USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 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+ -134:sc= 0.206 (180deg=-0.945) 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= 0.0904 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 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= -0.162 (180deg=-1.05) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 80 THR OG1 : rot 171:sc= 0.0273 USER MOD ----------------------------------------------------------------- ATOM 151 N LYS A 51 -2.056 -5.238 -0.976 1.00 2.01 N ATOM 152 CA LYS A 51 -1.734 -4.044 -0.204 1.00 2.41 C ATOM 153 C LYS A 51 -1.677 -2.813 -1.103 1.00 61.51 C ATOM 154 O LYS A 51 -2.232 -1.765 -0.773 1.00 61.21 O ATOM 155 CB LYS A 51 -0.396 -4.224 0.518 1.00 64.11 C ATOM 156 CG LYS A 51 -0.536 -4.748 1.937 1.00 62.04 C ATOM 157 CD LYS A 51 0.634 -4.319 2.807 1.00 52.11 C ATOM 158 CE LYS A 51 0.496 -4.849 4.226 1.00 13.21 C ATOM 159 NZ LYS A 51 1.294 -4.049 5.196 1.00 31.34 N ATOM 0 HA LYS A 51 -2.522 -3.896 0.535 1.00 2.41 H new ATOM 0 HB2 LYS A 51 0.227 -4.912 -0.054 1.00 64.11 H new ATOM 0 HB3 LYS A 51 0.126 -3.267 0.543 1.00 64.11 H new ATOM 0 HG2 LYS A 51 -1.467 -4.382 2.371 1.00 62.04 H new ATOM 0 HG3 LYS A 51 -0.598 -5.836 1.920 1.00 62.04 H new ATOM 0 HD2 LYS A 51 1.565 -4.681 2.371 1.00 52.11 H new ATOM 0 HD3 LYS A 51 0.694 -3.231 2.828 1.00 52.11 H new ATOM 0 HE2 LYS A 51 -0.554 -4.834 4.519 1.00 13.21 H new ATOM 0 HE3 LYS A 51 0.821 -5.889 4.259 1.00 13.21 H new ATOM 0 HZ1 LYS A 51 1.174 -4.441 6.152 1.00 31.34 H new ATOM 0 HZ2 LYS A 51 2.299 -4.084 4.931 1.00 31.34 H new ATOM 0 HZ3 LYS A 51 0.967 -3.062 5.184 1.00 31.34 H new ATOM 173 N VAL A 52 -1.003 -2.949 -2.241 1.00 0.32 N ATOM 174 CA VAL A 52 -0.876 -1.849 -3.189 1.00 55.44 C ATOM 175 C VAL A 52 -2.107 -1.750 -4.085 1.00 4.13 C ATOM 176 O VAL A 52 -2.681 -0.674 -4.252 1.00 22.33 O ATOM 177 CB VAL A 52 0.376 -2.009 -4.071 1.00 72.11 C ATOM 178 CG1 VAL A 52 0.608 -0.757 -4.903 1.00 3.31 C ATOM 179 CG2 VAL A 52 1.594 -2.323 -3.215 1.00 73.23 C ATOM 0 H VAL A 52 -0.537 -3.810 -2.528 1.00 0.32 H new ATOM 0 HA VAL A 52 -0.783 -0.935 -2.602 1.00 55.44 H new ATOM 0 HB VAL A 52 0.214 -2.844 -4.753 1.00 72.11 H new ATOM 0 HG11 VAL A 52 1.497 -0.889 -5.520 1.00 3.31 H new ATOM 0 HG12 VAL A 52 -0.256 -0.581 -5.545 1.00 3.31 H new ATOM 0 HG13 VAL A 52 0.749 0.098 -4.242 1.00 3.31 H new ATOM 0 HG21 VAL A 52 2.470 -2.433 -3.855 1.00 73.23 H new ATOM 0 HG22 VAL A 52 1.761 -1.511 -2.508 1.00 73.23 H new ATOM 0 HG23 VAL A 52 1.425 -3.251 -2.669 1.00 73.23 H new ATOM 189 N ASP A 53 -2.505 -2.879 -4.660 1.00 23.14 N ATOM 190 CA ASP A 53 -3.668 -2.922 -5.538 1.00 30.23 C ATOM 191 C ASP A 53 -4.881 -2.289 -4.863 1.00 70.53 C ATOM 192 O ASP A 53 -5.754 -1.732 -5.529 1.00 0.31 O ATOM 193 CB ASP A 53 -3.984 -4.365 -5.932 1.00 24.42 C ATOM 194 CG ASP A 53 -4.967 -4.449 -7.083 1.00 61.34 C ATOM 195 OD1 ASP A 53 -6.171 -4.650 -6.821 1.00 74.45 O ATOM 196 OD2 ASP A 53 -4.531 -4.313 -8.246 1.00 31.10 O ATOM 0 H ASP A 53 -2.039 -3.777 -4.534 1.00 23.14 H new ATOM 0 HA ASP A 53 -3.435 -2.351 -6.437 1.00 30.23 H new ATOM 0 HB2 ASP A 53 -3.060 -4.873 -6.209 1.00 24.42 H new ATOM 0 HB3 ASP A 53 -4.392 -4.893 -5.070 1.00 24.42 H new ATOM 202 N PHE A 54 -4.931 -2.381 -3.538 1.00 24.11 N ATOM 203 CA PHE A 54 -6.037 -1.820 -2.773 1.00 53.35 C ATOM 204 C PHE A 54 -6.099 -0.304 -2.938 1.00 40.22 C ATOM 205 O PHE A 54 -6.983 0.223 -3.614 1.00 53.20 O ATOM 206 CB PHE A 54 -5.896 -2.177 -1.292 1.00 44.44 C ATOM 207 CG PHE A 54 -7.028 -1.675 -0.443 1.00 12.14 C ATOM 208 CD1 PHE A 54 -6.986 -0.405 0.109 1.00 14.22 C ATOM 209 CD2 PHE A 54 -8.134 -2.472 -0.197 1.00 73.24 C ATOM 210 CE1 PHE A 54 -8.027 0.059 0.892 1.00 1.51 C ATOM 211 CE2 PHE A 54 -9.177 -2.014 0.584 1.00 53.54 C ATOM 212 CZ PHE A 54 -9.124 -0.746 1.128 1.00 31.10 C ATOM 0 H PHE A 54 -4.217 -2.840 -2.972 1.00 24.11 H new ATOM 0 HA PHE A 54 -6.963 -2.248 -3.156 1.00 53.35 H new ATOM 0 