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+ 136:sc= 0.117 (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= -0.144 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= 0.138 K(o=0.14,f=-0.64) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00946 X(o=-0.0095,f=-0.49) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0669 USER MOD ----------------------------------------------------------------- ATOM 151 N LYS A 51 -2.051 -5.246 -1.030 1.00 23.15 N ATOM 152 CA LYS A 51 -1.799 -4.030 -0.265 1.00 53.22 C ATOM 153 C LYS A 51 -1.756 -2.811 -1.180 1.00 61.15 C ATOM 154 O LYS A 51 -2.346 -1.774 -0.879 1.00 40.14 O ATOM 155 CB LYS A 51 -0.482 -4.150 0.505 1.00 15.35 C ATOM 156 CG LYS A 51 -0.653 -4.664 1.925 1.00 61.31 C ATOM 157 CD LYS A 51 0.685 -4.795 2.634 1.00 13.15 C ATOM 158 CE LYS A 51 0.588 -5.720 3.838 1.00 12.13 C ATOM 159 NZ LYS A 51 1.589 -5.373 4.885 1.00 54.11 N ATOM 0 HA LYS A 51 -2.616 -3.901 0.444 1.00 53.22 H new ATOM 0 HB2 LYS A 51 0.186 -4.819 -0.037 1.00 15.35 H new ATOM 0 HB3 LYS A 51 0.001 -3.173 0.537 1.00 15.35 H new ATOM 0 HG2 LYS A 51 -1.297 -3.985 2.484 1.00 61.31 H new ATOM 0 HG3 LYS A 51 -1.152 -5.633 1.905 1.00 61.31 H new ATOM 0 HD2 LYS A 51 1.431 -5.179 1.938 1.00 13.15 H new ATOM 0 HD3 LYS A 51 1.026 -3.811 2.956 1.00 13.15 H new ATOM 0 HE2 LYS A 51 -0.415 -5.662 4.261 1.00 12.13 H new ATOM 0 HE3 LYS A 51 0.740 -6.751 3.518 1.00 12.13 H new ATOM 0 HZ1 LYS A 51 1.491 -6.026 5.689 1.00 54.11 H new ATOM 0 HZ2 LYS A 51 2.547 -5.453 4.489 1.00 54.11 H new ATOM 0 HZ3 LYS A 51 1.428 -4.398 5.209 1.00 54.11 H new ATOM 173 N VAL A 52 -1.053 -2.943 -2.302 1.00 32.14 N ATOM 174 CA VAL A 52 -0.934 -1.853 -3.263 1.00 33.13 C ATOM 175 C VAL A 52 -2.185 -1.743 -4.126 1.00 33.15 C ATOM 176 O VAL A 52 -2.747 -0.659 -4.289 1.00 23.44 O ATOM 177 CB VAL A 52 0.292 -2.042 -4.176 1.00 12.33 C ATOM 178 CG1 VAL A 52 0.506 -0.810 -5.042 1.00 53.10 C ATOM 179 CG2 VAL A 52 1.532 -2.343 -3.348 1.00 32.11 C ATOM 0 H VAL A 52 -0.558 -3.794 -2.567 1.00 32.14 H new ATOM 0 HA VAL A 52 -0.811 -0.935 -2.688 1.00 33.13 H new ATOM 0 HB VAL A 52 0.107 -2.892 -4.833 1.00 12.33 H new ATOM 0 HG11 VAL A 52 1.376 -0.961 -5.681 1.00 53.10 H new ATOM 0 HG12 VAL A 52 -0.375 -0.644 -5.662 1.00 53.10 H new ATOM 0 HG13 VAL A 52 0.670 0.059 -4.405 1.00 53.10 H new ATOM 0 HG21 VAL A 52 2.388 -2.474 -4.010 1.00 32.11 H new ATOM 0 HG22 VAL A 52 1.724 -1.515 -2.666 1.00 32.11 H new ATOM 0 HG23 VAL A 52 1.374 -3.256 -2.775 1.00 32.11 H new ATOM 189 N ASP A 53 -2.619 -2.872 -4.676 1.00 21.14 N ATOM 190 CA ASP A 53 -3.806 -2.904 -5.522 1.00 53.44 C ATOM 191 C ASP A 53 -4.993 -2.255 -4.817 1.00 35.35 C ATOM 192 O ASP A 53 -5.891 -1.712 -5.461 1.00 42.13 O ATOM 193 CB ASP A 53 -4.148 -4.345 -5.905 1.00 51.51 C ATOM 194 CG ASP A 53 -5.153 -4.420 -7.037 1.00 43.03 C ATOM 195 OD1 ASP A 53 -5.183 -3.487 -7.868 1.00 4.24 O ATOM 196 OD2 ASP A 53 -5.908 -5.412 -7.095 1.00 11.14 O ATOM 0 H ASP A 53 -2.166 -3.777 -4.551 1.00 21.14 H new ATOM 0 HA ASP A 53 -3.591 -2.338 -6.428 1.00 53.44 H new ATOM 0 HB2 ASP A 53 -3.236 -4.866 -6.197 1.00 51.51 H new ATOM 0 HB3 ASP A 53 -4.547 -4.865 -5.034 1.00 51.51 H new ATOM 202 N PHE A 54 -4.994 -2.319 -3.490 1.00 4.23 N ATOM 203 CA PHE A 54 -6.072 -1.741 -2.696 1.00 4.05 C ATOM 204 C PHE A 54 -6.106 -0.223 -2.849 1.00 2.12 C ATOM 205 O PHE A 54 -6.995 0.326 -3.501 1.00 44.52 O ATOM 206 CB PHE A 54 -5.904 -2.112 -1.221 1.00 75.23 C ATOM 207 CG PHE A 54 -7.008 -1.594 -0.344 1.00 5.44 C ATOM 208 CD1 PHE A 54 -6.928 -0.330 0.218 1.00 43.13 C ATOM 209 CD2 PHE A 54 -8.123 -2.371 -0.079 1.00 32.13 C ATOM 210 CE1 PHE A 54 -7.941 0.151 1.026 1.00 61.23 C ATOM 211 CE2 PHE A 54 -9.140 -1.896 0.727 1.00 12.13 C ATOM 212 CZ PHE A 54 -9.048 -0.634 1.282 1.00 41.23 C ATOM 0 H PHE A 54 -4.260 -2.766 -2.941 1.00 4.23 H new ATOM 0 HA PHE A 54 -7.016 -2.147 -3.060 1.00 4.05 H new ATOM 0 HB2 PHE A 54 -5.858 -3.197 -1.130 1.00 75.23 H new ATOM 0 HB3 PHE A 54 -4.952 -1.721 -0.862 1.00 75.23 H new ATOM 0 HD1 PHE A 54 -6.063 0.287 0.022 1.00 43.13 H new ATOM 0 HD2 PHE A 54 -8.199 -3.360 -0.507 1.00 32.13 H new ATOM 0 HE1 PHE A 54 -7.867 1.139 1.456 1.00 61.23 H new ATOM 0 HE2 PHE A 54 -10.006 -2.511 0.923 1.00 12.13 H new ATOM 0 HZ PHE A 54 -9.840 -0.262 1.915 1.00 41.23 H new ATOM 222 N PHE A 55 -5.133 0.449 -2.243 1.00 73.41 N ATOM 223 CA PHE A 55 -5.051 1.903 -2.310 1.00 33.42 C ATOM 224 C PHE A 55 -5.040 2.381 -3.759 1.00 4.41 C ATOM 225 O PHE A 55 -5.431 3.510 -4.055 1.00 23.15 O ATOM 226 CB PHE A 55 -3.797 2.399 -1.587 1.00 35.23 C ATOM 227 CG PHE A 55 -3.973 2.527 -0.101 1.00 31.31 C ATOM 228 CD1 PHE A 55 -3.724 1.449 0.735 1.00 15.50 C ATOM 229 CD2 PHE A 55 -4.386 3.724 0.461 1.00 22.24 C ATOM 230 CE1 PHE A 55 -3.886 1.564 2.102 1.00 1.11 C ATOM 231 CE2 PHE A 55 -4.549 3.844 1.829 1.00 50.33 C ATOM 232 CZ PHE A 55 -4.297 2.764 2.650 1.00 31.22 C ATOM 0 H PHE A 55 -4.390 0.009 -1.700 1.00 73.41 H new ATOM 0 HA PHE A 55 -5.932 2.314 -1.817 1.00 33.42 H new ATOM 0 HB2 PHE A 55 -2.975 1.712 -1.790 1.00 35.23 H new ATOM 0 HB3 PHE A 55 -3.511 3.368 -1.996 1.00 35.23 H new ATOM 0 HD1 PHE A 55 -3.400 0.509 0.313 1.00 15.50 H new ATOM 0 HD2 PHE A 55 -4.583 4.573 -0.177 1.00 22.24 H new ATOM 0 HE1 PHE A 55 -3.691 0.716 2.742 1.00 1.11 H new ATOM 0 HE2 PHE A 55 -4.873 4.782 2.254 1.00 50.33 H new ATOM 0 HZ PHE A 55 -4.421 2.856 3.719 1.00 31.22 H new ATOM 242 N ARG A 56 -4.586 1.513 -4.658 1.00 12.53 N ATOM 243 CA ARG A 56 -4.521 1.847 -6.076 1.00 1.33 C ATOM 244 C ARG A 56 -5.907 2.182 -6.620 1.00 61.11 C ATOM 245 O ARG A 56 -6.042 2.937 -7.583 1.00 71.04 O ATOM 246 CB ARG A 56 -3.917 0.685 -6.867 1.00 55.54 C ATOM 247 CG ARG A 56 -2.397 0.658 -6.844 1.00 75.33 C ATOM 248 CD ARG A 56 -1.812 1.150 -8.158 1.00 44.14 C ATOM 249 NE ARG A 56 -2.107 0.243 -9.264 1.00 34.51 N ATOM 250 CZ ARG A 56 -2.072 0.605 -10.541 1.00 3.10 C ATOM 251 NH1 ARG A 56 -1.753 1.848 -10.872 1.00 24.11 N ATOM 252 NH2 ARG A 56 -2.354 -0.279 -11.490 1.00 41.41 N ATOM 0 H ARG A 56 -4.258 0.574 -4.430 1.00 12.53 H new ATOM 0 HA ARG A 56 -3.884 2.725 -6.189 1.00 1.33 H new ATOM 0 HB2 ARG A 56 -4.295 -0.254 -6.463 1.00 55.54 H new ATOM 0 HB3 ARG A 56 -4.255 0.746 -7.901 1.00 55.54 H new ATOM 0 HG2 ARG A 56 -2.033 1.281 -6.027 1.00 75.33 H new ATOM 0 HG3 ARG A 56 -2.053 -0.358 -6.649 1.00 75.33 H new ATOM 0 HD2 ARG A 56 -2.211 2.139 -8.384 1.00 44.14 H new ATOM 0 HD3 ARG A 56 -0.732 1.258 -8.056 1.00 44.14 H new ATOM 0 HE ARG A 56 -2.354 -0.722 -9.043 1.00 34.51 H new ATOM 0 HH11 ARG A 56 -1.534 2.529 -10.145 1.00 24.11 H new ATOM 0 HH12 ARG A 56 -1.727 2.124 -11.854 1.00 24.11 H new ATOM 0 HH21 ARG A 56 -2.598 -1.237 -11.238 1.00 41.41 H new ATOM 0 HH22 ARG A 56 -2.327 -0.000 -12.471 1.00 41.41 H new ATOM 266 N LYS A 57 -6.934 1.615 -5.997 1.00 75.41 N ATOM 267 CA LYS A 57 -8.310 1.852 -6.417 1.00 22.14 C ATOM 268 C LYS A 57 -8.928 3.003 -5.630 1.00 21.23 C ATOM 269 O LYS A 57 -9.891 3.627 -6.076 1.00 75.44 O ATOM 270 CB LYS A 57 -9.148 0.584 -6.231 1.00 11.22 C ATOM 271 CG LYS A 57 -9.700 0.422 -4.826 1.00 23.14 C ATOM 272 CD LYS A 57 -9.717 -1.036 -4.398 1.00 63.44 C ATOM 273 CE LYS A 57 -9.910 -1.176 -2.897 1.00 13.05 C ATOM 274 NZ LYS A 57 -10.533 -2.479 -2.535 1.00 54.01 N ATOM 0 H LYS A 57 -6.839 0.987 -5.199 1.00 75.41 H new ATOM 0 HA LYS A 57 -8.300 2.121 -7.473 1.00 22.14 H new ATOM 0 HB2 LYS A 57 -9.977 0.599 -6.939 1.00 11.22 H new ATOM 0 HB3 LYS A 57 -8.537 -0.285 -6.475 1.00 11.22 H new ATOM 0 HG2 LYS A 57 -9.095 1.000 -4.128 1.00 23.14 H new ATOM 0 HG3 LYS A 57 -10.711 0.827 -4.782 1.00 23.14 H new ATOM 0 HD2 LYS A 57 -10.519 -1.559 -4.919 1.00 63.44 H new ATOM 0 HD3 LYS A 57 -8.782 -1.513 -4.691 1.00 63.44 H new ATOM 0 HE2 LYS A 57 -8.946 -1.084 -2.397 1.00 13.05 H new ATOM 0 HE3 LYS A 57 -10.536 -0.361 -2.534 1.00 13.05 H new ATOM 0 HZ1 LYS A 57 -10.038 -2.885 -1.715 1.00 54.01 H new ATOM 0 HZ2 LYS A 57 -11.534 -2.331 -2.296 1.00 54.01 H new ATOM 0 HZ3 LYS A 57 -10.463 -3.133 -3.341 1.00 54.01 H new ATOM 288 N LEU A 58 -8.368 3.280 -4.457 1.00 64.25 N ATOM 289 CA LEU A 58 -8.863 4.357 -3.608 1.00 15.20 C ATOM 290 C LEU A 58 -8.768 5.701 -4.323 1.00 35.02 C ATOM 291 O LEU A 58 -9.445 6.661 -3.956 1.00 34.41 O ATOM 292 CB LEU A 58 -8.074 4.406 -2.299 1.00 4.15 C ATOM 293 CG LEU A 58 -8.661 3.612 -1.131 1.00 21.21 C ATOM 294 CD1 LEU A 58 -9.998 4.199 -0.706 1.00 24.54 C ATOM 295 CD2 LEU A 58 -8.815 2.146 -1.507 1.00 23.23 C ATOM 0 H LEU A 58 -7.571 2.773 -4.073 1.00 64.25 H new ATOM 0 HA LEU A 58 -9.911 4.158 -3.385 1.00 15.20 H new ATOM 0 HB2 LEU A 58 -7.066 4.039 -2.492 1.00 4.15 H new ATOM 0 HB3 LEU A 58 -7.980 5.448 -1.993 1.00 4.15 H new ATOM 0 HG LEU A 58 -7.973 3.679 -0.288 1.00 21.21 H new ATOM 0 HD11 LEU A 58 -10.401 3.621 0.126 1.00 24.54 H new ATOM 0 HD12 LEU A 58 -9.858 5.234 -0.395 1.00 24.54 H new ATOM 0 HD13 LEU A 58 -10.694 4.162 -1.544 1.00 24.54 H new ATOM 0 HD21 LEU A 58 -9.234 1.596 -0.664 1.00 23.23 H new ATOM 0 HD22 LEU A 58 -9.482 2.058 -2.365 1.00 23.23 H new ATOM 0 HD23 LEU A 58 -7.840 1.731 -1.762 1.00 23.23 H new ATOM 307 N GLY A 59 -7.924 5.762 -5.348 1.00 22.22 N ATOM 308 CA GLY A 59 -7.757 6.992 -6.100 1.00 4.05 C ATOM 309 C GLY A 59 -6.360 7.566 -5.970 1.00 21.31 C ATOM 310 O GLY A 59 -6.159 8.772 -6.119 1.00 34.50 O ATOM 0 H GLY A 59 -7.353 4.981 -5.671 1.00 22.22 H new ATOM 0 HA2 GLY A 59 -7.972 6.803 -7.152 1.00 4.05 H new ATOM 0 HA3 GLY A 59 -8.483 7.728 -5.753 1.00 4.05 H new