA A 54 6.044 10.833 2.764 1.00 5.02 H new ATOM 827 N SER A 55 3.160 11.313 5.586 1.00 20.41 N ATOM 828 CA SER A 55 2.896 10.559 6.807 1.00 42.55 C ATOM 829 C SER A 55 1.646 11.082 7.508 1.00 3.41 C ATOM 830 O SER A 55 0.586 10.458 7.460 1.00 42.42 O ATOM 831 CB SER A 55 4.097 10.641 7.751 1.00 11.21 C ATOM 832 OG SER A 55 4.890 9.470 7.670 1.00 64.13 O ATOM 0 H SER A 55 2.490 12.059 5.397 1.00 20.41 H new ATOM 0 HA SER A 55 2.729 9.517 6.533 1.00 42.55 H new ATOM 0 HB2 SER A 55 4.702 11.512 7.500 1.00 11.21 H new ATOM 0 HB3 SER A 55 3.750 10.779 8.775 1.00 11.21 H new ATOM 0 HG SER A 55 5.158 9.320 6.739 1.00 64.13 H new ATOM 838 N VAL A 56 1.779 12.233 8.160 1.00 22.15 N ATOM 839 CA VAL A 56 0.662 12.842 8.872 1.00 74.13 C ATOM 840 C VAL A 56 -0.390 13.363 7.899 1.00 12.41 C ATOM 841 O VAL A 56 -1.535 13.609 8.280 1.00 71.34 O ATOM 842 CB VAL A 56 1.133 14.000 9.771 1.00 52.43 C ATOM 843 CG1 VAL A 56 2.207 13.524 10.737 1.00 50.14 C ATOM 844 CG2 VAL A 56 1.640 15.158 8.925 1.00 43.33 C ATOM 0 H VAL A 56 2.649 12.762 8.210 1.00 22.15 H new ATOM 0 HA VAL A 56 0.222 12.064 9.496 1.00 74.13 H new ATOM 0 HB VAL A 56 0.283 14.352 10.356 1.00 52.43 H new ATOM 0 HG11 VAL A 56 2.527 14.356 11.364 1.00 50.14 H new ATOM 0 HG12 VAL A 56 1.805 12.730 11.366 1.00 50.14 H new ATOM 0 HG13 VAL A 56 3.060 13.144 10.174 1.00 50.14 H new ATOM 0 HG21 VAL A 56 1.969 15.968 9.576 1.00 43.33 H new ATOM 0 HG22 VAL A 56 2.477 14.822 8.313 1.00 43.33 H new ATOM 0 HG23 VAL A 56 0.838 15.515 8.279 1.00 43.33 H new ATOM 854 N ASP A 57 0.006 13.530 6.642 1.00 54.00 N ATOM 855 CA ASP A 57 -0.904 14.021 5.613 1.00 45.11 C ATOM 856 C ASP A 57 -2.053 13.043 5.391 1.00 22.33 C ATOM 857 O ASP A 57 -3.091 13.404 4.837 1.00 1.33 O ATOM 858 CB ASP A 57 -0.149 14.247 4.302 1.00 74.25 C ATOM 859 CG ASP A 57 0.265 12.947 3.641 1.00 73.33 C ATOM 860 OD1 ASP A 57 0.113 12.834 2.406 1.00 32.40 O ATOM 861 OD2 ASP A 57 0.741 12.043 4.358 1.00 63.41 O ATOM 0 H ASP A 57 0.950 13.333 6.311 1.00 54.00 H new ATOM 0 HA ASP A 57 -1.320 14.970 5.953 1.00 45.11 H new ATOM 0 HB2 ASP A 57 -0.778 14.815 3.617 1.00 74.25 H new ATOM 0 HB3 ASP A 57 0.737 14.851 4.496 1.00 74.25 H new ATOM 866 N SER A 58 -1.859 11.802 5.827 1.00 73.13 N ATOM 867 CA SER A 58 -2.878 10.770 5.672 1.00 64.25 C ATOM 868 C SER A 58 -4.163 11.162 6.394 1.00 21.31 C ATOM 869 O SER A 58 -5.251 10.713 6.035 1.00 31.11 O ATOM 870 CB SER A 58 -2.365 9.432 6.209 1.00 45.41 C ATOM 871 OG SER A 58 -2.364 9.419 7.626 1.00 73.51 O ATOM 0 H SER A 58 -1.006 11.487 6.290 1.00 73.13 H new ATOM 0 HA SER A 58 -3.097 10.667 4.609 1.00 64.25 H new ATOM 0 HB2 SER A 58 -2.991 8.622 5.835 1.00 45.41 H new ATOM 0 HB3 SER A 58 -1.356 9.251 5.840 1.00 45.41 H new ATOM 0 HG SER A 58 -1.497 9.736 7.955 1.00 73.51 H new ATOM 877 N MET A 59 -4.028 12.002 7.415 1.00 43.24 N ATOM 878 CA MET A 59 -5.178 12.456 8.188 1.00 41.23 C ATOM 879 C MET A 59 -4.896 13.806 8.840 1.00 21.23 C ATOM 880 O MET A 59 -4.593 13.879 10.031 1.00 70.22 O ATOM 881 CB MET A 59 -5.539 11.425 9.258 1.00 32.41 C ATOM 882 CG MET A 59 -6.280 10.215 8.711 1.00 0.21 C ATOM 883 SD MET A 59 -7.222 9.346 9.979 1.00 21.30 S ATOM 884 CE MET A 59 -5.968 8.251 10.641 1.00 74.22 C ATOM 0 H MET A 59 -3.134 12.382 7.726 1.00 43.24 H new ATOM 0 HA MET A 59 -6.020 12.571 7.506 1.00 41.23 H new ATOM 0 HB2 MET A 59 -4.626 11.090 9.750 1.00 32.41 H new ATOM 0 HB3 MET A 59 -6.154 11.904 10.019 1.00 32.41 H new ATOM 0 HG2 MET A 59 -6.955 10.535 7.918 1.00 0.21 H new ATOM 0 HG3 MET A 59 -5.563 9.528 8.261 1.00 0.21 H new ATOM 0 HE1 MET A 59 -6.398 7.645 11.438 1.00 74.22 H new ATOM 0 HE2 MET A 59 -5.599 7.599 9.849 1.00 74.22 H new ATOM 0 HE3 MET A 59 -5.143 8.841 11.039 1.00 74.22 H new ATOM 894 N ALA A 60 -4.997 14.872 8.053 1.00 71.42 N ATOM 895 CA ALA A 60 -4.755 16.218 8.555 1.00 45.31 C ATOM 896 C ALA A 60 -5.613 17.241 7.819 1.00 0.51 C ATOM 897 O ALA A 60 -5.108 18.031 7.022 1.00 63.13 O ATOM 898 CB ALA A 60 -3.280 16.572 8.425 1.00 15.33 C ATOM 0 H ALA A 60 -5.245 14.829 7.065 1.00 71.42 H new ATOM 0 HA ALA A 60 -5.032 16.242 9.609 1.00 45.31 H new ATOM 0 HB1 ALA A 60 -3.113 17.580 8.804 1.00 15.33 H new ATOM 0 HB2 ALA A 60 -2.684 15.865 9.001 1.00 15.33 H new ATOM 0 HB3 ALA A 60 -2.986 16.525 7.377 1.00 15.33 H new ATOM 904 N ALA A 61 -6.914 17.221 8.092 1.00 