HB2 PHE A 54 -5.831 -3.260 -1.193 1.00 44.44 H new ATOM 0 HB3 PHE A 54 -4.960 -1.765 -0.915 1.00 44.44 H new ATOM 0 HD1 PHE A 54 -6.131 0.229 -0.074 1.00 14.22 H new ATOM 0 HD2 PHE A 54 -8.181 -3.464 -0.621 1.00 73.24 H new ATOM 0 HE1 PHE A 54 -7.982 1.050 1.319 1.00 1.51 H new ATOM 0 HE2 PHE A 54 -10.033 -2.647 0.769 1.00 53.54 H new ATOM 0 HZ PHE A 54 -9.939 -0.384 1.737 1.00 31.10 H new ATOM 222 N PHE A 55 -5.154 0.393 -2.315 1.00 22.20 N ATOM 223 CA PHE A 55 -5.101 1.847 -2.391 1.00 3.31 C ATOM 224 C PHE A 55 -5.066 2.316 -3.843 1.00 73.24 C ATOM 225 O PHE A 55 -5.480 3.432 -4.157 1.00 0.31 O ATOM 226 CB PHE A 55 -3.874 2.373 -1.645 1.00 12.52 C ATOM 227 CG PHE A 55 -4.078 2.488 -0.161 1.00 23.42 C ATOM 228 CD1 PHE A 55 -4.791 3.548 0.374 1.00 75.53 C ATOM 229 CD2 PHE A 55 -3.555 1.535 0.699 1.00 53.12 C ATOM 230 CE1 PHE A 55 -4.981 3.655 1.739 1.00 55.41 C ATOM 231 CE2 PHE A 55 -3.743 1.637 2.064 1.00 23.00 C ATOM 232 CZ PHE A 55 -4.455 2.700 2.585 1.00 33.43 C ATOM 0 H PHE A 55 -4.414 -0.027 -1.752 1.00 22.20 H new ATOM 0 HA PHE A 55 -6.002 2.243 -1.921 1.00 3.31 H new ATOM 0 HB2 PHE A 55 -3.030 1.710 -1.837 1.00 12.52 H new ATOM 0 HB3 PHE A 55 -3.608 3.352 -2.044 1.00 12.52 H new ATOM 0 HD1 PHE A 55 -5.203 4.300 -0.283 1.00 75.53 H new ATOM 0 HD2 PHE A 55 -2.994 0.704 0.298 1.00 53.12 H new ATOM 0 HE1 PHE A 55 -5.541 4.485 2.143 1.00 55.41 H new ATOM 0 HE2 PHE A 55 -3.334 0.886 2.723 1.00 23.00 H new ATOM 0 HZ PHE A 55 -4.600 2.783 3.652 1.00 33.43 H new ATOM 242 N ARG A 56 -4.569 1.454 -4.724 1.00 72.31 N ATOM 243 CA ARG A 56 -4.478 1.779 -6.143 1.00 13.25 C ATOM 244 C ARG A 56 -5.859 2.078 -6.722 1.00 3.10 C ATOM 245 O ARG A 56 -5.987 2.811 -7.702 1.00 63.35 O ATOM 246 CB ARG A 56 -3.830 0.626 -6.912 1.00 3.42 C ATOM 247 CG ARG A 56 -2.312 0.619 -6.831 1.00 74.23 C ATOM 248 CD ARG A 56 -1.683 1.131 -8.118 1.00 14.51 C ATOM 249 NE ARG A 56 -2.012 0.286 -9.263 1.00 1.45 N ATOM 250 CZ ARG A 56 -1.938 0.696 -10.524 1.00 24.22 C ATOM 251 NH1 ARG A 56 -1.548 1.933 -10.801 1.00 62.31 N ATOM 252 NH2 ARG A 56 -2.253 -0.133 -11.511 1.00 1.12 N ATOM 0 H ARG A 56 -4.223 0.526 -4.481 1.00 72.31 H new ATOM 0 HA ARG A 56 -3.858 2.670 -6.247 1.00 13.25 H new ATOM 0 HB2 ARG A 56 -4.211 -0.319 -6.523 1.00 3.42 H new ATOM 0 HB3 ARG A 56 -4.130 0.684 -7.958 1.00 3.42 H new ATOM 0 HG2 ARG A 56 -1.988 1.239 -5.995 1.00 74.23 H new ATOM 0 HG3 ARG A 56 -1.962 -0.394 -6.631 1.00 74.23 H new ATOM 0 HD2 ARG A 56 -2.025 2.148 -8.308 1.00 14.51 H new ATOM 0 HD3 ARG A 56 -0.600 1.175 -8.000 1.00 14.51 H new ATOM 0 HE ARG A 56 -2.315 -0.671 -9.084 1.00 1.45 H new ATOM 0 HH11 ARG A 56 -1.304 2.572 -10.045 1.00 62.31 H new ATOM 0 HH12 ARG A 56 -1.492 2.245 -11.770 1.00 62.31 H new ATOM 0 HH21 ARG A 56 -2.552 -1.085 -11.301 1.00 1.12 H new ATOM 0 HH22 ARG A 56 -2.196 0.182 -12.479 1.00 1.12 H new ATOM 266 N LYS A 57 -6.888 1.506 -6.108 1.00 62.30 N ATOM 267 CA LYS A 57 -8.259 1.710 -6.561 1.00 30.05 C ATOM 268 C LYS A 57 -8.922 2.848 -5.791 1.00 44.54 C ATOM 269 O LYS A 57 -9.890 3.447 -6.261 1.00 12.30 O ATOM 270 CB LYS A 57 -9.072 0.424 -6.390 1.00 23.20 C ATOM 271 CG LYS A 57 -9.656 0.254 -4.998 1.00 50.10 C ATOM 272 CD LYS A 57 -9.650 -1.202 -4.564 1.00 14.20 C ATOM 273 CE LYS A 57 -10.702 -1.471 -3.499 1.00 41.24 C ATOM 274 NZ LYS A 57 -10.379 -0.788 -2.216 1.00 32.30 N ATOM 0 H LYS A 57 -6.799 0.897 -5.295 1.00 62.30 H new ATOM 0 HA LYS A 57 -8.230 1.977 -7.617 1.00 30.05 H new ATOM 0 HB2 LYS A 57 -9.883 0.417 -7.118 1.00 23.20 H new ATOM 0 HB3 LYS A 57 -8.435 -0.431 -6.614 1.00 23.20 H new ATOM 0 HG2 LYS A 57 -9.083 0.849 -4.287 1.00 50.10 H new ATOM 0 HG3 LYS A 57 -10.677 0.635 -4.982 1.00 50.10 H new ATOM 0 HD2 LYS A 57 -9.834 -1.841 -5.428 1.00 14.20 H new ATOM 0 HD3 LYS A 57 -8.665 -1.464 -4.178 1.00 14.20 H new ATOM 0 HE2 LYS A 57 -11.675 -1.133 -3.856 1.00 41.24 H new ATOM 0 HE3 LYS A 57 -10.781 -2.545 -3.329 1.00 41.24 H new ATOM 0 HZ1 LYS A 57 -10.511 -1.452 -1.427 