ATOM 314 N TYR A 60 -5.391 6.702 -5.689 1.00 11.02 N ATOM 315 CA TYR A 60 -4.006 7.130 -5.535 1.00 64.23 C ATOM 316 C TYR A 60 -3.177 6.744 -6.757 1.00 34.04 C ATOM 317 O TYR A 60 -3.698 6.190 -7.725 1.00 11.53 O ATOM 318 CB TYR A 60 -3.396 6.512 -4.275 1.00 41.43 C ATOM 319 CG TYR A 60 -3.811 7.208 -2.998 1.00 72.10 C ATOM 320 CD1 TYR A 60 -3.368 8.492 -2.708 1.00 71.04 C ATOM 321 CD2 TYR A 60 -4.646 6.580 -2.082 1.00 71.15 C ATOM 322 CE1 TYR A 60 -3.744 9.131 -1.542 1.00 31.43 C ATOM 323 CE2 TYR A 60 -5.028 7.211 -0.915 1.00 10.13 C ATOM 324 CZ TYR A 60 -4.574 8.487 -0.649 1.00 74.31 C ATOM 325 OH TYR A 60 -4.952 9.120 0.513 1.00 70.22 O ATOM 0 H TYR A 60 -5.539 5.701 -5.563 1.00 11.02 H new ATOM 0 HA TYR A 60 -3.997 8.216 -5.440 1.00 64.23 H new ATOM 0 HB2 TYR A 60 -3.686 5.463 -4.218 1.00 41.43 H new ATOM 0 HB3 TYR A 60 -2.309 6.538 -4.357 1.00 41.43 H new ATOM 0 HD1 TYR A 60 -2.719 9.000 -3.406 1.00 71.04 H new ATOM 0 HD2 TYR A 60 -5.002 5.581 -2.286 1.00 71.15 H new ATOM 0 HE1 TYR A 60 -3.390 10.129 -1.331 1.00 31.43 H new ATOM 0 HE2 TYR A 60 -5.678 6.709 -0.214 1.00 10.13 H new ATOM 0 HH TYR A 60 -5.538 8.530 1.031 1.00 70.22 H new ATOM 335 N SER A 61 -1.882 7.041 -6.703 1.00 53.12 N ATOM 336 CA SER A 61 -0.981 6.729 -7.806 1.00 23.43 C ATOM 337 C SER A 61 -0.056 5.571 -7.440 1.00 12.40 C ATOM 338 O SER A 61 0.372 5.443 -6.293 1.00 22.43 O ATOM 339 CB SER A 61 -0.152 7.959 -8.178 1.00 42.41 C ATOM 340 OG SER A 61 -0.113 8.142 -9.583 1.00 40.14 O ATOM 0 H SER A 61 -1.434 7.497 -5.908 1.00 53.12 H new ATOM 0 HA SER A 61 -1.585 6.433 -8.664 1.00 23.43 H new ATOM 0 HB2 SER A 61 -0.576 8.844 -7.704 1.00 42.41 H new ATOM 0 HB3 SER A 61 0.862 7.848 -7.794 1.00 42.41 H new ATOM 0 HG SER A 61 0.422 8.936 -9.795 1.00 40.14 H new ATOM 346 N SER A 62 0.246 4.731 -8.424 1.00 25.11 N ATOM 347 CA SER A 62 1.117 3.582 -8.207 1.00 20.12 C ATOM 348 C SER A 62 2.473 4.022 -7.663 1.00 23.10 C ATOM 349 O SER A 62 3.018 3.403 -6.748 1.00 43.24 O ATOM 350 CB SER A 62 1.305 2.804 -9.511 1.00 1.33 C ATOM 351 OG SER A 62 2.369 3.343 -10.277 1.00 12.13 O ATOM 0 H SER A 62 -0.099 4.824 -9.379 1.00 25.11 H new ATOM 0 HA SER A 62 0.644 2.933 -7.470 1.00 20.12 H new ATOM 0 HB2 SER A 62 1.508 1.757 -9.287 1.00 1.33 H new ATOM 0 HB3 SER A 62 0.383 2.833 -10.092 1.00 1.33 H new ATOM 0 HG SER A 62 2.470 2.828 -11.104 1.00 12.13 H new ATOM 357 N SER A 63 3.012 5.094 -8.233 1.00 45.25 N ATOM 358 CA SER A 63 4.306 5.617 -7.810 1.00 62.40 C ATOM 359 C SER A 63 4.258 6.073 -6.355 1.00 41.33 C ATOM 360 O SER A 63 5.291 6.199 -5.699 1.00 72.21 O ATOM 361 CB SER A 63 4.730 6.780 -8.708 1.00 54.20 C ATOM 362 OG SER A 63 5.284 6.310 -9.924 1.00 71.41 O ATOM 0 H SER A 63 2.573 5.618 -8.990 1.00 45.25 H new ATOM 0 HA SER A 63 5.040 4.816 -7.898 1.00 62.40 H new ATOM 0 HB2 SER A 63 3.869 7.414 -8.918 1.00 54.20 H new ATOM 0 HB3 SER A 63 5.461 7.398 -8.187 1.00 54.20 H new ATOM 0 HG SER A 63 5.545 7.073 -10.481 1.00 71.41 H new ATOM 368 N GLU A 64 3.049 6.321 -5.859 1.00 4.55 N ATOM 369 CA GLU A 64 2.866 6.765 -4.482 1.00 44.24 C ATOM 370 C GLU A 64 2.762 5.573 -3.535 1.00 45.21 C ATOM 371 O GLU A 64 3.513 