44.33 N ATOM 905 CA ALA A 61 -7.842 18.148 7.456 1.00 3.42 C ATOM 906 C ALA A 61 -9.177 18.178 8.191 1.00 14.13 C ATOM 907 O ALA A 61 -9.562 17.206 8.843 1.00 41.14 O ATOM 908 CB ALA A 61 -8.048 17.771 5.997 1.00 74.12 C ATOM 0 H ALA A 61 -7.349 16.573 8.749 1.00 44.33 H new ATOM 0 HA ALA A 61 -7.409 19.147 7.503 1.00 3.42 H new ATOM 0 HB1 ALA A 61 -8.743 18.472 5.535 1.00 74.12 H new ATOM 0 HB2 ALA A 61 -7.093 17.809 5.473 1.00 74.12 H new ATOM 0 HB3 ALA A 61 -8.456 16.762 5.936 1.00 74.12 H new ATOM 914 N THR A 62 -9.882 19.300 8.084 1.00 52.24 N ATOM 915 CA THR A 62 -11.174 19.457 8.739 1.00 12.25 C ATOM 916 C THR A 62 -12.168 20.174 7.833 1.00 43.34 C ATOM 917 O THR A 62 -11.819 21.140 7.153 1.00 53.32 O ATOM 918 CB THR A 62 -11.043 20.241 10.059 1.00 22.11 C ATOM 919 OG1 THR A 62 -10.614 21.581 9.792 1.00 22.24 O ATOM 920 CG2 THR A 62 -10.053 19.563 10.995 1.00 74.02 C ATOM 0 H THR A 62 -9.579 20.114 7.549 1.00 52.24 H new ATOM 0 HA THR A 62 -11.542 18.454 8.955 1.00 12.25 H new ATOM 0 HB THR A 62 -12.020 20.262 10.542 1.00 22.11 H new ATOM 0 HG1 THR A 62 -10.535 22.073 10.636 1.00 22.24 H new ATOM 0 HG21 THR A 62 -9.977 20.134 11.920 1.00 74.02 H new ATOM 0 HG22 THR A 62 -10.397 18.553 11.219 1.00 74.02 H new ATOM 0 HG23 THR A 62 -9.075 19.515 10.517 1.00 74.02 H new ATOM 928 N THR A 63 -13.408 19.696 7.827 1.00 53.54 N ATOM 929 CA THR A 63 -14.453 20.292 7.003 1.00 63.23 C ATOM 930 C THR A 63 -15.178 21.404 7.752 1.00 23.55 C ATOM 931 O THR A 63 -15.106 21.489 8.979 1.00 43.44 O ATOM 932 CB THR A 63 -15.481 19.238 6.551 1.00 61.33 C ATOM 933 OG1 THR A 63 -15.978 18.520 7.686 1.00 64.54 O ATOM 934 CG2 THR A 63 -14.859 18.264 5.561 1.00 43.41 C ATOM 0 H THR A 63 -13.714 18.898 8.383 1.00 53.54 H new ATOM 0 HA THR A 63 -13.962 20.711 6.124 1.00 63.23 H new ATOM 0 HB THR A 63 -16.305 19.755 6.059 1.00 61.33 H new ATOM 0 HG1 THR A 63 -16.632 17.853 7.390 1.00 64.54 H new ATOM 0 HG21 THR A 63 -15.604 17.529 5.256 1.00 43.41 H new ATOM 0 HG22 THR A 63 -14.508 18.810 4.685 1.00 43.41 H new ATOM 0 HG23 THR A 63 -14.018 17.754 6.031 1.00 43.41 H new ATOM 942 N LYS A 64 -15.877 22.254 7.009 1.00 74.33 N ATOM 943 CA LYS A 64 -16.618 23.360 7.603 1.00 53.13 C ATOM 944 C LYS A 64 -17.751 22.845 8.485 1.00 73.04 C ATOM 945 O LYS A 64 -18.180 23.522 9.419 1.00 10.11 O ATOM 946 CB LYS A 64 -17.183 24.269 6.508 1.00 24.13 C ATOM 947 CG LYS A 64 -18.149 23.565 5.571 1.00 22.14 C ATOM 948 CD LYS A 64 -18.024 24.084 4.149 1.00 54.32 C ATOM 949 CE LYS A 64 -16.697 23.684 3.524 1.00 42.54 C ATOM 950 NZ LYS A 64 -16.184 24.730 2.595 1.00 23.23 N ATOM 0 H LYS A 64 -15.946 22.198 5.993 1.00 74.33 H new ATOM 0 HA LYS A 64 -15.930 23.933 8.224 1.00 53.13 H new ATOM 0 HB2 LYS A 64 -17.692 25.112 6.975 1.00 24.13 H new ATOM 0 HB3 LYS A 64 -16.358 24.678 5.925 1.00 24.13 H new ATOM 0 HG2 LYS A 64 -17.956 22.492 5.586 1.00 22.14 H new ATOM 0 HG3 LYS A 64 -19.170 23.710 5.924 1.00 22.14 H new ATOM 0 HD2 LYS A 64 -18.844 23.695 3.545 1.00 54.32 H new ATOM 0 HD3 LYS A 64 -18.115 25.170 4.148 1.00 54.32 H new ATOM 0 HE2 LYS A 64 -15.964 23.506 4.311 1.00 42.54 H new ATOM 0 HE3 LYS A 64 -16.818 22.746 2.983 1.00 42.54 H new ATOM 0 HZ1 LYS A 64 -15.196 24.520 2.348 1.00 23.23 H new ATOM 0 HZ2 LYS A 64 -16.762 24.740 1.731 1.00 23.23 H new ATOM 0 HZ3 LYS A 64 -16.236 25.660 3.057 1.00 23.23 H new ATOM 964 N ASP A 65 -18.231 21.643 8.182 1.00 5.53 N ATOM 965 CA ASP A 65 -19.312 21.037 8.949 1.00 31.55 C ATOM 966 C ASP A 65 -18.800 20.508 10.286 1.00 53.30 C ATOM 967 O ASP A 65 -19.568 20.335 11.232 1.00 70.15 O ATOM 968 CB ASP A 65 -19.957 19.902 8.152 1.00 15.20 C ATOM 969 CG ASP A 65 -21.467 19.880 8.294 1.00 43.50 C ATOM 970 OD1 ASP A 65 -21.955 19.519 9.385 1.00 12.23 O ATOM 971 OD2 ASP A 65 -22.159 20.226 7.314 1.00 34.41 O ATOM 0 H ASP A 65 -17.888 21.070 7.411 1.00 5.53 H new ATOM 0 HA ASP A 65 -20.060 21.805 9.145 1.00 31.55 H new ATOM 0 HB2 ASP A 65 -19.695 20.007 7.099 1.00 15.20 H new ATOM 0 HB3 ASP A 65 -19.549 18.949 8.488 1.00 15.20 H new ATOM 976 N GLY A 66 -17.497 20.253 10.356 1.00 32.01 N ATOM 977 CA GLY A 66 -16.906 19.746 11.580 1.00 25.23 C ATOM 978 C GLY A 66 -15.581 19.050 11.339 1.00 45.20 C ATOM 979 O GLY A 66 -14.640 19.652 10.820 1.00 63.24 O ATOM 0 H GLY A 66 -16.841 20.389 9.587 1.00 32.01 H new ATOM 0 HA2 