1.00 32.30 H new ATOM 0 HZ2 LYS A 57 -9.391 -0.463 -2.235 1.00 32.30 H new ATOM 0 HZ3 LYS A 57 -11.010 0.029 -2.090 1.00 32.30 H new ATOM 288 N LEU A 58 -8.394 3.143 -4.608 1.00 21.42 N ATOM 289 CA LEU A 58 -8.934 4.210 -3.774 1.00 14.24 C ATOM 290 C LEU A 58 -8.860 5.553 -4.494 1.00 53.23 C ATOM 291 O LEU A 58 -9.569 6.496 -4.146 1.00 32.44 O ATOM 292 CB LEU A 58 -8.172 4.285 -2.450 1.00 45.34 C ATOM 293 CG LEU A 58 -8.778 3.509 -1.281 1.00 62.04 C ATOM 294 CD1 LEU A 58 -10.139 4.078 -0.911 1.00 21.24 C ATOM 295 CD2 LEU A 58 -8.891 2.031 -1.624 1.00 24.42 C ATOM 0 H LEU A 58 -7.592 2.658 -4.205 1.00 21.42 H new ATOM 0 HA LEU A 58 -9.981 3.985 -3.570 1.00 14.24 H new ATOM 0 HB2 LEU A 58 -7.159 3.919 -2.616 1.00 45.34 H new ATOM 0 HB3 LEU A 58 -8.089 5.333 -2.160 1.00 45.34 H new ATOM 0 HG LEU A 58 -8.118 3.612 -0.420 1.00 62.04 H new ATOM 0 HD11 LEU A 58 -10.555 3.513 -0.077 1.00 21.24 H new ATOM 0 HD12 LEU A 58 -10.030 5.123 -0.623 1.00 21.24 H new ATOM 0 HD13 LEU A 58 -10.809 4.006 -1.768 1.00 21.24 H new ATOM 0 HD21 LEU A 58 -9.324 1.494 -0.780 1.00 24.42 H new ATOM 0 HD22 LEU A 58 -9.529 1.908 -2.499 1.00 24.42 H new ATOM 0 HD23 LEU A 58 -7.900 1.631 -1.839 1.00 24.42 H new ATOM 307 N GLY A 59 -7.997 5.632 -5.502 1.00 25.21 N ATOM 308 CA GLY A 59 -7.847 6.862 -6.256 1.00 42.25 C ATOM 309 C GLY A 59 -6.469 7.474 -6.101 1.00 42.23 C ATOM 310 O GLY A 59 -6.276 8.663 -6.360 1.00 73.12 O ATOM 0 H GLY A 59 -7.399 4.865 -5.810 1.00 25.21 H new ATOM 0 HA2 GLY A 59 -8.036 6.663 -7.311 1.00 42.25 H new ATOM 0 HA3 GLY A 59 -8.599 7.580 -5.927 1.00 42.25 H new ATOM 314 N TYR A 60 -5.508 6.662 -5.677 1.00 42.05 N ATOM 315 CA TYR A 60 -4.140 7.130 -5.484 1.00 14.13 C ATOM 316 C TYR A 60 -3.272 6.791 -6.691 1.00 64.51 C ATOM 317 O TYR A 60 -3.752 6.233 -7.678 1.00 21.34 O ATOM 318 CB TYR A 60 -3.541 6.513 -4.220 1.00 22.15 C ATOM 319 CG TYR A 60 -4.002 7.178 -2.943 1.00 13.24 C ATOM 320 CD1 TYR A 60 -3.553 8.447 -2.596 1.00 3.22 C ATOM 321 CD2 TYR A 60 -4.886 6.539 -2.083 1.00 34.13 C ATOM 322 CE1 TYR A 60 -3.971 9.059 -1.431 1.00 25.13 C ATOM 323 CE2 TYR A 60 -5.311 7.144 -0.915 1.00 63.32 C ATOM 324 CZ TYR A 60 -4.850 8.404 -0.593 1.00 63.33 C ATOM 325 OH TYR A 60 -5.270 9.008 0.569 1.00 42.54 O ATOM 0 H TYR A 60 -5.650 5.676 -5.460 1.00 42.05 H new ATOM 0 HA TYR A 60 -4.167 8.214 -5.373 1.00 14.13 H new ATOM 0 HB2 TYR A 60 -3.802 5.455 -4.183 1.00 22.15 H new ATOM 0 HB3 TYR A 60 -2.454 6.571 -4.278 1.00 22.15 H new ATOM 0 HD1 TYR A 60 -2.865 8.963 -3.249 1.00 3.22 H new ATOM 0 HD2 TYR A 60 -5.248 5.552 -2.331 1.00 34.13 H new ATOM 0 HE1 TYR A 60 -3.612 10.045 -1.177 1.00 25.13 H new ATOM 0 HE2 TYR A 60 -6.000 6.633 -0.258 1.00 63.32 H new ATOM 0 HH TYR A 60 -5.887 8.412 1.043 1.00 42.54 H new ATOM 335 N SER A 61 -1.990 7.130 -6.604 1.00 42.31 N ATOM 336 CA SER A 61 -1.053 6.864 -7.689 1.00 40.23 C ATOM 337 C SER A 61 -0.137 5.695 -7.341 1.00 62.05 C ATOM 338 O SER A 61 0.327 5.571 -6.207 1.00 43.45 O ATOM 339 CB SER A 61 -0.218 8.111 -7.988 1.00 31.43 C ATOM 340 OG SER A 61 -0.796 8.873 -9.033 1.00 53.33 O ATOM 0 H SER A 61 -1.576 7.590 -5.793 1.00 42.31 H new ATOM 0 HA SER A 61 -1.628 6.600 -8.576 1.00 40.23 H new ATOM 0 HB2 SER A 61 -0.137 8.723 -7.089 1.00 31.43 H new ATOM 0 HB3 SER A 61 0.794 7.817 -8.265 1.00 31.43 H new ATOM 0 HG SER A 61 -0.245 9.665 -9.204 1.00 53.33 H new ATOM 346 N SER A 62 0.121 4.839 -8.326 1.00 43.42 N ATOM 347 CA SER A 62 0.979 3.678 -8.125 1.00 21.33 C ATOM 348 C SER A 62 2.349 4.098 -7.599 1.00 54.33 C ATOM 349 O SER A 62 2.893 3.478 -6.686 1.00 73.02 O ATOM 350 CB SER A 62 1.139 2.902 -9.433 1.00 51.04 C ATOM 351 OG SER A 62 0.739 3.688 -10.543 1.00 64.21 O ATOM 0 H SER A 62 -0.252 4.929 -9.271 1.00 43.42 H new ATOM 0 HA SER A 62 0.507 3.033 -7.384 1.00 21.33 H new ATOM 0 HB2 SER A 62 2.179 2.598 -9.554 1.00 51.04 H new ATOM 0 HB3 SER A 62 0.542 1.991 -9.394 1.00 51.04 H new ATOM 0 HG SER A 62 0.852 3.171 -11.368 1.00 64.21 H new