5.472 -2.564 1.00 12.41 O ATOM 372 CB GLU A 64 1.611 7.634 -4.366 1.00 41.13 C ATOM 373 CG GLU A 64 1.611 8.832 -5.301 1.00 64.31 C ATOM 374 CD GLU A 64 1.738 10.149 -4.561 1.00 72.20 C ATOM 375 OE1 GLU A 64 0.773 10.533 -3.866 1.00 42.32 O ATOM 376 OE2 GLU A 64 2.800 10.796 -4.676 1.00 34.42 O ATOM 0 H GLU A 64 2.183 6.222 -6.389 1.00 4.55 H new ATOM 0 HA GLU A 64 3.737 7.357 -4.199 1.00 44.24 H new ATOM 0 HB2 GLU A 64 0.734 7.021 -4.575 1.00 41.13 H new ATOM 0 HB3 GLU A 64 1.517 7.986 -3.339 1.00 41.13 H new ATOM 0 HG2 GLU A 64 2.435 8.736 -6.008 1.00 64.31 H new ATOM 0 HG3 GLU A 64 0.689 8.834 -5.883 1.00 64.31 H new ATOM 384 N ILE A 65 1.828 4.674 -3.824 1.00 41.25 N ATOM 385 CA ILE A 65 1.627 3.490 -2.999 1.00 61.55 C ATOM 386 C ILE A 65 2.837 2.564 -3.061 1.00 41.34 C ATOM 387 O ILE A 65 3.381 2.166 -2.031 1.00 60.41 O ATOM 388 CB ILE A 65 0.374 2.707 -3.435 1.00 50.03 C ATOM 389 CG1 ILE A 65 -0.869 3.592 -3.327 1.00 55.24 C ATOM 390 CG2 ILE A 65 0.212 1.453 -2.590 1.00 23.43 C ATOM 391 CD1 ILE A 65 -1.989 3.177 -4.257 1.00 15.34 C ATOM 0 H ILE A 65 1.198 4.743 -4.623 1.00 41.25 H new ATOM 0 HA ILE A 65 1.491 3.838 -1.975 1.00 61.55 H new ATOM 0 HB ILE A 65 0.495 2.407 -4.476 1.00 50.03 H new ATOM 0 HG12 ILE A 65 -1.233 3.569 -2.300 1.00 55.24 H new ATOM 0 HG13 ILE A 65 -0.591 4.623 -3.544 1.00 55.24 H new ATOM 0 HG21 ILE A 65 -0.678 0.911 -2.910 1.00 23.43 H new ATOM 0 HG22 ILE A 65 1.088 0.816 -2.712 1.00 23.43 H new ATOM 0 HG23 ILE A 65 0.109 1.732 -1.541 1.00 23.43 H new ATOM 0 HD11 ILE A 65 -2.838 3.848 -4.127 1.00 15.34 H new ATOM 0 HD12 ILE A 65 -1.642 3.227 -5.289 1.00 15.34 H new ATOM 0 HD13 ILE A 65 -2.295 2.157 -4.026 1.00 15.34 H new ATOM 403 N HIS A 66 3.256 2.227 -4.277 1.00 2.50 N ATOM 404 CA HIS A 66 4.406 1.351 -4.474 1.00 74.22 C ATOM 405 C HIS A 66 5.646 1.920 -3.793 1.00 41.21 C ATOM 406 O HIS A 66 6.546 1.178 -3.402 1.00 4.21 O ATOM 407 CB HIS A 66 4.672 1.153 -5.967 1.00 3.32 C ATOM 408 CG HIS A 66 5.281 -0.175 -6.296 1.00 20.02 C ATOM 409 ND1 HIS A 66 6.486 -0.600 -5.777 1.00 61.15 N ATOM 410 CD2 HIS A 66 4.842 -1.176 -7.094 1.00 4.33 C ATOM 411 CE1 HIS A 66 6.764 -1.804 -6.245 1.00 1.41 C ATOM 412 NE2 HIS A 66 5.782 -2.177 -7.046 1.00 24.25 N ATOM 0 H HIS A 66 2.817 2.547 -5.140 1.00 2.50 H new ATOM 0 HA HIS A 66 4.178 0.385 -4.023 1.00 74.22 H new ATOM 0 HB2 HIS A 66 3.734 1.258 -6.512 1.00 3.32 H new ATOM 0 HB3 HIS A 66 5.335 1.944 -6.318 1.00 3.32 H new ATOM 0 HD1 HIS A 66 7.071 -0.068 -5.133 1.00 61.15 H new ATOM 0 HD2 HIS A 66 3.924 -1.186 -7.663 1.00 4.33 H new ATOM 0 HE1 HIS A 66 7.644 -2.385 -6.012 1.00 1.41 H new ATOM 421 N SER A 67 5.687 3.242 -3.657 1.00 41.32 N ATOM 422 CA SER A 67 6.820 3.911 -3.028 1.00 74.04 C ATOM 423 C SER A 67 6.799 3.709 -1.516 1.00 33.11 C ATOM 424 O SER A 67 7.704 3.100 -0.947 1.00 2.13 O ATOM 425 CB SER A 67 6.801 5.406 -3.355 1.00 63.40 C ATOM 426 OG SER A 67 7.491 6.152 -2.367 1.00 1.11 O ATOM 0 H SER A 67 4.949 3.871 -3.974 1.00 41.32 H new ATOM 0 HA SER A 67 7.736 3.471 -3.423 1.00 74.04 H new ATOM 0 HB2 SER A 67 7.260 5.574 -4.329 1.00 63.40 H new ATOM 0 HB3 SER A 67 5.770 5.754 -3.424 1.00 