GLY A 66 -16.758 20.571 12.277 1.00 25.23 H new ATOM 0 HA3 GLY A 66 -17.598 19.049 12.053 1.00 25.23 H new ATOM 983 N THR A 67 -15.504 17.778 11.718 1.00 2.32 N ATOM 984 CA THR A 67 -14.284 17.001 11.543 1.00 64.21 C ATOM 985 C THR A 67 -14.174 16.463 10.121 1.00 62.12 C ATOM 986 O THR A 67 -15.144 15.951 9.564 1.00 61.03 O ATOM 987 CB THR A 67 -14.222 15.821 12.532 1.00 50.42 C ATOM 988 OG1 THR A 67 -12.951 15.168 12.437 1.00 52.40 O ATOM 989 CG2 THR A 67 -15.334 14.822 12.252 1.00 62.33 C ATOM 0 H THR A 67 -16.273 17.264 12.148 1.00 2.32 H new ATOM 0 HA THR A 67 -13.450 17.675 11.740 1.00 64.21 H new ATOM 0 HB THR A 67 -14.353 16.213 13.540 1.00 50.42 H new ATOM 0 HG1 THR A 67 -12.857 14.527 13.173 1.00 52.40 H new ATOM 0 HG21 THR A 67 -15.270 13.998 12.962 1.00 62.33 H new ATOM 0 HG22 THR A 67 -16.301 15.315 12.354 1.00 62.33 H new ATOM 0 HG23 THR A 67 -15.229 14.436 11.238 1.00 62.33 H new ATOM 997 N GLY A 68 -12.985 16.582 9.538 1.00 63.01 N ATOM 998 CA GLY A 68 -12.770 16.102 8.185 1.00 13.31 C ATOM 999 C GLY A 68 -11.888 14.870 8.140 1.00 51.53 C ATOM 1000 O GLY A 68 -10.873 14.851 7.443 1.00 1.51 O ATOM 0 H GLY A 68 -12.167 17.002 9.978 1.00 63.01 H new ATOM 0 HA2 GLY A 68 -13.732 15.873 7.727 1.00 13.31 H new ATOM 0 HA3 GLY A 68 -12.314 16.893 7.590 1.00 13.31 H new ATOM 1004 N ILE A 69 -12.274 13.840 8.885 1.00 53.42 N ATOM 1005 CA ILE A 69 -11.511 12.600 8.927 1.00 65.32 C ATOM 1006 C ILE A 69 -11.816 11.725 7.715 1.00 4.05 C ATOM 1007 O ILE A 69 -12.966 11.608 7.296 1.00 31.42 O ATOM 1008 CB ILE A 69 -11.805 11.801 10.210 1.00 22.51 C ATOM 1009 CG1 ILE A 69 -11.340 12.582 11.441 1.00 35.31 C ATOM 1010 CG2 ILE A 69 -11.128 10.439 10.153 1.00 3.33 C ATOM 1011 CD1 ILE A 69 -11.869 12.025 12.745 1.00 64.14 C ATOM 0 H ILE A 69 -13.111 13.840 9.468 1.00 53.42 H new ATOM 0 HA ILE A 69 -10.457 12.878 8.915 1.00 65.32 H new ATOM 0 HB ILE A 69 -12.881 11.647 10.286 1.00 22.51 H new ATOM 0 HG12 ILE A 69 -10.250 12.583 11.471 1.00 35.31 H new ATOM 0 HG13 ILE A 69 -11.657 13.620 11.344 1.00 35.31 H new ATOM 0 HG21 ILE A 69 -11.345 9.886 11.067 1.00 3.33 H new ATOM 0 HG22 ILE A 69 -11.503 9.882 9.294 1.00 3.33 H new ATOM 0 HG23 ILE A 69 -10.050 10.572 10.057 1.00 3.33 H new ATOM 0 HD11 ILE A 69 -11.499 12.628 13.575 1.00 64.14 H new ATOM 0 HD12 ILE A 69 -12.959 12.050 12.736 1.00 64.14 H new ATOM 0 HD13 ILE A 69 -11.530 10.996 12.865 1.00 64.14 H new ATOM 1023 N ASN A 70 -10.776 11.112 7.159 1.00 74.44 N ATOM 1024 CA ASN A 70 -10.933 10.246 5.996 1.00 72.34 C ATOM 1025 C ASN A 70 -10.761 8.780 6.382 1.00 62.25 C ATOM 1026 O ASN A 70 -9.661 8.227 6.343 1.00 13.21 O ATOM 1027 CB ASN A 70 -9.920 10.622 4.913 1.00 3.30 C ATOM 1028 CG ASN A 70 -9.973 12.096 4.559 1.00 71.25 C ATOM 1029 OD1 ASN A 70 -8.960 12.794 4.603 1.00 23.53 O ATOM 1030 ND2 ASN A 70 -11.159 12.576 4.204 1.00 52.30 N ATOM 0 H ASN A 70 -9.817 11.199 7.494 1.00 74.44 H new ATOM 0 HA ASN A 70 -11.941 10.385 5.605 1.00 72.34 H new ATOM 0 HB2 ASN A 70 -8.916 10.369 5.254 1.00 3.30 H new ATOM 0 HB3 ASN A 70 -10.111 10.029 4.019 1.00 3.30 H new ATOM 0 HD21 ASN A 70 -11.257 13.560 3.954 1.00 52.30 H new ATOM 0 HD22 ASN A 70 -11.972 11.961 4.181 1.00 52.30 H new ATOM 1037 N PRO A 71 -11.873 8.133 6.762 1.00 3.53 N ATOM 1038 CA PRO A 71 -11.871 6.723 7.161 1.00 30.05 C ATOM 1039 C PRO A 71 -11.613 5.788 5.985 1.00 24.21 C ATOM 1040 O PRO A 71 -10.805 4.864 6.080 1.00 0.20 O ATOM 1041 CB PRO A 71 -13.282 6.509 7.715 1.00 53.15 C ATOM 1042 CG PRO A 71 -14.115 7.541 7.036 1.00 54.00 C ATOM 1043 CD PRO A 71 -13.217 8.730 6.832 1.00 73.31 C ATOM 0 HA PRO A 71 -11.079 6.503 7.877 1.00 30.05 H new ATOM 0 HB2 PRO A 71 -13.644 5.504 7.500 1.00 53.15 H new ATOM 0 HB3 PRO A 71 -13.305 6.631 8.798 1.00 53.15 H new ATOM 0 HG2 PRO A 71 -14.495 7.171 6.084 1.00 54.00 H new ATOM 0 HG3 PRO A 71 -14.981 7.805 7.643 1.00 54.00 H new ATOM 0 HD2 PRO A 71 -13.465 9.269 5.918 1.00 73.31 H new ATOM 0 HD3 PRO A 71 -13.299 9.441 7.654 1.00 73.31 H new ATOM 1051 N ALA A 72 -12.303 6.034 4.877 1.00 52.04 N ATOM 1052 CA ALA A 72 -12.146 5.215 3.681 1.00 51.30 C ATOM 1053 C ALA A 72 -11.236 5.896 2.665 1.00 44.41 C ATOM 1054 O ALA A 72 -10.568 5.232 1.873 1.00 31.52 O ATOM 1055 CB ALA A 72 -13.504 4.920 3.061 1.00 0.13 C ATOM 0 H ALA A 72 -12.977 6.794 4.782 1.00 52.04 H new ATOM 0 