ATOM 357 N SER A 63 2.899 5.158 -8.184 1.00 23.53 N ATOM 358 CA SER A 63 4.207 5.660 -7.779 1.00 12.32 C ATOM 359 C SER A 63 4.198 6.074 -6.311 1.00 3.53 C ATOM 360 O SER A 63 5.242 6.109 -5.658 1.00 73.34 O ATOM 361 CB SER A 63 4.614 6.848 -8.652 1.00 53.14 C ATOM 362 OG SER A 63 4.864 6.438 -9.986 1.00 13.23 O ATOM 0 H SER A 63 2.460 5.685 -8.939 1.00 23.53 H new ATOM 0 HA SER A 63 4.933 4.857 -7.909 1.00 12.32 H new ATOM 0 HB2 SER A 63 3.824 7.599 -8.641 1.00 53.14 H new ATOM 0 HB3 SER A 63 5.507 7.318 -8.239 1.00 53.14 H new ATOM 0 HG SER A 63 5.121 7.215 -10.525 1.00 13.23 H new ATOM 368 N GLU A 64 3.013 6.388 -5.797 1.00 40.04 N ATOM 369 CA GLU A 64 2.869 6.801 -4.406 1.00 1.21 C ATOM 370 C GLU A 64 2.758 5.587 -3.487 1.00 11.32 C ATOM 371 O GLU A 64 3.552 5.424 -2.560 1.00 72.45 O ATOM 372 CB GLU A 64 1.637 7.693 -4.241 1.00 20.31 C ATOM 373 CG GLU A 64 1.738 9.014 -4.984 1.00 42.42 C ATOM 374 CD GLU A 64 2.157 10.160 -4.083 1.00 72.01 C ATOM 375 OE1 GLU A 64 3.268 10.094 -3.518 1.00 24.15 O ATOM 376 OE2 GLU A 64 1.374 11.123 -3.943 1.00 35.50 O ATOM 0 H GLU A 64 2.139 6.364 -6.323 1.00 40.04 H new ATOM 0 HA GLU A 64 3.758 7.366 -4.127 1.00 1.21 H new ATOM 0 HB2 GLU A 64 0.758 7.153 -4.594 1.00 20.31 H new ATOM 0 HB3 GLU A 64 1.483 7.893 -3.181 1.00 20.31 H new ATOM 0 HG2 GLU A 64 2.457 8.915 -5.797 1.00 42.42 H new ATOM 0 HG3 GLU A 64 0.774 9.246 -5.437 1.00 42.42 H new ATOM 384 N ILE A 65 1.769 4.741 -3.751 1.00 32.01 N ATOM 385 CA ILE A 65 1.554 3.543 -2.950 1.00 3.55 C ATOM 386 C ILE A 65 2.769 2.622 -3.001 1.00 14.01 C ATOM 387 O ILE A 65 3.070 1.918 -2.036 1.00 50.43 O ATOM 388 CB ILE A 65 0.313 2.764 -3.421 1.00 74.12 C ATOM 389 CG1 ILE A 65 -0.935 3.645 -3.330 1.00 52.31 C ATOM 390 CG2 ILE A 65 0.135 1.498 -2.595 1.00 42.34 C ATOM 391 CD1 ILE A 65 -2.047 3.217 -4.262 1.00 42.33 C ATOM 0 H ILE A 65 1.103 4.863 -4.514 1.00 32.01 H new ATOM 0 HA ILE A 65 1.395 3.875 -1.924 1.00 3.55 H new ATOM 0 HB ILE A 65 0.458 2.477 -4.463 1.00 74.12 H new ATOM 0 HG12 ILE A 65 -1.306 3.631 -2.305 1.00 52.31 H new ATOM 0 HG13 ILE A 65 -0.660 4.675 -3.555 1.00 52.31 H new ATOM 0 HG21 ILE A 65 -0.747 0.959 -2.941 1.00 42.34 H new ATOM 0 HG22 ILE A 65 1.015 0.864 -2.706 1.00 42.34 H new ATOM 0 HG23 ILE A 65 0.010 1.763 -1.545 1.00 42.34 H new ATOM 0 HD11 ILE A 65 -2.899 3.886 -4.143 1.00 42.33 H new ATOM 0 HD12 ILE A 65 -1.694 3.258 -5.292 1.00 42.33 H new ATOM 0 HD13 ILE A 65 -2.350 2.198 -4.023 1.00 42.33 H new ATOM 403 N HIS A 66 3.464 2.633 -4.134 1.00 73.44 N ATOM 404 CA HIS A 66 4.649 1.800 -4.311 1.00 73.42 C ATOM 405 C HIS A 66 5.866 2.437 -3.649 1.00 14.41 C ATOM 406 O HIS A 66 6.818 1.748 -3.284 1.00 53.53 O ATOM 407 CB HIS A 66 4.921 1.575 -5.799 1.00 3.34 C ATOM 408 CG HIS A 66 5.723 0.342 -6.082 1.00 35.41 C ATOM 409 ND1 HIS A 66 7.013 0.376 -6.563 1.00 44.25 N ATOM 410 CD2 HIS A 66 5.408 -0.969 -5.946 1.00 42.42 C ATOM 411 CE1 HIS A 66 7.459 -0.859 -6.713 1.00 52.53 C ATOM 412 NE2 HIS A 66 6.503 -1.693 -6.345 1.00 42.12 N ATOM 0 H HIS A 66 3.228 3.208 -4.942 1.00 73.44 H new ATOM 0 HA HIS A 66 4.462 0.838 -3.834 1.00 73.42 H new ATOM 0 HB2 HIS A 66 3.970 1.509 -6.328 1.00 3.34 H new ATOM 0 HB3 HIS A 66 5.449 2.441 -6.198 1.00 3.34 H new ATOM 0 HD2 HIS A 66 4.470 -1.369 -5.590 1.00 42.42 H new ATOM 0 HE1 HIS A 66 8.438 -1.139 -7.075 1.00 52.53 H new ATOM 0 HE2 HIS A 66 6.568 -2.711 -6.356 1.00 42.12 H new ATOM 421 N SER A 67 5.827 3.758 -3.498 1.00 24.42 N ATOM 422 CA SER A 67 6.929 4.489 -2.884 1.00 11.11 C ATOM 423 C SER A 67 6.908 4.329 -1.366 1.00 41.34 C ATOM 424 O SER A 67 7.948 4.139 -0.736 1.00 2.11 O ATOM 425 CB SER A 67 6.853 5.972 -3.253 1.00 63.13 C ATOM 426 OG SER A 67 7.581 6.765 -2.332 1.00 22.24 O ATOM 0 H SER A 67 5.045 4.343 -3.792 1.00 24.42 H new ATOM 0 HA SER A 67 7.863 4.075 -3.263 1.00 11.11 H new ATOM 0 HB2 SER A 67 7.249 6.121 -4.258 1.00 63.13 H new ATOM 0 HB3 SER A 67 5.811 6.293 -3.270 1.00 63.13 H new ATOM 0 HG SER A 67 