63.40 H new ATOM 0 HG SER A 67 7.466 7.104 -2.599 1.00 1.11 H new ATOM 432 N VAL A 68 5.757 4.225 -0.871 1.00 0.50 N ATOM 433 CA VAL A 68 5.616 4.102 0.575 1.00 30.14 C ATOM 434 C VAL A 68 5.744 2.649 1.017 1.00 4.21 C ATOM 435 O VAL A 68 6.339 2.355 2.055 1.00 21.32 O ATOM 436 CB VAL A 68 4.262 4.656 1.056 1.00 32.32 C ATOM 437 CG1 VAL A 68 4.209 6.166 0.880 1.00 20.34 C ATOM 438 CG2 VAL A 68 3.117 3.984 0.312 1.00 42.14 C ATOM 0 H VAL A 68 4.999 4.732 -1.327 1.00 0.50 H new ATOM 0 HA VAL A 68 6.419 4.687 1.023 1.00 30.14 H new ATOM 0 HB VAL A 68 4.155 4.434 2.118 1.00 32.32 H new ATOM 0 HG11 VAL A 68 3.245 6.539 1.225 1.00 20.34 H new ATOM 0 HG12 VAL A 68 5.006 6.628 1.462 1.00 20.34 H new ATOM 0 HG13 VAL A 68 4.338 6.414 -0.174 1.00 20.34 H new ATOM 0 HG21 VAL A 68 2.168 4.387 0.664 1.00 42.14 H new ATOM 0 HG22 VAL A 68 3.217 4.173 -0.757 1.00 42.14 H new ATOM 0 HG23 VAL A 68 3.145 2.910 0.495 1.00 42.14 H new ATOM 448 N LEU A 69 5.184 1.742 0.223 1.00 1.43 N ATOM 449 CA LEU A 69 5.237 0.318 0.533 1.00 54.21 C ATOM 450 C LEU A 69 6.665 -0.210 0.431 1.00 53.44 C ATOM 451 O LEU A 69 7.040 -1.149 1.131 1.00 52.21 O ATOM 452 CB LEU A 69 4.324 -0.463 -0.414 1.00 72.34 C ATOM 453 CG LEU A 69 2.946 -0.834 0.136 1.00 50.14 C ATOM 454 CD1 LEU A 69 3.078 -1.827 1.279 1.00 34.34 C ATOM 455 CD2 LEU A 69 2.201 0.412 0.592 1.00 31.54 C ATOM 0 H LEU A 69 4.689 1.968 -0.639 1.00 1.43 H new ATOM 0 HA LEU A 69 4.892 0.181 1.558 1.00 54.21 H new ATOM 0 HB2 LEU A 69 4.185 0.126 -1.320 1.00 72.34 H new ATOM 0 HB3 LEU A 69 4.836 -1.380 -0.706 1.00 72.34 H new ATOM 0 HG LEU A 69 2.372 -1.304 -0.662 1.00 50.14 H new ATOM 0 HD11 LEU A 69 2.088 -2.079 1.658 1.00 34.34 H new ATOM 0 HD12 LEU A 69 3.571 -2.731 0.921 1.00 34.34 H new ATOM 0 HD13 LEU A 69 3.670 -1.384 2.079 1.00 34.34 H new ATOM 0 HD21 LEU A 69 1.223 0.129 0.980 1.00 31.54 H new ATOM 0 HD22 LEU A 69 2.772 0.911 1.375 1.00 31.54 H new ATOM 0 HD23 LEU A 69 2.074 1.090 -0.252 1.00 31.54 H new ATOM 467 N GLN A 70 7.455 0.404 -0.444 1.00 12.25 N ATOM 468 CA GLN A 70 8.842 -0.004 -0.635 1.00 43.55 C ATOM 469 C GLN A 70 9.725 0.522 0.492 1.00 53.22 C ATOM 470 O GLN A 70 10.651 -0.155 0.938 1.00 42.25 O ATOM 471 CB GLN A 70 9.362 0.499 -1.983 1.00 45.43 C ATOM 472 CG GLN A 70 10.858 0.306 -2.168 1.00 40.44 C ATOM 473 CD GLN A 70 11.275 -1.149 -2.080 1.00 13.12 C ATOM 474 OE1 GLN A 70 10.646 -2.023 -2.676 1.00 73.41 O ATOM 475 NE2 GLN A 70 12.340 -1.416 -1.333 1.00 14.11 N ATOM 0 H GLN A 70 7.159 1.184 -1.031 1.00 12.25 H new ATOM 0 HA GLN A 70 8.879 -1.093 -0.622 1.00 43.55 H new ATOM 0 HB2 GLN A 70 8.835 -0.021 -2.783 1.00 45.43 H new ATOM 0 HB3 GLN A 70 9.126 1.558 -2.082 1.00 45.43 H new ATOM 0 HG2 GLN A 70 11.155 0.707 -3.137 1.00 40.44 H new ATOM 0 HG3 GLN A 70 11.391 0.879 -1.409 1.00 40.44 H new ATOM 0 HE21 GLN A 70 12.831 -0.660 -0.856 1.00 14.11 H new ATOM 0 HE22 GLN A 70 12.667 -2.377 -1.236 1.00 14.11 H new ATOM 484 N LYS A 71 9.432 1.736 0.949 1.00 61.12 N ATOM 485 CA LYS A 71 10.198 2.354 2.026 1.00 73.45 C ATOM 486 C LYS A 71 9.762 1.811 3.383 1.00 43.54 C ATOM 487 O LYS A 71 10.547 1.786 4.333 1.00 72.02 O ATOM 488 CB