USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 292 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 Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 104:sc= 1.19 USER MOD Single : A 70 GLN : amide:sc=-0.00295 K(o=-0.0029,f=-0.56) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0564 K(o=0.056,f=-0.87) USER MOD Single : A 80 THR OG1 : rot 120:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 151 N LYS A 51 -2.162 -5.131 -0.982 1.00 31.41 N ATOM 152 CA LYS A 51 -1.817 -3.948 -0.203 1.00 21.53 C ATOM 153 C LYS A 51 -1.731 -2.715 -1.096 1.00 54.22 C ATOM 154 O LYS A 51 -2.212 -1.640 -0.735 1.00 10.25 O ATOM 155 CB LYS A 51 -0.485 -4.159 0.521 1.00 74.51 C ATOM 156 CG LYS A 51 -0.639 -4.696 1.933 1.00 34.32 C ATOM 157 CD LYS A 51 0.508 -4.253 2.827 1.00 62.12 C ATOM 158 CE LYS A 51 0.260 -4.629 4.280 1.00 52.33 C ATOM 159 NZ LYS A 51 1.480 -4.450 5.114 1.00 65.02 N ATOM 0 HA LYS A 51 -2.603 -3.788 0.534 1.00 21.53 H new ATOM 0 HB2 LYS A 51 0.128 -4.851 -0.057 1.00 74.51 H new ATOM 0 HB3 LYS A 51 0.053 -3.212 0.558 1.00 74.51 H new ATOM 0 HG2 LYS A 51 -1.583 -4.351 2.354 1.00 34.32 H new ATOM 0 HG3 LYS A 51 -0.681 -5.785 1.906 1.00 34.32 H new ATOM 0 HD2 LYS A 51 1.436 -4.712 2.485 1.00 62.12 H new ATOM 0 HD3 LYS A 51 0.638 -3.174 2.746 1.00 62.12 H new ATOM 0 HE2 LYS A 51 -0.547 -4.016 4.681 1.00 52.33 H new ATOM 0 HE3 LYS A 51 -0.069 -5.667 4.336 1.00 52.33 H new ATOM 0 HZ1 LYS A 51 1.271 -4.716 6.097 1.00 65.02 H new ATOM 0 HZ2 LYS A 51 2.243 -5.054 4.747 1.00 65.02 H new ATOM 0 HZ3 LYS A 51 1.780 -3.455 5.081 1.00 65.02 H new ATOM 173 N VAL A 52 -1.119 -2.876 -2.265 1.00 24.41 N ATOM 174 CA VAL A 52 -0.974 -1.777 -3.211 1.00 4.34 C ATOM 175 C VAL A 52 -2.207 -1.647 -4.098 1.00 23.40 C ATOM 176 O VAL A 52 -2.765 -0.561 -4.248 1.00 61.14 O ATOM 177 CB VAL A 52 0.269 -1.963 -4.102 1.00 14.23 C ATOM 178 CG1 VAL A 52 0.519 -0.716 -4.937 1.00 35.32 C ATOM 179 CG2 VAL A 52 1.486 -2.299 -3.253 1.00 42.05 C ATOM 0 H VAL A 52 -0.715 -3.758 -2.579 1.00 24.41 H new ATOM 0 HA VAL A 52 -0.857 -0.867 -2.622 1.00 4.34 H new ATOM 0 HB VAL A 52 0.087 -2.795 -4.782 1.00 14.23 H new ATOM 0 HG11 VAL A 52 1.401 -0.866 -5.560 1.00 35.32 H new ATOM 0 HG12 VAL A 52 -0.346 -0.524 -5.572 1.00 35.32 H new ATOM 0 HG13 VAL A 52 0.681 0.137 -4.278 1.00 35.32 H new ATOM 0 HG21 VAL A 52 2.355 -2.427 -3.898 1.00 42.05 H new ATOM 0 HG22 VAL A 52 1.673 -1.489 -2.548 1.00 42.05 H new ATOM 0 HG23 VAL A 52 1.303 -3.222 -2.704 1.00 42.05 H new ATOM 189 N ASP A 53 -2.627 -2.764 -4.682 1.00 32.25 N ATOM 190 CA ASP A 53 -3.797 -2.777 -5.554 1.00 24.44 C ATOM 191 C ASP A 53 -4.995 -2.130 -4.866 1.00 4.10 C ATOM 192 O ASP A 53 -5.860 -1.548 -5.521 1.00 62.14 O ATOM 193 CB ASP A 53 -4.140 -4.211 -5.959 1.00 73.22 C ATOM 194 CG ASP A 53 -5.034 -4.268 -7.183 1.00 24.54 C ATOM 195 OD1 ASP A 53 -6.268 -4.367 -7.013 1.00 45.52 O ATOM 196 OD2 ASP A 53 -4.499 -4.215 -8.310 1.00 12.13 O ATOM 0 H ASP A 53 -2.176 -3.672 -4.568 1.00 32.25 H new ATOM 0 HA ASP A 53 -3.560 -2.201 -6.448 1.00 24.44 H new ATOM 0 HB2 ASP A 53 -3.219 -4.759 -6.159 1.00 73.22 H new ATOM 0 HB3 ASP A 53 -4.635 -4.712 -5.127 1.00 73.22 H new ATOM 202 N PHE A 54 -5.039 -2.234 -3.542 1.00 24.21 N ATOM 203 CA PHE A 54 -6.131 -1.661 -2.766 1.00 1.12 C ATOM 204 C PHE A 54 -6.178 -0.144 -2.931 1.00 31.11 C ATOM 205 O PHE A 54 -7.083 0.395 -3.568 1.00 31.05 O ATOM 206 CB PHE A 54 -5.977 -2.020 -1.286 1.00 74.22 C ATOM 207 CG PHE A 54 -7.156 -1.617 -0.446 1.00 63.33 C ATOM 208 CD1 PHE A 54 -7.320 -0.302 -0.045 1.00 55.30 C ATOM 209 CD2 PHE A 54 -8.099 -2.556 -0.058 1.00 44.00 C ATOM 210 CE1 PHE A 54 -8.405 0.072 0.728 1.00 65.42 C ATOM 211 CE2 PHE A 54 -9.184 -2.189 0.714 1.00 55.43 C ATOM 212 CZ PHE A 54 -9.337 -0.874 1.108 1.00 4.43 C ATOM 0 H PHE A 54 -4.330 -2.710 -2.984 1.00 24.21 H new ATOM 0 HA PHE A 54 -7.066 -2.079 -3.138 1.00 1.12 H new ATOM 0 HB2 PHE A 54 -5.827 -3.096 -1.195 1.00 74.22 H new ATOM 0 HB3 PHE