7.518 7.708 -2.591 1.00 22.24 H new ATOM 432 N VAL A 68 5.715 4.409 -0.786 1.00 32.33 N ATOM 433 CA VAL A 68 5.557 4.272 0.657 1.00 15.00 C ATOM 434 C VAL A 68 5.767 2.828 1.098 1.00 34.24 C ATOM 435 O VAL A 68 6.301 2.568 2.177 1.00 2.32 O ATOM 436 CB VAL A 68 4.162 4.740 1.115 1.00 4.14 C ATOM 437 CG1 VAL A 68 3.976 6.222 0.829 1.00 74.23 C ATOM 438 CG2 VAL A 68 3.075 3.916 0.441 1.00 44.34 C ATOM 0 H VAL A 68 4.844 4.568 -1.293 1.00 32.33 H new ATOM 0 HA VAL A 68 6.315 4.904 1.120 1.00 15.00 H new ATOM 0 HB VAL A 68 4.083 4.590 2.192 1.00 4.14 H new ATOM 0 HG11 VAL A 68 2.985 6.535 1.159 1.00 74.23 H new ATOM 0 HG12 VAL A 68 4.734 6.794 1.364 1.00 74.23 H new ATOM 0 HG13 VAL A 68 4.075 6.401 -0.242 1.00 74.23 H new ATOM 0 HG21 VAL A 68 2.097 4.260 0.776 1.00 44.34 H new ATOM 0 HG22 VAL A 68 3.149 4.031 -0.640 1.00 44.34 H new ATOM 0 HG23 VAL A 68 3.199 2.865 0.704 1.00 44.34 H new ATOM 448 N LEU A 69 5.342 1.891 0.259 1.00 64.21 N ATOM 449 CA LEU A 69 5.484 0.471 0.561 1.00 22.33 C ATOM 450 C LEU A 69 6.931 0.020 0.394 1.00 24.24 C ATOM 451 O LEU A 69 7.410 -0.846 1.126 1.00 20.02 O ATOM 452 CB LEU A 69 4.572 -0.358 -0.344 1.00 73.15 C ATOM 453 CG LEU A 69 3.220 -0.757 0.247 1.00 3.22 C ATOM 454 CD1 LEU A 69 3.402 -1.802 1.338 1.00 61.03 C ATOM 455 CD2 LEU A 69 2.495 0.465 0.793 1.00 25.12 C ATOM 0 H LEU A 69 4.896 2.089 -0.637 1.00 64.21 H new ATOM 0 HA LEU A 69 5.192 0.316 1.600 1.00 22.33 H new ATOM 0 HB2 LEU A 69 4.393 0.206 -1.260 1.00 73.15 H new ATOM 0 HB3 LEU A 69 5.104 -1.266 -0.628 1.00 73.15 H new ATOM 0 HG LEU A 69 2.612 -1.191 -0.547 1.00 3.22 H new ATOM 0 HD11 LEU A 69 2.429 -2.074 1.747 1.00 61.03 H new ATOM 0 HD12 LEU A 69 3.879 -2.687 0.918 1.00 61.03 H new ATOM 0 HD13 LEU A 69 4.028 -1.394 2.132 1.00 61.03 H new ATOM 0 HD21 LEU A 69 1.534 0.162 1.210 1.00 25.12 H new ATOM 0 HD22 LEU A 69 3.099 0.928 1.573 1.00 25.12 H new ATOM 0 HD23 LEU A 69 2.331 1.181 -0.012 1.00 25.12 H new ATOM 467 N GLN A 70 7.624 0.615 -0.572 1.00 14.11 N ATOM 468 CA GLN A 70 9.016 0.275 -0.834 1.00 44.20 C ATOM 469 C GLN A 70 9.894 0.616 0.366 1.00 64.24 C ATOM 470 O GLN A 70 10.951 0.015 0.567 1.00 54.14 O ATOM 471 CB GLN A 70 9.519 1.015 -2.074 1.00 63.14 C ATOM 472 CG GLN A 70 11.020 0.895 -2.288 1.00 72.22 C ATOM 473 CD GLN A 70 11.463 -0.535 -2.530 1.00 2.22 C ATOM 474 OE1 GLN A 70 10.641 -1.420 -2.764 1.00 72.11 O ATOM 475 NE2 GLN A 70 12.769 -0.767 -2.474 1.00 31.23 N ATOM 0 H GLN A 70 7.243 1.335 -1.186 1.00 14.11 H new ATOM 0 HA GLN A 70 9.074 -0.799 -1.012 1.00 44.20 H new ATOM 0 HB2 GLN A 70 9.003 0.627 -2.952 1.00 63.14 H new ATOM 0 HB3 GLN A 70 9.256 2.069 -1.989 1.00 63.14 H new ATOM 0 HG2 GLN A 70 11.312 1.511 -3.139 1.00 72.22 H new ATOM 0 HG3 GLN A 70 11.540 1.290 -1.415 1.00 72.22 H new ATOM 0 HE21 GLN A 70 13.415 -0.002 -2.277 1.00 31.23 H new ATOM 0 HE22 GLN A 70 13.127 -1.710 -2.628 1.00 31.23 H new ATOM 484 N LYS A 71 9.451 1.584 1.161 1.00 42.30 N ATOM 485 CA LYS A 71 10.195 2.005 2.343 1.00 61.31 C ATOM 486 C LYS A 71 9.667 1.311 3.594 1.00 63.13 C ATOM 487 O LYS A 71 10.435 0.747 4.374 1.00 0.22 O ATOM 488 CB LYS A 71 10.106 3.524 2.513 1.00 72.55 C ATOM 489 CG LYS A 71 10.892 4.299 1.470 1.00 70.12 C ATOM 490 CD LYS A 71 12.347 4.465 1.877 1.00 40.21 C ATOM 491 CE LYS A 71 12.552 5.720 2.712 1.00 13.30 C ATOM 492 NZ LYS A 71 12.340 5.461 4.163 1.00 54.20 N ATOM 0 H LYS A 71 8.580 2.092 1.008 1.00 42.30 H new ATOM 0 HA LYS A 71 11.238 1.722 2.205 1.00 61.31 H new ATOM 0 HB2 LYS A 71 9.060 3.826 2.466 1.00 72.55 H new ATOM 0 HB3 LYS A 71 10.471 3.792 3.504 1.00 72.55 H new ATOM 0 HG2 LYS A 71 10.838 3.780 0.513 1.00 70.12 H new ATOM 0 HG3 LYS A 71 10.439 5.280 1.327 1.00 70.12 H new ATOM 0 HD2 LYS A 71 12.669 3.592 2.445 1.00 40.21 H new ATOM 0 HD3 LYS A 71 12.972 4.514 0.985 1.00 40.21 H new ATOM 0 HE2 LYS A 71 13.561 6.100 2.555 1.00 13.30 H new ATOM 0 HE3 LYS A 71 11.863 6.496 2.377 1.00 13.30 H new ATOM 0 HZ1 LYS A 71 12.937 6.104 4.721 