LYS A 71 10.026 3.874 1.993 1.00 63.53 C ATOM 489 CG LYS A 71 11.137 4.627 2.705 1.00 71.30 C ATOM 490 CD LYS A 71 10.900 6.127 2.678 1.00 45.21 C ATOM 491 CE LYS A 71 11.291 6.729 1.337 1.00 1.53 C ATOM 492 NZ LYS A 71 12.763 6.929 1.227 1.00 13.05 N ATOM 0 H LYS A 71 8.670 2.311 0.590 1.00 61.12 H new ATOM 0 HA LYS A 71 11.250 2.110 1.878 1.00 73.45 H new ATOM 0 HB2 LYS A 71 9.982 4.204 0.955 1.00 63.53 H new ATOM 0 HB3 LYS A 71 9.071 4.133 2.451 1.00 63.53 H new ATOM 0 HG2 LYS A 71 11.204 4.287 3.738 1.00 71.30 H new ATOM 0 HG3 LYS A 71 12.093 4.400 2.232 1.00 71.30 H new ATOM 0 HD2 LYS A 71 9.849 6.334 2.878 1.00 45.21 H new ATOM 0 HD3 LYS A 71 11.475 6.602 3.473 1.00 45.21 H new ATOM 0 HE2 LYS A 71 10.952 6.076 0.533 1.00 1.53 H new ATOM 0 HE3 LYS A 71 10.784 7.685 1.206 1.00 1.53 H new ATOM 0 HZ1 LYS A 71 12.989 7.341 0.299 1.00 13.05 H new ATOM 0 HZ2 LYS A 71 13.083 7.573 1.979 1.00 13.05 H new ATOM 0 HZ3 LYS A 71 13.246 6.013 1.326 1.00 13.05 H new ATOM 506 N LEU A 72 8.510 1.377 3.468 1.00 20.43 N ATOM 507 CA LEU A 72 7.971 0.833 4.710 1.00 64.32 C ATOM 508 C LEU A 72 8.253 -0.662 4.817 1.00 5.01 C ATOM 509 O LEU A 72 8.888 -1.118 5.767 1.00 12.13 O ATOM 510 CB LEU A 72 6.465 1.086 4.790 1.00 65.20 C ATOM 511 CG LEU A 72 6.042 2.491 5.221 1.00 45.23 C ATOM 512 CD1 LEU A 72 4.779 2.916 4.491 1.00 54.01 C ATOM 513 CD2 LEU A 72 5.835 2.547 6.727 1.00 22.33 C ATOM 0 H LEU A 72 7.848 1.391 2.692 1.00 20.43 H new ATOM 0 HA LEU A 72 8.462 1.338 5.542 1.00 64.32 H new ATOM 0 HB2 LEU A 72 6.030 0.881 3.812 1.00 65.20 H new ATOM 0 HB3 LEU A 72 6.033 0.368 5.487 1.00 65.20 H new ATOM 0 HG LEU A 72 6.839 3.186 4.958 1.00 45.23 H new ATOM 0 HD11 LEU A 72 4.494 3.918 4.811 1.00 54.01 H new ATOM 0 HD12 LEU A 72 4.962 2.916 3.417 1.00 54.01 H new ATOM 0 HD13 LEU A 72 3.974 2.219 4.721 1.00 54.01 H new ATOM 0 HD21 LEU A 72 5.534 3.554 7.016 1.00 22.33 H new ATOM 0 HD22 LEU A 72 5.057 1.840 7.014 1.00 22.33 H new ATOM 0 HD23 LEU A 72 6.765 2.287 7.232 1.00 22.33 H new ATOM 525 N GLY A 73 7.779 -1.422 3.834 1.00 52.45 N ATOM 526 CA GLY A 73 7.993 -2.857 3.835 1.00 53.13 C ATOM 527 C GLY A 73 6.773 -3.623 4.306 1.00 53.02 C ATOM 528 O GLY A 73 5.648 -3.326 3.900 1.00 2.33 O ATOM 0 H GLY A 73 7.250 -1.069 3.037 1.00 52.45 H new ATOM 0 HA2 GLY A 73 8.257 -3.183 2.829 1.00 53.13 H new ATOM 0 HA3 GLY A 73 8.839 -3.095 4.480 1.00 53.13 H new ATOM 532 N VAL A 74 6.993 -4.615 5.164 1.00 54.14 N ATOM 533 CA VAL A 74 5.903 -5.427 5.690 1.00 54.31 C ATOM 534 C VAL A 74 5.470 -4.940 7.068 1.00 74.01 C ATOM 535 O VAL A 74 4.359 -5.223 7.516 1.00 74.12 O ATOM 536 CB VAL A 74 6.304 -6.911 5.785 1.00 53.24 C ATOM 537 CG1 VAL A 74 5.118 -7.757 6.222 1.00 64.41 C ATOM 538 CG2 VAL A 74 6.856 -7.399 4.454 1.00 3.20 C ATOM 0 H VAL A 74 7.917 -4.875 5.509 1.00 54.14 H new ATOM 0 HA VAL A 74 5.070 -5.327 4.994 1.00 54.31 H new ATOM 0 HB VAL A 74 7.088 -7.011 6.536 1.00 53.24 H new ATOM 0 HG11 VAL A 74 5.420 -8.803 6.284 1.00 64.41 H new ATOM 0 HG12 VAL A 74 4.772 -7.421 7.199 1.00 64.41 H new ATOM 0 HG13 VAL A 74 4.311 -7.655 5.496 1.00 64.41 H new ATOM 0 HG21 VAL A 74 7.134 -8.449 4.539 1.00 3.20 H