HA ALA A 72 -11.680 4.274 3.974 1.00 51.30 H new ATOM 0 HB1 ALA A 72 -13.371 4.308 2.169 1.00 0.13 H new ATOM 0 HB2 ALA A 72 -14.124 4.384 3.780 1.00 0.13 H new ATOM 0 HB3 ALA A 72 -13.991 5.856 2.789 1.00 0.13 H new ATOM 1061 N GLN A 73 -11.215 7.225 2.693 1.00 4.12 N ATOM 1062 CA GLN A 73 -10.386 7.995 1.773 1.00 55.32 C ATOM 1063 C GLN A 73 -10.686 7.618 0.326 1.00 44.13 C ATOM 1064 O GLN A 73 -9.847 7.792 -0.559 1.00 42.01 O ATOM 1065 CB GLN A 73 -8.904 7.769 2.076 1.00 73.35 C ATOM 1066 CG GLN A 73 -8.565 7.858 3.555 1.00 62.14 C ATOM 1067 CD GLN A 73 -7.437 8.831 3.837 1.00 61.42 C ATOM 1068 OE1 GLN A 73 -7.497 9.998 3.449 1.00 65.21 O ATOM 1069 NE2 GLN A 73 -6.400 8.354 4.516 1.00 10.30 N ATOM 0 H GLN A 73 -11.762 7.790 3.342 1.00 4.12 H new ATOM 0 HA GLN A 73 -10.619 9.051 1.910 1.00 55.32 H new ATOM 0 HB2 GLN A 73 -8.611 6.788 1.703 1.00 73.35 H new ATOM 0 HB3 GLN A 73 -8.314 8.506 1.531 1.00 73.35 H new ATOM 0 HG2 GLN A 73 -9.452 8.165 4.109 1.00 62.14 H new ATOM 0 HG3 GLN A 73 -8.287 6.869 3.920 1.00 62.14 H new ATOM 0 HE21 GLN A 73 -6.393 7.380 4.818 1.00 10.30 H new ATOM 0 HE22 GLN A 73 -5.611 8.962 4.736 1.00 10.30 H new ATOM 1078 N THR A 74 -11.887 7.100 0.090 1.00 31.35 N ATOM 1079 CA THR A 74 -12.297 6.696 -1.249 1.00 5.22 C ATOM 1080 C THR A 74 -12.714 7.902 -2.083 1.00 12.03 C ATOM 1081 O THR A 74 -13.006 8.970 -1.545 1.00 20.44 O ATOM 1082 CB THR A 74 -13.463 5.691 -1.201 1.00 24.13 C ATOM 1083 OG1 THR A 74 -13.300 4.805 -0.088 1.00 31.05 O ATOM 1084 CG2 THR A 74 -13.537 4.886 -2.489 1.00 64.14 C ATOM 0 H THR A 74 -12.594 6.950 0.810 1.00 31.35 H new ATOM 0 HA THR A 74 -11.434 6.217 -1.713 1.00 5.22 H new ATOM 0 HB THR A 74 -14.391 6.251 -1.087 1.00 24.13 H new ATOM 0 HG1 THR A 74 -14.046 4.170 -0.063 1.00 31.05 H new ATOM 0 HG21 THR A 74 -14.368 4.183 -2.431 1.00 64.14 H new ATOM 0 HG22 THR A 74 -13.690 5.561 -3.331 1.00 64.14 H new ATOM 0 HG23 THR A 74 -12.606 4.337 -2.629 1.00 64.14 H new ATOM 1092 N ALA A 75 -12.741 7.724 -3.399 1.00 52.24 N ATOM 1093 CA ALA A 75 -13.126 8.798 -4.307 1.00 71.54 C ATOM 1094 C ALA A 75 -14.554 9.260 -4.037 1.00 3.23 C ATOM 1095 O ALA A 75 -14.829 10.458 -3.985 1.00 11.12 O ATOM 1096 CB ALA A 75 -12.981 8.344 -5.752 1.00 74.35 C ATOM 0 H ALA A 75 -12.501 6.847 -3.861 1.00 52.24 H new ATOM 0 HA ALA A 75 -12.460 9.643 -4.134 1.00 71.54 H new ATOM 0 HB1 ALA A 75 -13.272 9.155 -6.419 1.00 74.35 H new ATOM 0 HB2 ALA A 75 -11.944 8.070 -5.945 1.00 74.35 H new ATOM 0 HB3 ALA A 75 -13.623 7.481 -5.929 1.00 74.35 H new ATOM 1102 N GLY A 76 -15.459 8.302 -3.865 1.00 73.32 N ATOM 1103 CA GLY A 76 -16.848 8.632 -3.603 1.00 21.42 C ATOM 1104 C GLY A 76 -17.040 9.304 -2.258 1.00 41.41 C ATOM 1105 O GLY A 76 -17.853 10.218 -2.124 1.00 72.41 O ATOM 0 H GLY A 76 -15.255 7.303 -3.902 1.00 73.32 H new ATOM 0 HA2 GLY A 76 -17.217 9.290 -4.390 1.00 21.42 H new ATOM 0 HA3 GLY A 76 -17.448 7.723 -3.640 1.00 21.42 H new ATOM 1109 N ASN A 77 -16.290 8.851 -1.259 1.00 30.12 N ATOM 1110 CA ASN A 77 -16.383 9.414 0.083 1.00 34.13 C ATOM 1111 C ASN A 77 -15.756 10.804 0.135 1.00 73.21 C ATOM 1112 O ASN A 77 -16.317 11.729 0.723 1.00 74.52 O ATOM 1113 CB ASN A 77 -15.695 8.494 1.094 1.00 74.12 C ATOM 1114 CG ASN A 77 -16.682 7.628 1.853 1.00 14.52 C ATOM 1115 OD1 ASN A 77 -17.219 6.660 1.314 1.00 2.33 O ATOM 1116 ND2 ASN A 77 -16.927 7.975 3.112 1.00 65.23 N ATOM 0 H ASN A 77 -15.611 8.096 -1.353 1.00 30.12 H new ATOM 0 HA ASN A 77 -17.439 9.501 0.341 1.00 34.13 H new ATOM 0 HB2 ASN A 77 -14.981 7.856 0.573 1.00 74.12 H new ATOM 0 HB3 ASN A 77 -15.126 9.097 1.802 1.00 74.12 H new ATOM 0 HD21 ASN A 77 -17.583 7.431 3.672 1.00 65.23 H new ATOM 0 HD22 ASN A 77 -16.459 8.785 3.518 1.00 65.23 H new ATOM 1123 N VAL A 78 -14.589 10.944 -0.485 1.00 61.22 N ATOM 1124 CA VAL A 78 -13.886 12.221 -0.512 1.00 24.31 C ATOM 1125 C VAL A 78 -14.469 13.147 -1.572 1.00 53.54 C ATOM 1126 O VAL A 78 -14.095 14.317 -1.665 1.00 22.33 O ATOM 1127 CB VAL A 78 -12.382 12.028 -0.786 1.00 32.15 C ATOM 1128 CG1 VAL A 78 -11.794 10.997 0.166 1.00 72.24 C ATOM 1129 CG2 VAL A 78 -12.152 11.622 -2.233 1.00 54.15 C ATOM 0 H VAL A 78 -14.110 10.189 -0.976 1.00 61.22 H new ATOM 0 HA VAL A 78 -14.014 12.673 0.471 1.00 24.31 H new ATOM 0 HB VAL A 78 -11.874 12.977 -0.614 1.00 32.15 H new ATOM 0 HG11 VAL A 78 -10.731 