A 54 -5.081 -1.539 -0.895 1.00 74.22 H new ATOM 0 HD1 PHE A 54 -6.593 0.440 -0.339 1.00 55.30 H new ATOM 0 HD2 PHE A 54 -7.984 -3.586 -0.363 1.00 44.00 H new ATOM 0 HE1 PHE A 54 -8.523 1.101 1.034 1.00 65.42 H new ATOM 0 HE2 PHE A 54 -9.912 -2.930 1.009 1.00 55.43 H new ATOM 0 HZ PHE A 54 -10.184 -0.586 1.712 1.00 4.43 H new ATOM 222 N PHE A 55 -5.195 0.538 -2.352 1.00 2.30 N ATOM 223 CA PHE A 55 -5.124 1.992 -2.433 1.00 42.11 C ATOM 224 C PHE A 55 -5.071 2.455 -3.886 1.00 74.43 C ATOM 225 O PHE A 55 -5.429 3.589 -4.201 1.00 54.41 O ATOM 226 CB PHE A 55 -3.896 2.506 -1.677 1.00 51.13 C ATOM 227 CG PHE A 55 -4.107 2.617 -0.195 1.00 13.05 C ATOM 228 CD1 PHE A 55 -4.811 3.684 0.340 1.00 3.30 C ATOM 229 CD2 PHE A 55 -3.603 1.654 0.664 1.00 71.21 C ATOM 230 CE1 PHE A 55 -5.006 3.789 1.705 1.00 63.54 C ATOM 231 CE2 PHE A 55 -3.796 1.753 2.029 1.00 32.51 C ATOM 232 CZ PHE A 55 -4.499 2.821 2.550 1.00 1.34 C ATOM 0 H PHE A 55 -4.437 0.107 -1.822 1.00 2.30 H new ATOM 0 HA PHE A 55 -6.024 2.401 -1.973 1.00 42.11 H new ATOM 0 HB2 PHE A 55 -3.056 1.838 -1.867 1.00 51.13 H new ATOM 0 HB3 PHE A 55 -3.620 3.484 -2.071 1.00 51.13 H new ATOM 0 HD1 PHE A 55 -5.212 4.442 -0.316 1.00 3.30 H new ATOM 0 HD2 PHE A 55 -3.053 0.816 0.262 1.00 71.21 H new ATOM 0 HE1 PHE A 55 -5.554 4.627 2.110 1.00 63.54 H new ATOM 0 HE2 PHE A 55 -3.397 0.996 2.688 1.00 32.51 H new ATOM 0 HZ PHE A 55 -4.652 2.899 3.616 1.00 1.34 H new ATOM 242 N ARG A 56 -4.621 1.566 -4.767 1.00 55.40 N ATOM 243 CA ARG A 56 -4.520 1.883 -6.186 1.00 41.55 C ATOM 244 C ARG A 56 -5.895 2.183 -6.776 1.00 32.30 C ATOM 245 O ARG A 56 -6.014 2.902 -7.769 1.00 5.22 O ATOM 246 CB ARG A 56 -3.871 0.724 -6.944 1.00 5.21 C ATOM 247 CG ARG A 56 -2.354 0.706 -6.845 1.00 23.55 C ATOM 248 CD ARG A 56 -1.707 1.317 -8.077 1.00 53.33 C ATOM 249 NE ARG A 56 -2.079 0.609 -9.299 1.00 11.40 N ATOM 250 CZ ARG A 56 -1.515 -0.527 -9.691 1.00 41.03 C ATOM 251 NH1 ARG A 56 -0.557 -1.082 -8.960 1.00 53.25 N ATOM 252 NH2 ARG A 56 -1.908 -1.111 -10.816 1.00 3.22 N ATOM 0 H ARG A 56 -4.321 0.622 -4.523 1.00 55.40 H new ATOM 0 HA ARG A 56 -3.897 2.771 -6.290 1.00 41.55 H new ATOM 0 HB2 ARG A 56 -4.263 -0.217 -6.558 1.00 5.21 H new ATOM 0 HB3 ARG A 56 -4.158 0.782 -7.994 1.00 5.21 H new ATOM 0 HG2 ARG A 56 -2.040 1.256 -5.958 1.00 23.55 H new ATOM 0 HG3 ARG A 56 -2.009 -0.321 -6.723 1.00 23.55 H new ATOM 0 HD2 ARG A 56 -2.002 2.363 -8.160 1.00 53.33 H new ATOM 0 HD3 ARG A 56 -0.623 1.299 -7.964 1.00 53.33 H new ATOM 0 HE ARG A 56 -2.813 1.010 -9.884 1.00 11.40 H new ATOM 0 HH11 ARG A 56 -0.252 -0.636 -8.095 1.00 53.25 H new ATOM 0 HH12 ARG A 56 -0.125 -1.955 -9.263 1.00 53.25 H new ATOM 0 HH21 ARG A 56 -2.644 -0.687 -11.381 1.00 3.22 H new ATOM 0 HH22 ARG A 56 -1.474 -1.984 -11.116 1.00 3.22 H new ATOM 266 N LYS A 57 -6.932 1.628 -6.159 1.00 61.31 N ATOM 267 CA LYS A 57 -8.300 1.835 -6.620 1.00 61.23 C ATOM 268 C LYS A 57 -8.958 2.989 -5.872 1.00 51.51 C ATOM 269 O LYS A 57 -9.918 3.589 -6.356 1.00 33.24 O ATOM 270 CB LYS A 57 -9.121 0.558 -6.436 1.00 34.45 C ATOM 271 CG LYS A 57 -9.719 0.415 -5.046 1.00 4.44 C ATOM 272 CD LYS A 57 -9.728 -1.034 -4.589 1.00 12.25 C ATOM 273 CE LYS A 57 -10.501 -1.203 -3.289 1.00 60.31 C ATOM 274 NZ LYS A 57 -11.137 -2.546 -3.194 1.00 33.01 N ATOM 0 H LYS A 57 -6.851 1.030 -5.337 1.00 61.31 H new ATOM 0 HA LYS A 57 -8.265 2.087 -7.680 1.00 61.23 H new ATOM 0 HB2 LYS A 57 -9.925 0.544 -7.172 1.00 34.45 H new ATOM 0 HB3 LYS A 57 -8.487 -0.305 -6.640 1.00 34.45 H new ATOM 0 HG2 LYS A 57 -9.147 1.017 -4.339 1.00 4.44 H new ATOM 0 HG3 LYS A 57 -10.737 0.804 -5.045 1.00 4.44 H new ATOM 0 HD2 LYS A 57 -10.175 -1.658 -5.363 1.00 12.25 H new ATOM 0 HD3 LYS A 57 -8.703 -1.380 -4.452 1.00 12.25 H new ATOM 0 HE2 LYS A 57 -9.827 -1.059 -2.444 1.00 60.31 H new ATOM 0 HE3 LYS A 57 -11.268 -0.432 -3.219 1.00 60.31 H new ATOM 0 HZ1 LYS A 57 -11.654 -2.622 -2.295 1.00 33.01 H new ATOM 0 HZ2 LYS A 57 -11.799 -2.673 -3.986 1.00 