1.00 54.20 H new ATOM 0 HZ2 LYS A 71 11.341 5.622 4.402 1.00 54.20 H new ATOM 0 HZ3 LYS A 71 12.594 4.476 4.381 1.00 54.20 H new ATOM 506 N LEU A 72 8.352 1.355 3.778 1.00 23.45 N ATOM 507 CA LEU A 72 7.721 0.728 4.935 1.00 73.12 C ATOM 508 C LEU A 72 7.902 -0.786 4.900 1.00 2.14 C ATOM 509 O LEU A 72 8.438 -1.379 5.836 1.00 44.21 O ATOM 510 CB LEU A 72 6.232 1.074 4.977 1.00 51.14 C ATOM 511 CG LEU A 72 5.861 2.352 5.730 1.00 32.01 C ATOM 512 CD1 LEU A 72 6.707 3.520 5.247 1.00 54.41 C ATOM 513 CD2 LEU A 72 4.380 2.659 5.562 1.00 30.45 C ATOM 0 H LEU A 72 7.702 1.818 3.142 1.00 23.45 H new ATOM 0 HA LEU A 72 8.203 1.112 5.834 1.00 73.12 H new ATOM 0 HB2 LEU A 72 5.871 1.162 3.952 1.00 51.14 H new ATOM 0 HB3 LEU A 72 5.698 0.240 5.432 1.00 51.14 H new ATOM 0 HG LEU A 72 6.062 2.198 6.790 1.00 32.01 H new ATOM 0 HD11 LEU A 72 6.429 4.421 5.794 1.00 54.41 H new ATOM 0 HD12 LEU A 72 7.761 3.302 5.419 1.00 54.41 H new ATOM 0 HD13 LEU A 72 6.538 3.676 4.182 1.00 54.41 H new ATOM 0 HD21 LEU A 72 4.134 3.572 6.105 1.00 30.45 H new ATOM 0 HD22 LEU A 72 4.154 2.793 4.504 1.00 30.45 H new ATOM 0 HD23 LEU A 72 3.790 1.832 5.957 1.00 30.45 H new ATOM 525 N GLY A 73 7.453 -1.407 3.814 1.00 11.50 N ATOM 526 CA GLY A 73 7.577 -2.846 3.677 1.00 71.05 C ATOM 527 C GLY A 73 6.312 -3.578 4.080 1.00 70.14 C ATOM 528 O GLY A 73 5.205 -3.143 3.759 1.00 11.34 O ATOM 0 H GLY A 73 7.005 -0.939 3.026 1.00 11.50 H new ATOM 0 HA2 GLY A 73 7.820 -3.090 2.643 1.00 71.05 H new ATOM 0 HA3 GLY A 73 8.407 -3.196 4.291 1.00 71.05 H new ATOM 532 N VAL A 74 6.474 -4.694 4.783 1.00 2.35 N ATOM 533 CA VAL A 74 5.336 -5.488 5.230 1.00 11.15 C ATOM 534 C VAL A 74 4.976 -5.168 6.677 1.00 64.22 C ATOM 535 O VAL A 74 3.837 -5.362 7.100 1.00 10.40 O ATOM 536 CB VAL A 74 5.620 -6.996 5.105 1.00 62.21 C ATOM 537 CG1 VAL A 74 4.399 -7.806 5.513 1.00 65.13 C ATOM 538 CG2 VAL A 74 6.049 -7.342 3.686 1.00 14.33 C ATOM 0 H VAL A 74 7.383 -5.069 5.055 1.00 2.35 H new ATOM 0 HA VAL A 74 4.497 -5.229 4.584 1.00 11.15 H new ATOM 0 HB VAL A 74 6.437 -7.250 5.780 1.00 62.21 H new ATOM 0 HG11 VAL A 74 4.619 -8.869 5.418 1.00 65.13 H new ATOM 0 HG12 VAL A 74 4.142 -7.580 6.548 1.00 65.13 H new ATOM 0 HG13 VAL A 74 3.560 -7.550 4.866 1.00 65.13 H new ATOM 0 HG21 VAL A 74 6.246 -8.412 3.616 1.00 14.33 H new ATOM 0 HG22 VAL A 74 5.255 -7.073 2.990 1.00 14.33 H new ATOM 0 HG23 VAL A 74 6.954 -6.790 3.435 1.00 14.33 H new ATOM 548 N GLN A 75 5.956 -4.679 7.430 1.00 72.24 N ATOM 549 CA GLN A 75 5.743 -4.332 8.830 1.00 34.20 C ATOM 550 C GLN A 75 4.781 -3.156 8.960 1.00 51.24 C ATOM 551 O GLN A 75 4.240 -2.899 10.035 1.00 72.32 O ATOM 552 CB GLN A 75 7.075 -3.994 9.502 1.00 34.01 C ATOM 553 CG GLN A 75 7.760 -2.772 8.913 1.00 1.01 C ATOM 554 CD GLN A 75 9.117 -2.508 9.535 1.00 10.11 C ATOM 555 OE1 GLN A 75 9.513 -3.172 10.493 1.00 3.30 O ATOM 556 NE2 GLN A 75 9.837 -1.533 8.993 1.00 3.14 N ATOM 0 H GLN A 75 6.905 -4.514 7.094 1.00 72.24 H new ATOM 0 HA GLN A 75 5.301 -5.195 9.328 1.00 34.20 H new ATOM 0 HB2 GLN A 75 6.904 -3.827 10.565 1.00 34.01 H new ATOM 0 HB3 GLN A 75 7.743 -4.851 9.417 1.00 34.01 H new ATOM 0 HG2 GLN A 75 7.878 -2.909 7.838 1.00 1.01 H new ATOM 0 HG3 GLN A 75 7.123 -1.899 9.055 1.00 1.01 H new ATOM 0 HE21 GLN A 75 9.469 -1.008 8.199 1.00 3.14 H new ATOM 0 HE22 GLN A 75 10.758 -1.309 9.370 1.00 3.14 H new ATOM 565 N ALA A 76 4.574 -2.444 7.856 1.00 15.32 N ATOM 566 CA ALA A 76 3.676 -1.296 7.846 1.00 13.21 C ATOM 567 C ALA A 76 2.314 -1.659 8.428 1.00 13.31 C ATOM 568 O ALA A 76 2.018 -2.832 8.656 1.00 53.51 O ATOM 569 CB ALA A 76 3.521 -0.759 6.432 1.00 51.23 C ATOM 0 H ALA A 76 5.016 -2.642 6.958 1.00 15.32 H new ATOM 0 HA ALA A 76 4.114 -0.519 8.472 1.00 13.21 H new ATOM 0 HB1 ALA A 76 2.848 0.098 6.440 1.00 51.23 H new ATOM 0 HB2 ALA A 76 4.495 -0.452 6.051 1.00 51.23 H new ATOM 0 HB3 ALA A 76 3.109 -1.538 5.790 1.00 51.23 H new ATOM 575 N ASP A 77 1.488 -0.645 8.668 1.00 62.33 N ATOM 576 CA ASP A 