10.874 -0.042 1.00 72.24 H new ATOM 0 HG12 VAL A 78 -11.926 11.334 1.194 1.00 72.24 H new ATOM 0 HG13 VAL A 78 -12.303 10.043 0.029 1.00 72.24 H new ATOM 0 HG21 VAL A 78 -11.084 11.490 -2.409 1.00 54.15 H new ATOM 0 HG22 VAL A 78 -12.671 10.685 -2.435 1.00 54.15 H new ATOM 0 HG23 VAL A 78 -12.535 12.399 -2.894 1.00 54.15 H new ATOM 1139 N PHE A 79 -15.389 12.618 -2.372 1.00 35.24 N ATOM 1140 CA PHE A 79 -16.026 13.397 -3.427 1.00 44.31 C ATOM 1141 C PHE A 79 -16.640 14.676 -2.864 1.00 64.22 C ATOM 1142 O PHE A 79 -16.519 15.748 -3.457 1.00 34.42 O ATOM 1143 CB PHE A 79 -17.103 12.565 -4.126 1.00 0.51 C ATOM 1144 CG PHE A 79 -17.877 13.333 -5.159 1.00 41.21 C ATOM 1145 CD1 PHE A 79 -19.065 13.963 -4.827 1.00 55.11 C ATOM 1146 CD2 PHE A 79 -17.416 13.425 -6.463 1.00 31.43 C ATOM 1147 CE1 PHE A 79 -19.780 14.671 -5.775 1.00 70.23 C ATOM 1148 CE2 PHE A 79 -18.126 14.131 -7.415 1.00 0.10 C ATOM 1149 CZ PHE A 79 -19.310 14.754 -7.071 1.00 60.13 C ATOM 0 H PHE A 79 -15.710 11.652 -2.309 1.00 35.24 H new ATOM 0 HA PHE A 79 -15.261 13.671 -4.153 1.00 44.31 H new ATOM 0 HB2 PHE A 79 -16.634 11.703 -4.601 1.00 0.51 H new ATOM 0 HB3 PHE A 79 -17.795 12.179 -3.378 1.00 0.51 H new ATOM 0 HD1 PHE A 79 -19.437 13.900 -3.815 1.00 55.11 H new ATOM 0 HD2 PHE A 79 -16.491 12.939 -6.738 1.00 31.43 H new ATOM 0 HE1 PHE A 79 -20.704 15.158 -5.503 1.00 70.23 H new ATOM 0 HE2 PHE A 79 -17.756 14.196 -8.427 1.00 0.10 H new ATOM 0 HZ PHE A 79 -19.867 15.305 -7.814 1.00 60.13 H new ATOM 1159 N MET A 80 -17.298 14.553 -1.717 1.00 13.25 N ATOM 1160 CA MET A 80 -17.931 15.699 -1.073 1.00 21.32 C ATOM 1161 C MET A 80 -17.021 16.291 -0.001 1.00 52.02 C ATOM 1162 O MET A 80 -16.991 17.505 0.200 1.00 0.25 O ATOM 1163 CB MET A 80 -19.268 15.288 -0.453 1.00 52.42 C ATOM 1164 CG MET A 80 -20.377 16.304 -0.674 1.00 54.00 C ATOM 1165 SD MET A 80 -21.975 15.530 -0.990 1.00 11.25 S ATOM 1166 CE MET A 80 -22.843 16.867 -1.806 1.00 74.14 C ATOM 0 H MET A 80 -17.407 13.672 -1.214 1.00 13.25 H new ATOM 0 HA MET A 80 -18.110 16.459 -1.834 1.00 21.32 H new ATOM 0 HB2 MET A 80 -19.575 14.330 -0.873 1.00 52.42 H new ATOM 0 HB3 MET A 80 -19.132 15.138 0.618 1.00 52.42 H new ATOM 0 HG2 MET A 80 -20.456 16.947 0.203 1.00 54.00 H new ATOM 0 HG3 MET A 80 -20.115 16.945 -1.516 1.00 54.00 H new ATOM 0 HE1 MET A 80 -23.851 16.542 -2.065 1.00 74.14 H new ATOM 0 HE2 MET A 80 -22.899 17.726 -1.137 1.00 74.14 H new ATOM 0 HE3 MET A 80 -22.308 17.148 -2.713 1.00 74.14 H new ATOM 1176 N LYS A 81 -16.281 15.426 0.684 1.00 1.31 N ATOM 1177 CA LYS A 81 -15.369 15.863 1.735 1.00 52.22 C ATOM 1178 C LYS A 81 -14.233 16.700 1.156 1.00 64.41 C ATOM 1179 O LYS A 81 -14.030 17.848 1.551 1.00 33.02 O ATOM 1180 CB LYS A 81 -14.799 14.654 2.479 1.00 22.30 C ATOM 1181 CG LYS A 81 -15.289 14.534 3.912 1.00 53.24 C ATOM 1182 CD LYS A 81 -15.454 13.081 4.325 1.00 11.42 C ATOM 1183 CE LYS A 81 -16.660 12.444 3.652 1.00 22.32 C ATOM 1184 NZ LYS A 81 -17.805 12.293 4.593 1.00 65.44 N ATOM 0 H LYS A 81 -16.295 14.418 0.530 1.00 1.31 H new ATOM 0 HA LYS A 81 -15.931 16.481 2.436 1.00 52.22 H new ATOM 0 HB2 LYS A 81 -15.064 13.746 1.936 1.00 22.30 H new ATOM 0 HB3 LYS A 81 -13.711 14.719 2.480 1.00 22.30 H new ATOM 0 HG2 LYS A 81 -14.583 15.026 4.581 1.00 53.24 H new ATOM 0 HG3 LYS A 81 -16.242 15.053 4.016 1.00 53.24 H new ATOM 0 HD2 LYS A 81 -14.554 12.523 4.065 1.00 11.42 H new ATOM 0 HD3 LYS A 81 -15.566 13.020 5.408 1.00 11.42 H new ATOM 0 HE2 LYS A 81 -16.966 13.054 2.802 1.00 22.32 H new ATOM 0 HE3 LYS A 81 -16.382 11.466 3.258 1.00 22.32 H new ATOM 0 HZ1 LYS A 81 -18.607 11.855 4.096 1.00 65.44 H new ATOM 0 HZ2 LYS A 81 -17.521 11.690 5.391 1.00 65.44 H new ATOM 0 HZ3 LYS A 81 -18.087 13.228 4.949 1.00 65.44 H new ATOM 1198 N TYR A 82 -13.495 16.117 0.217 1.00 2.42 N ATOM 1199 CA TYR A 82 -12.378 16.809 -0.415 1.00 41.14 C ATOM 1200 C TYR A 82 -12.856 17.654 -1.592 1.00 55.11 C ATOM 1201 O TYR A 82 -12.067 18.340 -2.240 1.00 53.30 O ATOM 1202 CB TYR A 82 -11.329 15.801 -0.890 1.00 15.42 C ATOM 1203 CG TYR A 82 -10.287 15.475 0.155 1.00 3.23 C ATOM 1204 CD1 TYR A 82 -10.635 15.339 1.493 1.00 32.44 C ATOM 1205 CD2 TYR A 82 -8.953 15.305 -0.195 1.00 30.31 C ATOM 1206 CE1 TYR A 82 -9.686 15.041 2.452 1.00 2.31 C ATOM 1207 CE2 TYR A 82 -7.997 15.006 0.757 1.00 73.24 C ATOM 1208 CZ TYR A 