33.01 H new ATOM 0 HZ3 LYS A 57 -10.403 -3.281 -3.235 1.00 33.01 H new ATOM 288 N LEU A 58 -8.434 3.296 -4.690 1.00 41.35 N ATOM 289 CA LEU A 58 -8.970 4.381 -3.874 1.00 63.43 C ATOM 290 C LEU A 58 -8.876 5.714 -4.611 1.00 65.41 C ATOM 291 O LEU A 58 -9.586 6.665 -4.287 1.00 61.23 O ATOM 292 CB LEU A 58 -8.218 4.466 -2.545 1.00 73.30 C ATOM 293 CG LEU A 58 -8.834 3.697 -1.376 1.00 22.15 C ATOM 294 CD1 LEU A 58 -10.191 4.280 -1.010 1.00 71.53 C ATOM 295 CD2 LEU A 58 -8.960 2.219 -1.715 1.00 50.22 C ATOM 0 H LEU A 58 -7.639 2.809 -4.275 1.00 41.35 H new ATOM 0 HA LEU A 58 -10.021 4.169 -3.676 1.00 63.43 H new ATOM 0 HB2 LEU A 58 -7.203 4.100 -2.700 1.00 73.30 H new ATOM 0 HB3 LEU A 58 -8.138 5.516 -2.262 1.00 73.30 H new ATOM 0 HG LEU A 58 -8.174 3.795 -0.514 1.00 22.15 H new ATOM 0 HD11 LEU A 58 -10.615 3.720 -0.176 1.00 71.53 H new ATOM 0 HD12 LEU A 58 -10.073 5.325 -0.723 1.00 71.53 H new ATOM 0 HD13 LEU A 58 -10.859 4.213 -1.869 1.00 71.53 H new ATOM 0 HD21 LEU A 58 -9.400 1.688 -0.871 1.00 50.22 H new ATOM 0 HD22 LEU A 58 -9.597 2.100 -2.591 1.00 50.22 H new ATOM 0 HD23 LEU A 58 -7.973 1.809 -1.926 1.00 50.22 H new ATOM 307 N GLY A 59 -7.994 5.775 -5.604 1.00 65.13 N ATOM 308 CA GLY A 59 -7.824 6.994 -6.372 1.00 42.53 C ATOM 309 C GLY A 59 -6.451 7.609 -6.188 1.00 11.02 C ATOM 310 O GLY A 59 -6.261 8.802 -6.423 1.00 41.24 O ATOM 0 H GLY A 59 -7.394 5.001 -5.890 1.00 65.13 H new ATOM 0 HA2 GLY A 59 -7.984 6.779 -7.429 1.00 42.53 H new ATOM 0 HA3 GLY A 59 -8.585 7.716 -6.075 1.00 42.53 H new ATOM 314 N TYR A 60 -5.491 6.794 -5.764 1.00 33.04 N ATOM 315 CA TYR A 60 -4.130 7.266 -5.543 1.00 62.44 C ATOM 316 C TYR A 60 -3.241 6.945 -6.742 1.00 15.41 C ATOM 317 O TYR A 60 -3.702 6.391 -7.739 1.00 53.01 O ATOM 318 CB TYR A 60 -3.546 6.633 -4.279 1.00 15.24 C ATOM 319 CG TYR A 60 -4.003 7.301 -3.001 1.00 34.21 C ATOM 320 CD1 TYR A 60 -3.559 8.572 -2.661 1.00 24.42 C ATOM 321 CD2 TYR A 60 -4.882 6.660 -2.135 1.00 72.30 C ATOM 322 CE1 TYR A 60 -3.974 9.185 -1.495 1.00 22.05 C ATOM 323 CE2 TYR A 60 -5.303 7.267 -0.968 1.00 64.30 C ATOM 324 CZ TYR A 60 -4.846 8.529 -0.651 1.00 52.04 C ATOM 325 OH TYR A 60 -5.262 9.137 0.511 1.00 20.42 O ATOM 0 H TYR A 60 -5.631 5.803 -5.567 1.00 33.04 H new ATOM 0 HA TYR A 60 -4.165 8.348 -5.417 1.00 62.44 H new ATOM 0 HB2 TYR A 60 -3.824 5.580 -4.248 1.00 15.24 H new ATOM 0 HB3 TYR A 60 -2.458 6.674 -4.332 1.00 15.24 H new ATOM 0 HD1 TYR A 60 -2.878 9.090 -3.320 1.00 24.42 H new ATOM 0 HD2 TYR A 60 -5.241 5.671 -2.379 1.00 72.30 H new ATOM 0 HE1 TYR A 60 -3.617 10.173 -1.245 1.00 22.05 H new ATOM 0 HE2 TYR A 60 -5.987 6.756 -0.307 1.00 64.30 H new ATOM 0 HH TYR A 60 -5.875 8.541 0.991 1.00 20.42 H new ATOM 335 N SER A 61 -1.964 7.299 -6.635 1.00 33.41 N ATOM 336 CA SER A 61 -1.011 7.052 -7.709 1.00 42.24 C ATOM 337 C SER A 61 -0.147 5.832 -7.401 1.00 54.23 C ATOM 338 O SER A 61 0.316 5.655 -6.275 1.00 51.32 O ATOM 339 CB SER A 61 -0.123 8.279 -7.923 1.00 62.43 C ATOM 340 OG SER A 61 0.264 8.399 -9.281 1.00 75.24 O ATOM 0 H SER A 61 -1.566 7.758 -5.815 1.00 33.41 H new ATOM 0 HA SER A 61 -1.573 6.855 -8.622 1.00 42.24 H new ATOM 0 HB2 SER A 61 -0.658 9.177 -7.613 1.00 62.43 H new ATOM 0 HB3 SER A 61 0.764 8.204 -7.294 1.00 62.43 H new ATOM 0 HG SER A 61 0.829 9.192 -9.391 1.00 75.24 H new ATOM 346 N SER A 62 0.062 4.994 -8.410 1.00 45.15 N ATOM 347 CA SER A 62 0.867 3.788 -8.248 1.00 54.13 C ATOM 348 C SER A 62 2.253 4.128 -7.708 1.00 73.44 C ATOM 349 O SER A 62 2.772 3.445 -6.825 1.00 54.24 O ATOM 350 CB SER A 62 0.994 3.050 -9.583 1.00 33.42 C ATOM 351 OG SER A 62 1.878 1.949 -9.474 1.00 22.44 O ATOM 0 H SER A 62 -0.314 5.127 -9.349 1.00 45.15 H new ATOM 0 HA SER A 62 0.365 3.140 -7.529 1.00 54.13 H new ATOM 0 HB2 SER A 62 0.012 2.702 -9.905 1.00 33.42 H new ATOM 0 HB3 SER A 62 1.355 3.736 -10.349 1.00 33.42 H new ATOM 0 HG SER A 62 1.941 1.493 -10.339 1.00 22.44 H new ATOM 357 N SER A 63 2.846 5.189 -8.246 1.00 5.21 N ATOM 