77 0.157 -0.857 9.222 1.00 22.42 C ATOM 577 C ASP A 77 -0.883 -0.027 8.476 1.00 64.20 C ATOM 578 O ASP A 77 -0.540 0.894 7.734 1.00 75.43 O ATOM 579 CB ASP A 77 0.138 -0.503 10.710 1.00 43.22 C ATOM 580 CG ASP A 77 1.451 -0.823 11.398 1.00 52.10 C ATOM 581 OD1 ASP A 77 1.790 -2.020 11.503 1.00 73.42 O ATOM 582 OD2 ASP A 77 2.140 0.124 11.831 1.00 54.44 O ATOM 0 H ASP A 77 1.718 0.332 8.487 1.00 62.33 H new ATOM 0 HA ASP A 77 -0.094 -1.911 9.103 1.00 22.42 H new ATOM 0 HB2 ASP A 77 -0.080 0.559 10.825 1.00 43.22 H new ATOM 0 HB3 ASP A 77 -0.668 -1.049 11.200 1.00 43.22 H new ATOM 588 N THR A 78 -2.154 -0.361 8.676 1.00 52.35 N ATOM 589 CA THR A 78 -3.243 0.352 8.020 1.00 33.13 C ATOM 590 C THR A 78 -3.146 1.853 8.269 1.00 53.34 C ATOM 591 O THR A 78 -3.509 2.659 7.412 1.00 25.52 O ATOM 592 CB THR A 78 -4.616 -0.150 8.506 1.00 44.01 C ATOM 593 OG1 THR A 78 -4.696 -1.572 8.361 1.00 31.10 O ATOM 594 CG2 THR A 78 -5.741 0.509 7.723 1.00 50.31 C ATOM 0 H THR A 78 -2.454 -1.121 9.287 1.00 52.35 H new ATOM 0 HA THR A 78 -3.150 0.157 6.952 1.00 33.13 H new ATOM 0 HB THR A 78 -4.724 0.114 9.558 1.00 44.01 H new ATOM 0 HG1 THR A 78 -5.571 -1.884 8.674 1.00 31.10 H new ATOM 0 HG21 THR A 78 -6.701 0.139 8.084 1.00 50.31 H new ATOM 0 HG22 THR A 78 -5.694 1.590 7.859 1.00 50.31 H new ATOM 0 HG23 THR A 78 -5.635 0.271 6.664 1.00 50.31 H new ATOM 602 N ASN A 79 -2.654 2.223 9.447 1.00 73.45 N ATOM 603 CA ASN A 79 -2.510 3.628 9.808 1.00 10.42 C ATOM 604 C ASN A 79 -1.281 4.237 9.141 1.00 43.41 C ATOM 605 O ASN A 79 -1.352 5.313 8.545 1.00 24.21 O ATOM 606 CB ASN A 79 -2.407 3.777 11.327 1.00 1.41 C ATOM 607 CG ASN A 79 -2.269 5.226 11.758 1.00 60.25 C ATOM 608 OD1 ASN A 79 -3.264 5.913 11.989 1.00 0.33 O ATOM 609 ND2 ASN A 79 -1.032 5.696 11.864 1.00 24.34 N ATOM 0 H ASN A 79 -2.348 1.569 10.168 1.00 73.45 H new ATOM 0 HA ASN A 79 -3.393 4.161 9.457 1.00 10.42 H new ATOM 0 HB2 ASN A 79 -3.293 3.345 11.793 1.00 1.41 H new ATOM 0 HB3 ASN A 79 -1.549 3.210 11.688 1.00 1.41 H new ATOM 0 HD21 ASN A 79 -0.877 6.664 12.147 1.00 24.34 H new ATOM 0 HD22 ASN A 79 -0.237 5.090 11.662 1.00 24.34 H new ATOM 616 N THR A 80 -0.152 3.542 9.244 1.00 13.42 N ATOM 617 CA THR A 80 1.093 4.014 8.652 1.00 63.22 C ATOM 618 C THR A 80 0.903 4.369 7.182 1.00 13.41 C ATOM 619 O THR A 80 1.241 5.473 6.751 1.00 74.12 O ATOM 620 CB THR A 80 2.208 2.958 8.773 1.00 25.11 C ATOM 621 OG1 THR A 80 2.142 2.320 10.053 1.00 32.43 O ATOM 622 CG2 THR A 80 3.578 3.593 8.587 1.00 51.01 C ATOM 0 H THR A 80 -0.075 2.650 9.732 1.00 13.42 H new ATOM 0 HA THR A 80 1.387 4.907 9.204 1.00 63.22 H new ATOM 0 HB THR A 80 2.060 2.215 7.989 1.00 25.11 H new ATOM 0 HG1 THR A 80 2.755 1.556 10.069 1.00 32.43 H new ATOM 0 HG21 THR A 80 4.349 2.828 8.677 1.00 51.01 H new ATOM 0 HG22 THR A 80 3.635 4.052 7.600 1.00 51.01 H new ATOM 0 HG23 THR A 80 3.733 4.355 9.351 1.00 51.01 H new ATOM 630 N VAL A 81 0.359 3.429 6.416 1.00 44.43 N ATOM 631 CA VAL A 81 0.123 3.644 4.994 1.00 55.44 C ATOM 632 C VAL A 81 -0.647 4.938 4.754 1.00 2.32 C ATOM 633 O VAL A 81 -0.185 5.824 4.031 1.00 32.43 O ATOM 634 CB VAL A 81 -0.659 2.473 4.371 1.00 34.31 C ATOM 635 CG1 VAL A 81 -0.783 2.653 2.866 1.00 73.43 C ATOM 636 CG2 VAL A 81 0.011 1.148 4.705 1.00 74.04 C ATOM 0 H VAL A 81 0.073 2.511 6.757 1.00 44.43 H new ATOM 0 HA VAL A 81 1.101 3.712 4.518 1.00 55.44 H new ATOM 0 HB VAL A 81 -1.663 2.463 4.795 1.00 34.31 H new ATOM 0 HG11 VAL A 81 -1.339 1.816 2.444 1.00 73.43 H new ATOM 0 HG12 VAL A 81 -1.311 3.583 2.653 1.00 73.43 H new ATOM 0 HG13 VAL A 81 0.211 2.690 2.421 1.00 73.43 H new ATOM 0 HG21 VAL A 81 -0.555 0.331 4.257 1.00 74.04 H new ATOM 0 HG22 VAL A 81 1.027 1.145 4.311 1.00 74.04 H new ATOM 0 HG23 VAL A 81 0.041 1.018 5.787 1.00 74.04 H new ATOM 646 N LEU A 82 -1.821 5.043 5.366 1.00 62.05 N ATOM 647 CA LEU A 82 -2.656 6.231 5.219 1.00 35.25 C ATOM 648 C LEU A 82 -1.879 7.491 5.587 1.00 52.41 C ATOM 649 O LEU A 82 -1.855 8.461 4.830 1.00 