82 -8.368 14.875 2.079 1.00 54.44 C ATOM 1209 OH TYR A 82 -7.419 14.579 3.030 1.00 51.13 O ATOM 0 H TYR A 82 -13.650 15.168 -0.123 1.00 2.42 H new ATOM 0 HA TYR A 82 -11.928 17.471 0.325 1.00 41.14 H new ATOM 0 HB2 TYR A 82 -11.831 14.881 -1.190 1.00 15.42 H new ATOM 0 HB3 TYR A 82 -10.832 16.197 -1.776 1.00 15.42 H new ATOM 0 HD1 TYR A 82 -11.666 15.468 1.789 1.00 32.44 H new ATOM 0 HD2 TYR A 82 -8.658 15.408 -1.229 1.00 30.31 H new ATOM 0 HE1 TYR A 82 -9.974 14.939 3.488 1.00 2.31 H new ATOM 0 HE2 TYR A 82 -6.965 14.876 0.467 1.00 73.24 H new ATOM 0 HH TYR A 82 -7.794 13.950 3.682 1.00 51.13 H new ATOM 1219 N GLY A 83 -14.157 17.599 -1.862 1.00 34.32 N ATOM 1220 CA GLY A 83 -14.721 18.363 -2.959 1.00 44.13 C ATOM 1221 C GLY A 83 -14.846 19.838 -2.634 1.00 45.43 C ATOM 1222 O GLY A 83 -15.953 20.360 -2.509 1.00 2.53 O ATOM 0 H GLY A 83 -14.831 17.038 -1.340 1.00 34.32 H new ATOM 0 HA2 GLY A 83 -14.095 18.241 -3.843 1.00 44.13 H new ATOM 0 HA3 GLY A 83 -15.705 17.964 -3.208 1.00 44.13 H new ATOM 1226 N GLN A 84 -13.707 20.511 -2.496 1.00 74.24 N ATOM 1227 CA GLN A 84 -13.695 21.934 -2.181 1.00 51.44 C ATOM 1228 C GLN A 84 -14.591 22.235 -0.984 1.00 23.31 C ATOM 1229 O GLN A 84 -15.397 23.163 -1.018 1.00 54.14 O ATOM 1230 CB GLN A 84 -14.152 22.750 -3.392 1.00 41.11 C ATOM 1231 CG GLN A 84 -13.324 22.500 -4.642 1.00 63.40 C ATOM 1232 CD GLN A 84 -13.410 23.639 -5.638 1.00 14.42 C ATOM 1233 OE1 GLN A 84 -14.160 23.572 -6.613 1.00 23.34 O ATOM 1234 NE2 GLN A 84 -12.642 24.696 -5.397 1.00 73.54 N ATOM 0 H GLN A 84 -12.782 20.093 -2.597 1.00 74.24 H new ATOM 0 HA GLN A 84 -12.673 22.215 -1.926 1.00 51.44 H new ATOM 0 HB2 GLN A 84 -15.195 22.516 -3.605 1.00 41.11 H new ATOM 0 HB3 GLN A 84 -14.108 23.810 -3.143 1.00 41.11 H new ATOM 0 HG2 GLN A 84 -12.282 22.348 -4.359 1.00 63.40 H new ATOM 0 HG3 GLN A 84 -13.662 21.580 -5.119 1.00 63.40 H new ATOM 0 HE21 GLN A 84 -12.035 24.709 -4.577 1.00 73.54 H new ATOM 0 HE22 GLN A 84 -12.659 25.494 -6.032 1.00 73.54 H new ATOM 1243 N GLU A 85 -14.442 21.442 0.073 1.00 14.32 N ATOM 1244 CA GLU A 85 -15.240 21.624 1.281 1.00 65.33 C ATOM 1245 C GLU A 85 -14.448 21.218 2.521 1.00 74.01 C ATOM 1246 O GLU A 85 -15.020 20.992 3.588 1.00 1.51 O ATOM 1247 CB GLU A 85 -16.529 20.805 1.195 1.00 54.23 C ATOM 1248 CG GLU A 85 -17.716 21.593 0.664 1.00 23.41 C ATOM 1249 CD GLU A 85 -18.941 20.726 0.449 1.00 55.34 C ATOM 1250 OE1 GLU A 85 -19.020 19.646 1.070 1.00 34.12 O ATOM 1251 OE2 GLU A 85 -19.821 21.128 -0.341 1.00 52.02 O ATOM 0 H GLU A 85 -13.778 20.669 0.118 1.00 14.32 H new ATOM 0 HA GLU A 85 -15.495 22.681 1.363 1.00 65.33 H new ATOM 0 HB2 GLU A 85 -16.359 19.942 0.551 1.00 54.23 H new ATOM 0 HB3 GLU A 85 -16.772 20.421 2.186 1.00 54.23 H new ATOM 0 HG2 GLU A 85 -17.959 22.392 1.364 1.00 23.41 H new ATOM 0 HG3 GLU A 85 -17.441 22.067 -0.278 1.00 23.41 H new ATOM 1258 N ILE A 86 -13.131 21.127 2.371 1.00 33.35 N ATOM 1259 CA ILE A 86 -12.262 20.749 3.479 1.00 62.24 C ATOM 1260 C ILE A 86 -10.939 21.505 3.422 1.00 40.43 C ATOM 1261 O ILE A 86 -10.445 21.833 2.342 1.00 33.44 O ATOM 1262 CB ILE A 86 -11.975 19.236 3.478 1.00 32.42 C ATOM 1263 CG1 ILE A 86 -11.337 18.815 4.804 1.00 60.13 C ATOM 1264 CG2 ILE A 86 -11.073 18.868 2.310 1.00 73.45 C ATOM 1265 CD1 ILE A 86 -11.028 17.336 4.883 1.00 2.41 C ATOM 0 H ILE A 86 -12.643 21.310 1.494 1.00 33.35 H new ATOM 0 HA ILE A 86 -12.789 21.011 4.397 1.00 62.24 H new ATOM 0 HB ILE A 86 -12.919 18.703 3.364 1.00 32.42 H new ATOM 0 HG12 ILE A 86 -10.416 19.379 4.950 1.00 60.13 H new ATOM 0 HG13 ILE A 86 -12.007 19.082 5.621 1.00 60.13 H new ATOM 0 HG21 ILE A 86 -10.880 17.795 2.323 1.00 73.45 H new ATOM 0 HG22 ILE A 86 -11.562 19.137 1.374 1.00 73.45 H new ATOM 0 HG23 ILE A 86 -10.130 19.408 2.395 1.00 73.45 H new ATOM 0 HD11 ILE A 86 -10.578 17.109 5.850 1.00 2.41 H new ATOM 0 HD12 ILE A 86 -11.950 16.765 4.769 1.00 2.41 H new ATOM 0 HD13 ILE A 86 -10.334 17.066 4.087 1.00 2.41 H new ATOM 1277 N ARG A 87 -10.369 21.779 4.591 1.00 72.31 N ATOM 1278 CA ARG A 87 -9.103 22.496 4.674 1.00 2.14 C ATOM 1279 C ARG A 87 -8.008 21.601 5.247 1.00 44.11 C ATOM 1280 O ARG A 87 -8.253 20.805 6.154 1.00 23.31 O ATOM 1281 CB ARG A 87 -9.258 23.748 5.540 1.00 64.00 C ATOM 1282 CG ARG A 87 -9.248 25.043 4.745 1.00 51.33 C ATOM 1283 CD ARG A 87 -7.833 