358 CA SER A 63 4.173 5.619 -7.822 1.00 63.33 C ATOM 359 C SER A 63 4.171 6.020 -6.350 1.00 71.21 C ATOM 360 O SER A 63 5.198 5.955 -5.676 1.00 41.24 O ATOM 361 CB SER A 63 4.652 6.791 -8.681 1.00 63.22 C ATOM 362 OG SER A 63 5.097 6.344 -9.951 1.00 12.53 O ATOM 0 H SER A 63 2.429 5.766 -8.976 1.00 5.21 H new ATOM 0 HA SER A 63 4.857 4.780 -7.951 1.00 63.33 H new ATOM 0 HB2 SER A 63 3.841 7.508 -8.808 1.00 63.22 H new ATOM 0 HB3 SER A 63 5.462 7.313 -8.171 1.00 63.22 H new ATOM 0 HG SER A 63 5.396 7.112 -10.482 1.00 12.53 H new ATOM 368 N GLU A 64 3.007 6.435 -5.859 1.00 72.12 N ATOM 369 CA GLU A 64 2.871 6.848 -4.468 1.00 34.24 C ATOM 370 C GLU A 64 2.745 5.636 -3.549 1.00 74.14 C ATOM 371 O GLU A 64 3.519 5.476 -2.605 1.00 71.53 O ATOM 372 CB GLU A 64 1.651 7.757 -4.300 1.00 20.14 C ATOM 373 CG GLU A 64 1.765 9.073 -5.051 1.00 12.51 C ATOM 374 CD GLU A 64 2.320 10.191 -4.189 1.00 64.44 C ATOM 375 OE1 GLU A 64 3.515 10.521 -4.346 1.00 71.32 O ATOM 376 OE2 GLU A 64 1.564 10.733 -3.358 1.00 15.12 O ATOM 0 H GLU A 64 2.146 6.494 -6.403 1.00 72.12 H new ATOM 0 HA GLU A 64 3.769 7.400 -4.191 1.00 34.24 H new ATOM 0 HB2 GLU A 64 0.763 7.227 -4.645 1.00 20.14 H new ATOM 0 HB3 GLU A 64 1.506 7.965 -3.240 1.00 20.14 H new ATOM 0 HG2 GLU A 64 2.408 8.936 -5.920 1.00 12.51 H new ATOM 0 HG3 GLU A 64 0.782 9.361 -5.424 1.00 12.51 H new ATOM 384 N ILE A 65 1.764 4.785 -3.835 1.00 10.22 N ATOM 385 CA ILE A 65 1.537 3.587 -3.035 1.00 51.05 C ATOM 386 C ILE A 65 2.742 2.654 -3.090 1.00 63.51 C ATOM 387 O ILE A 65 3.099 2.023 -2.094 1.00 53.42 O ATOM 388 CB ILE A 65 0.288 2.822 -3.511 1.00 32.21 C ATOM 389 CG1 ILE A 65 -0.949 3.717 -3.422 1.00 14.33 C ATOM 390 CG2 ILE A 65 0.095 1.559 -2.686 1.00 71.11 C ATOM 391 CD1 ILE A 65 -2.079 3.280 -4.329 1.00 3.35 C ATOM 0 H ILE A 65 1.115 4.903 -4.613 1.00 10.22 H new ATOM 0 HA ILE A 65 1.382 3.917 -2.008 1.00 51.05 H new ATOM 0 HB ILE A 65 0.431 2.534 -4.553 1.00 32.21 H new ATOM 0 HG12 ILE A 65 -1.305 3.729 -2.392 1.00 14.33 H new ATOM 0 HG13 ILE A 65 -0.667 4.739 -3.674 1.00 14.33 H new ATOM 0 HG21 ILE A 65 -0.792 1.029 -3.034 1.00 71.11 H new ATOM 0 HG22 ILE A 65 0.968 0.916 -2.795 1.00 71.11 H new ATOM 0 HG23 ILE A 65 -0.030 1.826 -1.637 1.00 71.11 H new ATOM 0 HD11 ILE A 65 -2.923 3.960 -4.213 1.00 3.35 H new ATOM 0 HD12 ILE A 65 -1.741 3.295 -5.365 1.00 3.35 H new ATOM 0 HD13 ILE A 65 -2.389 2.269 -4.063 1.00 3.35 H new ATOM 403 N HIS A 66 3.367 2.570 -4.261 1.00 24.11 N ATOM 404 CA HIS A 66 4.535 1.715 -4.445 1.00 14.21 C ATOM 405 C HIS A 66 5.752 2.299 -3.736 1.00 21.13 C ATOM 406 O HIS A 66 6.676 1.573 -3.369 1.00 12.43 O ATOM 407 CB HIS A 66 4.832 1.537 -5.934 1.00 44.31 C ATOM 408 CG HIS A 66 5.626 0.306 -6.243 1.00 71.24 C ATOM 409 ND1 HIS A 66 6.985 0.324 -6.473 1.00 43.40 N ATOM 410 CD2 HIS A 66 5.244 -0.987 -6.358 1.00 20.51 C ATOM 411 CE1 HIS A 66 7.405 -0.904 -6.718 1.00 24.31 C ATOM 412 NE2 HIS A 66 6.368 -1.720 -6.653 1.00 41.45 N ATOM 0 H HIS A 66 3.084 3.083 -5.096 1.00 24.11 H new ATOM 0 HA HIS A 66 4.316 0.741 -4.008 1.00 14.21 H new ATOM 0 HB2 HIS A 66 3.890 1.499 -6.482 1.00 44.31 H new ATOM 0 HB3 HIS A 66 5.376 2.410 -6.295 1.00 44.31 H new ATOM 0 HD2 HIS A 66 4.242 -1.371 -6.240 1.00 20.51 H new ATOM 0 HE1 HIS A 66 8.423 -1.192 -6.935 1.00 24.31 H new ATOM 0 HE2 HIS A 66 6.397 -2.729 -6.798 1.00 41.45 H new ATOM 421 N SER A 67 5.747 3.615 -3.547 1.00 43.34 N ATOM 422 CA SER A 67 6.854 4.296 -2.886 1.00 40.23 C ATOM 423 C SER A 67 6.825 4.047 -1.382 1.00 53.40 C ATOM 424 O SER A 67 7.755 3.468 -0.819 1.00 12.55 O ATOM 425 CB SER A 67 6.796 5.799 -3.167 1.00 40.43 C ATOM 426 OG SER A 67 7.495 6.124 -4.357 1.00 33.41 O ATOM 0 H SER A 67 4.989 4.230 -3.842 1.00 43.34 H new ATOM 0 HA SER A 67 7.786 3.894 -3.285 1.00 40.23 H new ATOM 0 HB2 SER A 67 5.757 6.116 -3.254 1.00 40.43 H new ATOM 0 HB3 SER A 67 7.227 6.346 -2.328 1.00 40.43 H new ATOM 0 HG SER A 67 6.853 6.300 -5.076 1.00 33.41 H new ATOM 432 N