24.40 O ATOM 650 CB LEU A 82 -3.903 6.113 6.098 1.00 63.01 C ATOM 651 CG LEU A 82 -4.829 4.934 5.794 1.00 3.34 C ATOM 652 CD1 LEU A 82 -5.651 4.572 7.021 1.00 72.21 C ATOM 653 CD2 LEU A 82 -5.736 5.257 4.618 1.00 53.33 C ATOM 0 H LEU A 82 -2.217 4.321 5.968 1.00 62.05 H new ATOM 0 HA LEU A 82 -2.960 6.305 4.175 1.00 35.25 H new ATOM 0 HB2 LEU A 82 -3.585 6.040 7.138 1.00 63.01 H new ATOM 0 HB3 LEU A 82 -4.478 7.034 6.004 1.00 63.01 H new ATOM 0 HG LEU A 82 -4.215 4.074 5.526 1.00 3.34 H new ATOM 0 HD11 LEU A 82 -6.304 3.731 6.786 1.00 72.21 H new ATOM 0 HD12 LEU A 82 -4.984 4.296 7.838 1.00 72.21 H new ATOM 0 HD13 LEU A 82 -6.255 5.429 7.320 1.00 72.21 H new ATOM 0 HD21 LEU A 82 -6.387 4.407 4.417 1.00 53.33 H new ATOM 0 HD22 LEU A 82 -6.343 6.131 4.856 1.00 53.33 H new ATOM 0 HD23 LEU A 82 -5.129 5.466 3.737 1.00 53.33 H new ATOM 665 N GLY A 83 -1.242 7.469 6.754 1.00 32.32 N ATOM 666 CA GLY A 83 -0.472 8.614 7.200 1.00 44.32 C ATOM 667 C GLY A 83 0.528 9.081 6.160 1.00 34.03 C ATOM 668 O GLY A 83 0.688 10.281 5.940 1.00 45.10 O ATOM 0 H GLY A 83 -1.246 6.678 7.398 1.00 32.32 H new ATOM 0 HA2 GLY A 83 -1.150 9.433 7.441 1.00 44.32 H new ATOM 0 HA3 GLY A 83 0.056 8.357 8.118 1.00 44.32 H new ATOM 672 N GLU A 84 1.202 8.131 5.520 1.00 51.31 N ATOM 673 CA GLU A 84 2.192 8.453 4.500 1.00 44.15 C ATOM 674 C GLU A 84 1.576 9.302 3.392 1.00 62.11 C ATOM 675 O GLU A 84 2.196 10.246 2.899 1.00 73.43 O ATOM 676 CB GLU A 84 2.782 7.171 3.907 1.00 73.21 C ATOM 677 CG GLU A 84 3.639 6.386 4.885 1.00 2.52 C ATOM 678 CD GLU A 84 5.026 6.978 5.051 1.00 53.12 C ATOM 679 OE1 GLU A 84 5.540 6.973 6.189 1.00 3.42 O ATOM 680 OE2 GLU A 84 5.597 7.445 4.043 1.00 32.24 O ATOM 0 H GLU A 84 1.080 7.133 5.690 1.00 51.31 H new ATOM 0 HA GLU A 84 2.989 9.027 4.973 1.00 44.15 H new ATOM 0 HB2 GLU A 84 1.969 6.535 3.558 1.00 73.21 H new ATOM 0 HB3 GLU A 84 3.383 7.427 3.035 1.00 73.21 H new ATOM 0 HG2 GLU A 84 3.142 6.356 5.855 1.00 2.52 H new ATOM 0 HG3 GLU A 84 3.727 5.356 4.540 1.00 2.52 H new ATOM 688 N LEU A 85 0.352 8.960 3.005 1.00 62.31 N ATOM 689 CA LEU A 85 -0.350 9.690 1.954 1.00 63.34 C ATOM 690 C LEU A 85 -0.942 10.987 2.495 1.00 71.24 C ATOM 691 O LEU A 85 -1.037 11.984 1.779 1.00 41.12 O ATOM 692 CB LEU A 85 -1.457 8.821 1.355 1.00 2.30 C ATOM 693 CG LEU A 85 -1.077 7.375 1.036 1.00 32.31 C ATOM 694 CD1 LEU A 85 -2.323 6.530 0.818 1.00 54.45 C ATOM 695 CD2 LEU A 85 -0.171 7.317 -0.185 1.00 0.33 C ATOM 0 H LEU A 85 -0.175 8.182 3.403 1.00 62.31 H new ATOM 0 HA LEU A 85 0.370 9.938 1.174 1.00 63.34 H new ATOM 0 HB2 LEU A 85 -2.298 8.810 2.048 1.00 2.30 H new ATOM 0 HB3 LEU A 85 -1.807 9.294 0.438 1.00 2.30 H new ATOM 0 HG LEU A 85 -0.532 6.968 1.887 1.00 32.31 H new ATOM 0 HD11 LEU A 85 -2.032 5.504 0.592 1.00 54.45 H new ATOM 0 HD12 LEU A 85 -2.934 6.543 1.720 1.00 54.45 H new ATOM 0 HD13 LEU A 85 -2.897 6.936 -0.015 1.00 54.45 H new ATOM 0 HD21 LEU A 85 0.089 6.280 -0.396 1.00 0.33 H new ATOM 0 HD22 LEU A 85 -0.690 7.743 -1.044 1.00 0.33 H new ATOM 0 HD23 LEU A 85 0.738 7.886 0.009 1.00 0.33 H new ATOM 707 N VAL A 86 -1.337 10.967 3.763 1.00 12.45 N ATOM 708 CA VAL A 86 -1.917 12.143 4.402 1.00 30.01 C ATOM 709 C VAL A 86 -0.958 13.326 4.351 1.00 65.00 C ATOM 710 O VAL A 86 -1.376 14.482 4.417 1.00 44.54 O ATOM 711 CB VAL A 86 -2.286 11.860 5.871 1.00 31.21 C ATOM 712 CG1 VAL A 86 -2.839 13.111 6.534 1.00 55.43 C ATOM 713 CG2 VAL A 86 -3.285 10.716 5.956 1.00 33.34 C ATOM 0 H VAL A 86 -1.266 10.150 4.369 1.00 12.45 H new ATOM 0 HA VAL A 86 -2.823 12.389 3.848 1.00 30.01 H new ATOM 0 HB VAL A 86 -1.382 11.565 6.405 1.00 31.21 H new ATOM 0 HG11 VAL A 86 -3.094 12.891 7.571 1.00 55.43 H new ATOM 0 HG12 VAL A 86 -2.088 13.901 6.505 1.00 55.43 H new ATOM 0 HG13 VAL A 86 -3.732 13.440 6.003 1.00 55.43 H new ATOM 0 HG21 VAL A 86 -3.535 10.528 7.000 1.00 33.34 H new ATOM 0 HG22 VAL A 86 -4.189 10.981 5.408 1.00 33.34 H new ATOM 0 HG23 VAL A 86 -2.847 9.818 5.521 1.00 33.34 H new