25.462 4.379 1.00 63.13 C ATOM 1284 NE ARG A 87 -7.789 26.807 3.811 1.00 32.14 N ATOM 1285 CZ ARG A 87 -6.693 27.556 3.780 1.00 43.12 C ATOM 1286 NH1 ARG A 87 -5.555 27.094 4.280 1.00 32.40 N ATOM 1287 NH2 ARG A 87 -6.733 28.770 3.247 1.00 45.44 N ATOM 0 H ARG A 87 -10.764 21.515 5.494 1.00 72.31 H new ATOM 0 HA ARG A 87 -8.815 22.793 3.665 1.00 2.14 H new ATOM 0 HB2 ARG A 87 -10.192 23.681 6.097 1.00 64.00 H new ATOM 0 HB3 ARG A 87 -8.451 23.775 6.273 1.00 64.00 H new ATOM 0 HG2 ARG A 87 -9.838 24.918 3.837 1.00 51.33 H new ATOM 0 HG3 ARG A 87 -9.723 25.832 5.328 1.00 51.33 H new ATOM 0 HD2 ARG A 87 -7.202 25.423 5.267 1.00 63.13 H new ATOM 0 HD3 ARG A 87 -7.419 24.752 3.663 1.00 63.13 H new ATOM 0 HE ARG A 87 -8.647 27.192 3.417 1.00 32.14 H new ATOM 0 HH11 ARG A 87 -5.520 26.161 4.690 1.00 32.40 H new ATOM 0 HH12 ARG A 87 -4.715 27.672 4.255 1.00 32.40 H new ATOM 0 HH21 ARG A 87 -7.606 29.129 2.861 1.00 45.44 H new ATOM 0 HH22 ARG A 87 -5.891 29.345 3.224 1.00 45.44 H new ATOM 1301 N LEU A 88 -6.800 21.737 4.711 1.00 23.11 N ATOM 1302 CA LEU A 88 -5.666 20.940 5.168 1.00 51.41 C ATOM 1303 C LEU A 88 -4.945 21.630 6.322 1.00 55.33 C ATOM 1304 O LEU A 88 -4.313 22.671 6.138 1.00 64.52 O ATOM 1305 CB LEU A 88 -4.691 20.697 4.015 1.00 43.21 C ATOM 1306 CG LEU A 88 -4.841 19.366 3.278 1.00 70.10 C ATOM 1307 CD1 LEU A 88 -4.360 18.216 4.149 1.00 4.12 C ATOM 1308 CD2 LEU A 88 -6.287 19.150 2.857 1.00 34.54 C ATOM 0 H LEU A 88 -6.580 22.391 3.960 1.00 23.11 H new ATOM 0 HA LEU A 88 -6.046 19.982 5.523 1.00 51.41 H new ATOM 0 HB2 LEU A 88 -4.806 21.505 3.292 1.00 43.21 H new ATOM 0 HB3 LEU A 88 -3.675 20.761 4.405 1.00 43.21 H new ATOM 0 HG LEU A 88 -4.223 19.398 2.381 1.00 70.10 H new ATOM 0 HD11 LEU A 88 -4.475 17.277 3.608 1.00 4.12 H new ATOM 0 HD12 LEU A 88 -3.310 18.364 4.400 1.00 4.12 H new ATOM 0 HD13 LEU A 88 -4.951 18.181 5.065 1.00 4.12 H new ATOM 0 HD21 LEU A 88 -6.375 18.198 2.334 1.00 34.54 H new ATOM 0 HD22 LEU A 88 -6.925 19.139 3.740 1.00 34.54 H new ATOM 0 HD23 LEU A 88 -6.598 19.958 2.195 1.00 34.54 H new ATOM 1320 N ILE A 89 -5.044 21.044 7.510 1.00 74.53 N ATOM 1321 CA ILE A 89 -4.399 21.600 8.692 1.00 13.23 C ATOM 1322 C ILE A 89 -3.372 20.630 9.266 1.00 11.22 C ATOM 1323 O ILE A 89 -3.642 19.445 9.460 1.00 22.33 O ATOM 1324 CB ILE A 89 -5.428 21.946 9.785 1.00 53.34 C ATOM 1325 CG1 ILE A 89 -4.748 22.678 10.943 1.00 0.33 C ATOM 1326 CG2 ILE A 89 -6.119 20.685 10.281 1.00 62.34 C ATOM 1327 CD1 ILE A 89 -4.692 24.179 10.760 1.00 31.24 C ATOM 0 H ILE A 89 -5.565 20.184 7.679 1.00 74.53 H new ATOM 0 HA ILE A 89 -3.895 22.514 8.376 1.00 13.23 H new ATOM 0 HB ILE A 89 -6.183 22.605 9.356 1.00 53.34 H new ATOM 0 HG12 ILE A 89 -5.280 22.452 11.867 1.00 0.33 H new ATOM 0 HG13 ILE A 89 -3.734 22.296 11.058 1.00 0.33 H new ATOM 0 HG21 ILE A 89 -6.843 20.946 11.053 1.00 62.34 H new ATOM 0 HG22 ILE A 89 -6.633 20.201 9.450 1.00 62.34 H new ATOM 0 HG23 ILE A 89 -5.377 20.003 10.696 1.00 62.34 H new ATOM 0 HD11 ILE A 89 -4.197 24.632 11.619 1.00 31.24 H new ATOM 0 HD12 ILE A 89 -4.134 24.414 9.854 1.00 31.24 H new ATOM 0 HD13 ILE A 89 -5.705 24.573 10.676 1.00 31.24 H new ATOM 1339 N PRO A 90 -2.165 21.144 9.547 1.00 73.14 N ATOM 1340 CA PRO A 90 -1.073 20.341 10.105 1.00 34.20 C ATOM 1341 C PRO A 90 -1.340 19.924 11.547 1.00 25.24 C ATOM 1342 O PRO A 90 -0.799 20.513 12.484 1.00 61.24 O ATOM 1343 CB PRO A 90 0.131 21.282 10.034 1.00 5.32 C ATOM 1344 CG PRO A 90 -0.456 22.651 10.057 1.00 44.31 C ATOM 1345 CD PRO A 90 -1.774 22.548 9.341 1.00 42.53 C ATOM 0 HA PRO A 90 -0.933 19.407 9.560 1.00 34.20 H new ATOM 0 HB2 PRO A 90 0.805 21.126 10.876 1.00 5.32 H new ATOM 0 HB3 PRO A 90 0.711 21.115 9.126 1.00 5.32 H new ATOM 0 HG2 PRO A 90 -0.594 22.999 11.081 1.00 44.31 H new ATOM 0 HG3 PRO A 90 0.202 23.366 9.563 1.00 44.31 H new ATOM 0 HD2 PRO A 90 -2.511 23.235 9.756 1.00 42.53 H new ATOM 0 HD3 PRO A 90 -1.676 22.787 8.282 1.00 42.53 H new ATOM 1353 N ARG A 91 -2.175 18.905 11.719 1.00 31.33 N ATOM 1354 CA ARG A 91 -2.513 18.410 13.048 1.00 31.43 C ATOM 1355 C ARG A 91 -1.968 17.000 13.258 1.00 5.24 C ATOM 1356 O ARG A 91 -1.658 16.294 12.299 1.00 43.14 O ATOM 1357 CB ARG A 91 -4.030 18.416 13.248 1.00 62.14 C ATOM 1358 CG ARG A 91 -4.489 19.290 14.403 1.00 24.14 C ATOM 1359 CD ARG A 91 -5.977 19.127 14.668 