VAL A 68 5.750 4.488 -0.736 1.00 31.41 N ATOM 433 CA VAL A 68 5.598 4.313 0.704 1.00 72.03 C ATOM 434 C VAL A 68 5.801 2.855 1.104 1.00 53.41 C ATOM 435 O VAL A 68 6.330 2.563 2.177 1.00 72.21 O ATOM 436 CB VAL A 68 4.209 4.776 1.181 1.00 14.25 C ATOM 437 CG1 VAL A 68 4.040 6.272 0.961 1.00 3.23 C ATOM 438 CG2 VAL A 68 3.113 3.997 0.469 1.00 44.31 C ATOM 0 H VAL A 68 4.972 4.969 -1.187 1.00 31.41 H new ATOM 0 HA VAL A 68 6.361 4.928 1.181 1.00 72.03 H new ATOM 0 HB VAL A 68 4.127 4.578 2.250 1.00 14.25 H new ATOM 0 HG11 VAL A 68 3.053 6.581 1.304 1.00 3.23 H new ATOM 0 HG12 VAL A 68 4.804 6.811 1.522 1.00 3.23 H new ATOM 0 HG13 VAL A 68 4.142 6.498 -0.100 1.00 3.23 H new ATOM 0 HG21 VAL A 68 2.138 4.338 0.819 1.00 44.31 H new ATOM 0 HG22 VAL A 68 3.190 4.160 -0.606 1.00 44.31 H new ATOM 0 HG23 VAL A 68 3.224 2.934 0.683 1.00 44.31 H new ATOM 448 N LEU A 69 5.376 1.945 0.235 1.00 1.11 N ATOM 449 CA LEU A 69 5.512 0.516 0.497 1.00 34.24 C ATOM 450 C LEU A 69 6.941 0.049 0.245 1.00 51.14 C ATOM 451 O LEU A 69 7.431 -0.864 0.908 1.00 63.15 O ATOM 452 CB LEU A 69 4.541 -0.278 -0.379 1.00 11.54 C ATOM 453 CG LEU A 69 3.182 -0.598 0.245 1.00 22.32 C ATOM 454 CD1 LEU A 69 3.333 -1.634 1.348 1.00 33.02 C ATOM 455 CD2 LEU A 69 2.530 0.667 0.784 1.00 24.01 C ATOM 0 H LEU A 69 4.935 2.170 -0.657 1.00 1.11 H new ATOM 0 HA LEU A 69 5.272 0.340 1.546 1.00 34.24 H new ATOM 0 HB2 LEU A 69 4.373 0.281 -1.299 1.00 11.54 H new ATOM 0 HB3 LEU A 69 5.020 -1.216 -0.659 1.00 11.54 H new ATOM 0 HG LEU A 69 2.537 -1.012 -0.529 1.00 22.32 H new ATOM 0 HD11 LEU A 69 2.356 -1.850 1.781 1.00 33.02 H new ATOM 0 HD12 LEU A 69 3.756 -2.549 0.933 1.00 33.02 H new ATOM 0 HD13 LEU A 69 3.996 -1.247 2.122 1.00 33.02 H new ATOM 0 HD21 LEU A 69 1.564 0.419 1.224 1.00 24.01 H new ATOM 0 HD22 LEU A 69 3.172 1.112 1.544 1.00 24.01 H new ATOM 0 HD23 LEU A 69 2.386 1.378 -0.030 1.00 24.01 H new ATOM 467 N GLN A 70 7.604 0.684 -0.718 1.00 31.32 N ATOM 468 CA GLN A 70 8.979 0.333 -1.057 1.00 34.33 C ATOM 469 C GLN A 70 9.915 0.611 0.114 1.00 3.42 C ATOM 470 O GLN A 70 10.963 -0.021 0.248 1.00 23.52 O ATOM 471 CB GLN A 70 9.437 1.114 -2.289 1.00 52.15 C ATOM 472 CG GLN A 70 10.923 0.978 -2.577 1.00 42.13 C ATOM 473 CD GLN A 70 11.326 -0.448 -2.901 1.00 0.31 C ATOM 474 OE1 GLN A 70 10.557 -1.203 -3.498 1.00 4.40 O ATOM 475 NE2 GLN A 70 12.538 -0.824 -2.509 1.00 12.35 N ATOM 0 H GLN A 70 7.212 1.443 -1.276 1.00 31.32 H new ATOM 0 HA GLN A 70 9.012 -0.734 -1.279 1.00 34.33 H new ATOM 0 HB2 GLN A 70 8.874 0.770 -3.157 1.00 52.15 H new ATOM 0 HB3 GLN A 70 9.197 2.168 -2.151 1.00 52.15 H new ATOM 0 HG2 GLN A 70 11.188 1.625 -3.413 1.00 42.13 H new ATOM 0 HG3 GLN A 70 11.490 1.325 -1.713 1.00 42.13 H new ATOM 0 HE21 GLN A 70 13.142 -0.166 -2.017 1.00 12.35 H new ATOM 0 HE22 GLN A 70 12.865 -1.771 -2.700 1.00 12.35 H new ATOM 484 N LYS A 71 9.533 1.562 0.960 1.00 72.54 N ATOM 485 CA LYS A 71 10.337 1.925 2.120 1.00 64.24 C ATOM 486 C LYS A 71 9.806 1.252 3.382 1.00 40.41 C ATOM 487 O LYS A 71 10.577 0.773 4.215 1.00 11.31 O ATOM 488 CB LYS A 71 10.348 3.444 2.305 1.00 72.24 C ATOM 489 CG LYS A 71 10.824 4.201 1.077 1.00 5.52 C ATOM 490 CD LYS A 71 12.293 3.936 0.793 1.00 11.41 C ATOM 491 CE LYS A 71 13.193 4.750 1.710 1.00 64.04 C ATOM 492 NZ LYS A 71 14.629 4.389 1.542 1.00 52.03 N ATOM 0 H LYS A 71 8.669 2.096 0.863 1.00 72.54 H new ATOM 0 HA LYS A 71 11.356 1.580 1.946 1.00 64.24 H new ATOM 0 HB2 LYS A 71 9.342 3.778 2.561 1.00 72.24 H new ATOM 0 HB3 LYS A 71 10.991 3.695 3.148 1.00 72.24 H new ATOM 0 HG2 LYS A 71 10.227 3.908 0.214 1.00 5.52 H new ATOM 0 HG3 LYS A 71 10.668 5.270 1.224 1.00 5.52 H new ATOM 0 HD2 LYS A 71 12.504 2.875 0.923 1.00 11.41 H new ATOM 0 HD3 LYS A 71 12.514 4.180 -0.246 1.00 11.41 H new ATOM 0 HE2 LYS A 71 13.059 5.811 1.502 1.00 64.04 H new ATOM 0 HE3 LYS A 71 12.897 4.588 2.746 1.00 64.04 H new ATOM 0 HZ1 LYS A 71 15.209 4.966 2.184 1.00 52.03 H new ATOM 0 HZ2 LYS A 71 14.762 