1.00 11.03 C ATOM 1360 NE ARG A 91 -6.294 17.814 15.224 1.00 2.10 N ATOM 1361 CZ ARG A 91 -7.530 17.406 15.486 1.00 74.32 C ATOM 1362 NH1 ARG A 91 -8.561 18.204 15.243 1.00 30.31 N ATOM 1363 NH2 ARG A 91 -7.738 16.196 15.991 1.00 10.51 N ATOM 0 H ARG A 91 -2.630 18.406 10.955 1.00 31.33 H new ATOM 0 HA ARG A 91 -2.054 19.072 13.782 1.00 31.43 H new ATOM 0 HB2 ARG A 91 -4.507 18.761 12.331 1.00 62.14 H new ATOM 0 HB3 ARG A 91 -4.369 17.394 13.419 1.00 62.14 H new ATOM 0 HG2 ARG A 91 -3.928 19.032 15.301 1.00 24.14 H new ATOM 0 HG3 ARG A 91 -4.270 20.334 14.180 1.00 24.14 H new ATOM 0 HD2 ARG A 91 -6.309 19.903 15.358 1.00 11.03 H new ATOM 0 HD3 ARG A 91 -6.528 19.270 13.739 1.00 11.03 H new ATOM 0 HE ARG A 91 -5.524 17.176 15.422 1.00 2.10 H new ATOM 0 HH11 ARG A 91 -8.406 19.134 14.854 1.00 30.31 H new ATOM 0 HH12 ARG A 91 -9.509 17.888 15.445 1.00 30.31 H new ATOM 0 HH21 ARG A 91 -6.948 15.579 16.178 1.00 10.51 H new ATOM 0 HH22 ARG A 91 -8.688 15.884 16.192 1.00 10.51 H new ATOM 1377 N ASP A 92 -1.852 16.598 14.519 1.00 34.02 N ATOM 1378 CA ASP A 92 -1.345 15.273 14.856 1.00 62.12 C ATOM 1379 C ASP A 92 0.103 15.114 14.402 1.00 51.13 C ATOM 1380 O ASP A 92 0.566 14.002 14.150 1.00 63.33 O ATOM 1381 CB ASP A 92 -2.215 14.192 14.214 1.00 72.44 C ATOM 1382 CG ASP A 92 -2.566 13.080 15.183 1.00 71.34 C ATOM 1383 OD1 ASP A 92 -3.513 13.261 15.976 1.00 34.23 O ATOM 1384 OD2 ASP A 92 -1.894 12.028 15.147 1.00 41.12 O ATOM 0 H ASP A 92 -2.102 17.171 15.325 1.00 34.02 H new ATOM 0 HA ASP A 92 -1.382 15.162 15.940 1.00 62.12 H new ATOM 0 HB2 ASP A 92 -3.132 14.644 13.837 1.00 72.44 H new ATOM 0 HB3 ASP A 92 -1.691 13.770 13.356 1.00 72.44 H new ATOM 1389 N ARG A 93 0.812 16.234 14.299 1.00 74.35 N ATOM 1390 CA ARG A 93 2.206 16.219 13.872 1.00 33.15 C ATOM 1391 C ARG A 93 3.059 17.106 14.774 1.00 23.12 C ATOM 1392 O ARG A 93 4.062 16.660 15.332 1.00 42.02 O ATOM 1393 CB ARG A 93 2.323 16.687 12.421 1.00 75.23 C ATOM 1394 CG ARG A 93 3.758 16.841 11.944 1.00 74.20 C ATOM 1395 CD ARG A 93 4.468 15.498 11.873 1.00 2.25 C ATOM 1396 NE ARG A 93 5.809 15.558 12.449 1.00 21.22 N ATOM 1397 CZ ARG A 93 6.545 14.483 12.710 1.00 2.32 C ATOM 1398 NH1 ARG A 93 6.073 13.272 12.448 1.00 41.52 N ATOM 1399 NH2 ARG A 93 7.757 14.619 13.234 1.00 33.13 N ATOM 0 H ARG A 93 0.444 17.163 14.505 1.00 74.35 H new ATOM 0 HA ARG A 93 2.572 15.195 13.946 1.00 33.15 H new ATOM 0 HB2 ARG A 93 1.809 15.974 11.776 1.00 75.23 H new ATOM 0 HB3 ARG A 93 1.809 17.642 12.314 1.00 75.23 H new ATOM 0 HG2 ARG A 93 3.767 17.311 10.961 1.00 74.20 H new ATOM 0 HG3 ARG A 93 4.298 17.504 12.620 1.00 74.20 H new ATOM 0 HD2 ARG A 93 3.879 14.748 12.402 1.00 2.25 H new ATOM 0 HD3 ARG A 93 4.534 15.177 10.833 1.00 2.25 H new ATOM 0 HE ARG A 93 6.202 16.475 12.662 1.00 21.22 H new ATOM 0 HH11 ARG A 93 5.142 13.164 12.045 1.00 41.52 H new ATOM 0 HH12 ARG A 93 6.641 12.449 12.650 1.00 41.52 H new ATOM 0 HH21 ARG A 93 8.124 15.549 13.436 1.00 33.13 H new ATOM 0 HH22 ARG A 93 8.322 13.793 13.434 1.00 33.13 H new ATOM 1413 N VAL A 94 2.654 18.364 14.912 1.00 4.53 N ATOM 1414 CA VAL A 94 3.381 19.314 15.746 1.00 1.23 C ATOM 1415 C VAL A 94 2.847 19.312 17.174 1.00 1.43 C ATOM 1416 O VAL A 94 3.592 19.087 18.127 1.00 64.34 O ATOM 1417 CB VAL A 94 3.292 20.743 15.178 1.00 13.12 C ATOM 1418 CG1 VAL A 94 4.038 21.721 16.073 1.00 52.21 C ATOM 1419 CG2 VAL A 94 3.835 20.786 13.758 1.00 53.21 C ATOM 0 H VAL A 94 1.826 18.749 14.457 1.00 4.53 H new ATOM 0 HA VAL A 94 4.424 18.998 15.751 1.00 1.23 H new ATOM 0 HB VAL A 94 2.244 21.040 15.151 1.00 13.12 H new ATOM 0 HG11 VAL A 94 3.964 22.725 15.656 1.00 52.21 H new ATOM 0 HG12 VAL A 94 3.599 21.709 17.070 1.00 52.21 H new ATOM 0 HG13 VAL A 94 5.087 21.430 16.135 1.00 52.21 H new ATOM 0 HG21 VAL A 94 3.764 21.803 13.372 1.00 53.21 H new ATOM 0 HG22 VAL A 94 4.878 20.469 13.758 1.00 53.21 H new ATOM 0 HG23 VAL A 94 3.252 20.117 13.125 1.00 53.21 H new ATOM 1429 N GLY A 95 1.549 19.566 17.315 1.00 24.55 N ATOM 1430 CA GLY A 95 0.937 19.588 18.631 1.00 52.11 C ATOM 1431 C GLY A 95 -0.543 19.910 18.576 1.00 54.13 C ATOM 1432 O GLY A 95 -1.239 19.507 17.643 1.00 4.42 O ATOM 0 H GLY A 95 0.911 19.757 16.542 1.00 24.55 H new ATOM 0 HA2 GLY A 95 1.077 18.619 19.110 1.00 52.11 H new ATOM 0 HA3 GLY A 95 1.444 20.327 19.252 1.00 52.11 H new