3.382 1.765 1.00 52.03 H new ATOM 0 HZ3 LYS A 71 14.919 4.567 0.559 1.00 52.03 H new ATOM 506 N LEU A 72 8.485 1.218 3.517 1.00 53.12 N ATOM 507 CA LEU A 72 7.849 0.604 4.678 1.00 63.43 C ATOM 508 C LEU A 72 8.054 -0.908 4.672 1.00 20.33 C ATOM 509 O LEU A 72 8.608 -1.473 5.614 1.00 71.51 O ATOM 510 CB LEU A 72 6.354 0.928 4.697 1.00 24.30 C ATOM 511 CG LEU A 72 5.973 2.305 5.242 1.00 70.31 C ATOM 512 CD1 LEU A 72 4.709 2.813 4.569 1.00 72.15 C ATOM 513 CD2 LEU A 72 5.791 2.248 6.751 1.00 13.42 C ATOM 0 H LEU A 72 7.833 1.608 2.837 1.00 53.12 H new ATOM 0 HA LEU A 72 8.313 1.013 5.576 1.00 63.43 H new ATOM 0 HB2 LEU A 72 5.971 0.843 3.680 1.00 24.30 H new ATOM 0 HB3 LEU A 72 5.846 0.170 5.293 1.00 24.30 H new ATOM 0 HG LEU A 72 6.782 3.001 5.020 1.00 70.31 H new ATOM 0 HD11 LEU A 72 4.453 3.794 4.969 1.00 72.15 H new ATOM 0 HD12 LEU A 72 4.875 2.891 3.495 1.00 72.15 H new ATOM 0 HD13 LEU A 72 3.891 2.118 4.760 1.00 72.15 H new ATOM 0 HD21 LEU A 72 5.520 3.236 7.122 1.00 13.42 H new ATOM 0 HD22 LEU A 72 5.000 1.539 6.996 1.00 13.42 H new ATOM 0 HD23 LEU A 72 6.722 1.928 7.218 1.00 13.42 H new ATOM 525 N GLY A 73 7.604 -1.558 3.602 1.00 31.15 N ATOM 526 CA GLY A 73 7.749 -2.998 3.493 1.00 33.04 C ATOM 527 C GLY A 73 6.511 -3.741 3.957 1.00 43.20 C ATOM 528 O GLY A 73 5.391 -3.383 3.595 1.00 12.25 O ATOM 0 H GLY A 73 7.142 -1.113 2.809 1.00 31.15 H new ATOM 0 HA2 GLY A 73 7.960 -3.262 2.457 1.00 33.04 H new ATOM 0 HA3 GLY A 73 8.606 -3.320 4.085 1.00 33.04 H new ATOM 532 N VAL A 74 6.714 -4.782 4.759 1.00 43.50 N ATOM 533 CA VAL A 74 5.606 -5.578 5.272 1.00 32.43 C ATOM 534 C VAL A 74 5.222 -5.143 6.682 1.00 44.43 C ATOM 535 O VAL A 74 4.110 -5.403 7.140 1.00 1.25 O ATOM 536 CB VAL A 74 5.954 -7.079 5.287 1.00 33.24 C ATOM 537 CG1 VAL A 74 4.753 -7.902 5.729 1.00 14.33 C ATOM 538 CG2 VAL A 74 6.443 -7.527 3.919 1.00 55.35 C ATOM 0 H VAL A 74 7.635 -5.093 5.067 1.00 43.50 H new ATOM 0 HA VAL A 74 4.762 -5.414 4.602 1.00 32.43 H new ATOM 0 HB VAL A 74 6.758 -7.240 6.005 1.00 33.24 H new ATOM 0 HG11 VAL A 74 5.018 -8.959 5.733 1.00 14.33 H new ATOM 0 HG12 VAL A 74 4.454 -7.599 6.732 1.00 14.33 H new ATOM 0 HG13 VAL A 74 3.926 -7.738 5.038 1.00 14.33 H new ATOM 0 HG21 VAL A 74 6.684 -8.590 3.949 1.00 55.35 H new ATOM 0 HG22 VAL A 74 5.662 -7.353 3.179 1.00 55.35 H new ATOM 0 HG23 VAL A 74 7.334 -6.960 3.648 1.00 55.35 H new ATOM 548 N GLN A 75 6.149 -4.478 7.362 1.00 5.55 N ATOM 549 CA GLN A 75 5.908 -4.006 8.721 1.00 54.13 C ATOM 550 C GLN A 75 4.832 -2.924 8.738 1.00 4.31 C ATOM 551 O GLN A 75 4.190 -2.689 9.761 1.00 44.10 O ATOM 552 CB GLN A 75 7.201 -3.465 9.334 1.00 21.20 C ATOM 553 CG GLN A 75 8.268 -4.529 9.540 1.00 72.13 C ATOM 554 CD GLN A 75 9.328 -4.106 10.537 1.00 52.01 C ATOM 555 OE1 GLN A 75 9.017 -3.692 11.654 1.00 53.53 O ATOM 556 NE2 GLN A 75 10.591 -4.209 10.139 1.00 74.43 N ATOM 0 H GLN A 75 7.074 -4.253 6.995 1.00 5.55 H new ATOM 0 HA GLN A 75 5.559 -4.851 9.315 1.00 54.13 H new ATOM 0 HB2 GLN A 75 7.600 -2.682 8.688 1.00 21.20 H new ATOM 0 HB3 GLN A 75 6.972 -3.001 10.293 1.00 21.20 H new ATOM 0 HG2 GLN A 75 7.796 -5.449 9.885 1.00 72.13 H new ATOM 0 HG3 GLN A 75 8.742 -4.753 8.584 1.00 72.13 H new ATOM 0 HE21 GLN A 75 10.804 -4.557 9.204 1.00 74.43 H new ATOM 0 HE22 GLN A 75 11.347 -3.940 10.768 1.00 74.43 H new ATOM 565 N ALA A 76 4.642 -2.268 7.598 1.00 71.32 N ATOM 566 CA ALA A 76 3.644 -1.213 7.481 1.00 14.40 C ATOM 567 C ALA A 76 2.283 -1.687 7.977 1.00 33.44 C ATOM 568 O ALA A 76 2.081 -2.877 8.223 1.00 55.04 O ATOM 569 CB ALA A 76 3.545 -0.736 6.039 1.00 3.23 C ATOM 0 H ALA A 76 5.167 -2.449 6.742 1.00 71.32 H new ATOM 0 HA ALA A 76 3.960 -0.379 8.107 1.00 14.40 H new ATOM 0 HB1 ALA A 76 2.795 0.052 5.967 1.00 3.23 H new ATOM 0 HB2 ALA A 76 4.511 -0.348 5.717 1.00 3.23 H new ATOM 0 HB3 ALA A 76 3.257 -1.570 5.399 1.00 3.23 H new ATOM 575 N ASP A 77 1.352 -0.751 8.124 1.00 70.30 N ATOM 576 CA ASP A 77 0.009 -1.074 8.592 1.00 54.31 C ATOM 577 C ASP A 77 -1.037 -0.232 7.866 1.00 23.12 C ATOM 578 O ASP A 77 -0.721 0.813 7.296 1.00 10.44 O ATOM 579 CB ASP A 77 -0.097 -0.851 10.101 1.00 72.42 C ATOM 580 CG ASP A 77 1.195 -1.175 10.826 1.00 71.12 C ATOM 581 OD1 ASP A 77 1.938 -0.230 11.164 1.00 64.24 O ATOM 582 OD2 ASP A 77 1.461 -2.373 11.056 1.00 42.13 O ATOM 0 H ASP A 77 1.503 0.238 7.926 1.00 70.30 H new ATOM 0 HA ASP A 77 -0.181 -2.125 8.374 1.00 54.31 H new ATOM 0 HB2 ASP A 77 -0.368 0.187 10.294 1.00 72.42 H new ATOM 0 HB3 ASP A 77 -0.900 -1.470 10.501 1.00 72.42 H new ATOM 588 N THR A 78 -2.283 -0.694 7.890 1.00 2.43 N ATOM 589 CA THR A 78 -3.374 0.014 7.235 1.00 43.53 C ATOM 590 C THR A 78 -3.416 1.478 7.662 1.00 21.21 C ATOM 591 O THR A 78 -3.838 2.345 6.900 1.00 73.24 O ATOM 592 CB THR A 78 -4.734 -0.638 7.543 1.00 33.15 C ATOM 593 OG1 THR A 78 -4.675 -2.043 7.278 1.00 32.54 O ATOM 594 CG2 THR A 78 -5.839 -0.006 6.711 1.00 40.12 C ATOM 0 H THR A 78 -2.561 -1.557 8.357 1.00 2.43 H new ATOM 0 HA THR A 78 -3.187 -0.044 6.163 1.00 43.53 H new ATOM 0 HB THR A 78 -4.958 -0.477 8.597 1.00 33.15 H new ATOM 0 HG1 THR A 78 -5.544 -2.450 7.478 1.00 32.54 H new ATOM 0 HG21 THR A 78 -6.790 -0.484 6.946 1.00 40.12 H new ATOM 0 HG22 THR A 78 -5.901 1.058 6.937 1.00 40.12 H new ATOM 0 HG23 THR A 78 -5.618 -0.139 5.652 1.00 40.12 H new ATOM 602 N ASN A 79 -2.974 1.744 8.887 1.00 44.02 N ATOM 603 CA ASN A 79 -2.960 3.103 9.417 1.00 71.42 C ATOM 604 C ASN A 79 -1.751 3.876 8.900 1.00 53.35 C ATOM 605 O ASN A 79 -1.887 4.972 8.353 1.00 75.35 O ATOM 606 CB ASN A 79 -2.947 3.076 10.946 1.00 21.31 C ATOM 607 CG ASN A 79 -3.772 1.937 11.512 1.00 33.23 C ATOM 608 OD1 ASN A 79 -3.297 0.807 11.623 1.00 31.14 O ATOM 609 ND2 ASN A 79 -5.017 2.230 11.872 1.00 51.15 N ATOM 0 H ASN A 79 -2.621 1.037 9.531 1.00 44.02 H new ATOM 0 HA ASN A 79 -3.864 3.608 9.077 1.00 71.42 H new ATOM 0 HB2 ASN A 79 -1.919 2.985 11.296 1.00 21.31 H new ATOM 0 HB3 ASN A 79 -3.331 4.023 11.326 1.00 21.31 H new ATOM 0 HD21 ASN A 79 -5.620 1.504 12.258 1.00 51.15 H new ATOM 0 HD22 ASN A 79 -5.369 3.181 11.762 1.00 51.15 H new ATOM 616 N THR A 80 -0.567 3.299 9.075 1.00 24.41 N ATOM 617 CA THR A 80 0.667 3.933 8.628 1.00 42.14 C ATOM 618 C THR A 80 0.571 4.349 7.165 1.00 44.42 C ATOM 619 O THR A 80 0.932 5.470 6.803 1.00 14.03 O ATOM 620 CB THR A 80 1.877 2.997 8.805 1.00 72.44 C ATOM 621 OG1 THR A 80 2.021 2.637 10.184 1.00 53.24 O ATOM 622 CG2 THR A 80 3.153 3.662 8.313 1.00 63.12 C ATOM 0 H THR A 80 -0.436 2.392 9.524 1.00 24.41 H new ATOM 0 HA THR A 80 0.810 4.819 9.247 1.00 42.14 H new ATOM 0 HB THR A 80 1.703 2.099 8.212 1.00 72.44 H new ATOM 0 HG1 THR A 80 1.945 1.664 10.278 1.00 53.24 H new ATOM 0 HG21 THR A 80 3.994 2.981 8.448 1.00 63.12 H new ATOM 0 HG22 THR A 80 3.051 3.907 7.256 1.00 63.12 H new ATOM 0 HG23 THR A 80 3.330 4.575 8.882 1.00 63.12 H new ATOM 630 N VAL A 81 0.083 3.441 6.326 1.00 40.10 N ATOM 631 CA VAL A 81 -0.062 3.715 4.902 1.00 50.24 C ATOM 632 C VAL A 81 -0.819 5.018 4.667 1.00 12.20 C ATOM 633 O VAL A 81 -0.340 5.910 3.965 1.00 75.55 O ATOM 634 CB VAL A 81 -0.797 2.570 4.181 1.00 32.51 C ATOM 635 CG1 VAL A 81 -0.839 2.822 2.682 1.00 64.42 C ATOM 636 CG2 VAL A 81 -0.134 1.235 4.488 1.00 1.20 C ATOM 0 H VAL A 81 -0.219 2.509 6.609 1.00 40.10 H new ATOM 0 HA VAL A 81 0.945 3.804 4.493 1.00 50.24 H new ATOM 0 HB VAL A 81 -1.823 2.533 4.547 1.00 32.51 H new ATOM 0 HG11 VAL A 81 -1.362 2.002 2.190 1.00 64.42 H new ATOM 0 HG12 VAL A 81 -1.363 3.757 2.485 1.00 64.42 H new ATOM 0 HG13 VAL A 81 0.178 2.887 2.295 1.00 64.42 H new ATOM 0 HG21 VAL A 81 -0.666 0.437 3.970 1.00 1.20 H new ATOM 0 HG22 VAL A 81 0.903 1.258 4.151 1.00 1.20 H new ATOM 0 HG23 VAL A 81 -0.163 1.053 5.562 1.00 1.20 H new ATOM 646 N LEU A 82 -2.003 5.121 5.259 1.00 73.14 N ATOM 647 CA LEU A 82 -2.829 6.316 5.115 1.00 43.21 C ATOM 648 C LEU A 82 -2.047 7.567 5.502 1.00 52.42 C ATOM 649 O LEU A 82 -2.001 8.540 4.750 1.00 60.25 O ATOM 650 CB LEU A 82 -4.085 6.198 5.979 1.00 52.43 C ATOM 651 CG LEU A 82 -4.967 4.977 5.718 1.00 32.02 C ATOM 652 CD1 LEU A 82 -5.701 4.567 6.986 1.00 24.15 C ATOM 653 CD2 LEU A 82 -5.957 5.262 4.598 1.00 62.11 C ATOM 0 H LEU A 82 -2.413 4.392 5.843 1.00 73.14 H new ATOM 0 HA LEU A 82 -3.122 6.402 4.069 1.00 43.21 H new ATOM 0 HB2 LEU A 82 -3.782 6.185 7.026 1.00 52.43 H new ATOM 0 HB3 LEU A 82 -4.688 7.094 5.833 1.00 52.43 H new ATOM 0 HG LEU A 82 -4.326 4.151 5.409 1.00 32.02 H new ATOM 0 HD11 LEU A 82 -6.324 3.696 6.781 1.00 24.15 H new ATOM 0 HD12 LEU A 82 -4.977 4.320 7.762 1.00 24.15 H new ATOM 0 HD13 LEU A 82 -6.329 5.391 7.325 1.00 24.15 H new ATOM 0 HD21 LEU A 82 -6.576 4.381 4.427 1.00 62.11 H new ATOM 0 HD22 LEU A 82 -6.592 6.103 4.879 1.00 62.11 H new ATOM 0 HD23 LEU A 82 -5.413 5.507 3.685 1.00 62.11 H new ATOM 665 N GLY A 83 -1.431 7.535 6.679 1.00 34.42 N ATOM 666 CA GLY A 83 -0.658 8.671 7.145 1.00 62.52 C ATOM 667 C GLY A 83 0.403 9.097 6.149 1.00 61.31 C ATOM 668 O GLY A 83 0.590 10.287 5.905 1.00 41.34 O ATOM 0 H GLY A 83 -1.454 6.741 7.319 1.00 34.42 H new ATOM 0 HA2 GLY A 83 -1.328 9.509 7.338 1.00 62.52 H new ATOM 0 HA3 GLY A 83 -0.182 8.419 8.093 1.00 62.52 H new ATOM 672 N GLU A 84 1.099 8.120 5.575 1.00 43.04 N ATOM 673 CA GLU A 84 2.148 8.401 4.603 1.00 42.12 C ATOM 674 C GLU A 84 1.614 9.257 3.458 1.00 41.41 C ATOM 675 O GLU A 84 2.306 10.145 2.956 1.00 60.13 O ATOM 676 CB GLU A 84 2.727 7.097 4.052 1.00 70.42 C ATOM 677 CG GLU A 84 3.469 6.273 5.090 1.00 20.41 C ATOM 678 CD GLU A 84 4.930 6.661 5.208 1.00 31.41 C ATOM 679 OE1 GLU A 84 5.789 5.756 5.152 1.00 24.14 O ATOM 680 OE2 GLU A 84 5.214 7.867 5.357 1.00 42.43 O ATOM 0 H GLU A 84 0.955 7.129 5.766 1.00 43.04 H new ATOM 0 HA GLU A 84 2.938 8.955 5.110 1.00 42.12 H new ATOM 0 HB2 GLU A 84 1.917 6.497 3.636 1.00 70.42 H new ATOM 0 HB3 GLU A 84 3.406 7.329 3.232 1.00 70.42 H new ATOM 0 HG2 GLU A 84 2.985 6.395 6.059 1.00 20.41 H new ATOM 0 HG3 GLU A 84 3.397 5.217 4.829 1.00 20.41 H new ATOM 688 N LEU A 85 0.380 8.985 3.049 1.00 1.32 N ATOM 689 CA LEU A 85 -0.248 9.729 1.964 1.00 53.05 C ATOM 690 C LEU A 85 -0.833 11.043 2.470 1.00 33.43 C ATOM 691 O LEU A 85 -0.929 12.020 1.728 1.00 53.22 O ATOM 692 CB LEU A 85 -1.345 8.888 1.309 1.00 31.45 C ATOM 693 CG LEU A 85 -0.977 7.439 0.988 1.00 73.45 C ATOM 694 CD1 LEU A 85 -2.228 6.619 0.709 1.00 40.32 C ATOM 695 CD2 LEU A 85 -0.026 7.382 -0.198 1.00 63.44 C ATOM 0 H LEU A 85 -0.206 8.254 3.453 1.00 1.32 H new ATOM 0 HA LEU A 85 0.518 9.956 1.223 1.00 53.05 H new ATOM 0 HB2 LEU A 85 -2.214 8.884 1.967 1.00 31.45 H new ATOM 0 HB3 LEU A 85 -1.648 9.379 0.384 1.00 31.45 H new ATOM 0 HG LEU A 85 -0.473 7.012 1.855 1.00 73.45 H new ATOM 0 HD11 LEU A 85 -1.946 5.591 0.483 1.00 40.32 H new ATOM 0 HD12 LEU A 85 -2.875 6.633 1.586 1.00 40.32 H new ATOM 0 HD13 LEU A 85 -2.760 7.045 -0.142 1.00 40.32 H new ATOM 0 HD21 LEU A 85 0.226 6.343 -0.413 1.00 63.44 H new ATOM 0 HD22 LEU A 85 -0.505 7.827 -1.070 1.00 63.44 H new ATOM 0 HD23 LEU A 85 0.884 7.934 0.038 1.00 63.44 H new ATOM 707 N VAL A 86 -1.222 11.060 3.741 1.00 13.25 N ATOM 708 CA VAL A 86 -1.795 12.255 4.350 1.00 60.43 C ATOM 709 C VAL A 86 -0.738 13.337 4.537 1.00 3.32 C ATOM 710 O VAL A 86 -1.013 14.526 4.375 1.00 12.00 O ATOM 711 CB VAL A 86 -2.436 11.938 5.714 1.00 42.21 C ATOM 712 CG1 VAL A 86 -3.000 13.202 6.345 1.00 25.54 C ATOM 713 CG2 VAL A 86 -3.518 10.880 5.560 1.00 55.01 C ATOM 0 H VAL A 86 -1.151 10.260 4.369 1.00 13.25 H new ATOM 0 HA VAL A 86 -2.566 12.618 3.670 1.00 60.43 H new ATOM 0 HB VAL A 86 -1.665 11.543 6.376 1.00 42.21 H new ATOM 0 HG11 VAL A 86 -3.449 12.959 7.308 1.00 25.54 H new ATOM 0 HG12 VAL A 86 -2.198 13.925 6.491 1.00 25.54 H new ATOM 0 HG13 VAL A 86 -3.758 13.629 5.689 1.00 25.54 H new ATOM 0 HG21 VAL A 86 -3.961 10.668 6.533 1.00 55.01 H new ATOM 0 HG22 VAL A 86 -4.290 11.245 4.882 1.00 55.01 H new ATOM 0 HG23 VAL A 86 -3.080 9.968 5.154 1.00 55.01 H new