new ATOM 0 HG22 VAL A 74 6.095 -7.286 3.681 1.00 3.20 H new ATOM 0 HG23 VAL A 74 7.734 -6.811 4.187 1.00 3.20 H new ATOM 548 N GLN A 75 6.354 -4.205 7.735 1.00 65.40 N ATOM 549 CA GLN A 75 6.063 -3.679 9.063 1.00 43.44 C ATOM 550 C GLN A 75 4.944 -2.644 9.004 1.00 11.21 C ATOM 551 O GLN A 75 4.243 -2.417 9.990 1.00 61.13 O ATOM 552 CB GLN A 75 7.319 -3.055 9.674 1.00 74.15 C ATOM 553 CG GLN A 75 7.853 -1.868 8.888 1.00 23.31 C ATOM 554 CD GLN A 75 9.255 -1.474 9.309 1.00 41.44 C ATOM 555 OE1 GLN A 75 10.122 -2.328 9.501 1.00 40.22 O ATOM 556 NE2 GLN A 75 9.486 -0.175 9.455 1.00 43.14 N ATOM 0 H GLN A 75 7.277 -3.960 7.377 1.00 65.40 H new ATOM 0 HA GLN A 75 5.735 -4.507 9.691 1.00 43.44 H new ATOM 0 HB2 GLN A 75 7.097 -2.736 10.692 1.00 74.15 H new ATOM 0 HB3 GLN A 75 8.097 -3.816 9.741 1.00 74.15 H new ATOM 0 HG2 GLN A 75 7.851 -2.110 7.825 1.00 23.31 H new ATOM 0 HG3 GLN A 75 7.185 -1.018 9.022 1.00 23.31 H new ATOM 0 HE21 GLN A 75 8.739 0.498 9.286 1.00 43.14 H new ATOM 0 HE22 GLN A 75 10.411 0.150 9.737 1.00 43.14 H new ATOM 565 N ALA A 76 4.783 -2.018 7.843 1.00 3.14 N ATOM 566 CA ALA A 76 3.749 -1.008 7.656 1.00 42.42 C ATOM 567 C ALA A 76 2.379 -1.543 8.060 1.00 64.42 C ATOM 568 O ALA A 76 2.179 -2.755 8.152 1.00 40.13 O ATOM 569 CB ALA A 76 3.728 -0.536 6.209 1.00 1.24 C ATOM 0 H ALA A 76 5.356 -2.193 7.017 1.00 3.14 H new ATOM 0 HA ALA A 76 3.983 -0.160 8.300 1.00 42.42 H new ATOM 0 HB1 ALA A 76 2.951 0.218 6.084 1.00 1.24 H new ATOM 0 HB2 ALA A 76 4.696 -0.106 5.953 1.00 1.24 H new ATOM 0 HB3 ALA A 76 3.522 -1.382 5.553 1.00 1.24 H new ATOM 575 N ASP A 77 1.441 -0.634 8.300 1.00 61.14 N ATOM 576 CA ASP A 77 0.090 -1.016 8.694 1.00 20.20 C ATOM 577 C ASP A 77 -0.947 -0.152 7.983 1.00 15.34 C ATOM 578 O ASP A 77 -0.602 0.756 7.227 1.00 53.44 O ATOM 579 CB ASP A 77 -0.076 -0.893 10.209 1.00 34.43 C ATOM 580 CG ASP A 77 0.163 -2.207 10.926 1.00 2.21 C ATOM 581 OD1 ASP A 77 1.034 -2.981 10.474 1.00 42.53 O ATOM 582 OD2 ASP A 77 -0.519 -2.462 11.940 1.00 72.24 O ATOM 0 H ASP A 77 1.591 0.372 8.229 1.00 61.14 H new ATOM 0 HA ASP A 77 -0.068 -2.055 8.403 1.00 20.20 H new ATOM 0 HB2 ASP A 77 0.619 -0.144 10.588 1.00 34.43 H new ATOM 0 HB3 ASP A 77 -1.082 -0.537 10.434 1.00 34.43 H new ATOM 588 N THR A 78 -2.222 -0.440 8.232 1.00 4.41 N ATOM 589 CA THR A 78 -3.309 0.308 7.616 1.00 42.42 C ATOM 590 C THR A 78 -3.169 1.803 7.884 1.00 71.24 C ATOM 591 O THR A 78 -3.179 2.612 6.958 1.00 13.13 O ATOM 592 CB THR A 78 -4.680 -0.168 8.130 1.00 54.10 C ATOM 593 OG1 THR A 78 -4.871 -1.550 7.810 1.00 61.11 O ATOM 594 CG2 THR A 78 -5.803 0.658 7.520 1.00 13.42 C ATOM 0 H THR A 78 -2.526 -1.187 8.857 1.00 4.41 H new ATOM 0 HA THR A 78 -3.249 0.127 6.543 1.00 42.42 H new ATOM 0 HB THR A 78 -4.702 -0.040 9.212 1.00 54.10 H new ATOM 0 HG1 THR A 78 -5.745 -1.845 8.142 1.00 61.11 H new ATOM 0 HG21 THR A 78 -6.762 0.303 7.898 1.00 13.42 H new ATOM 0 HG22 THR A 78 -5.672 1.706 7.790 1.00 13.42 H new ATOM 0 HG23 THR A 78 -5.781 0.557 6.435 1.00 13.42 H new ATOM 602 N ASN A 79 -3.037 2.161 9.157 1.00 35.41 N ATOM 603 CA ASN A 79 -2.896 3.559 9.547 1.00 5.11 C ATOM 604 C ASN A 79 -1.620 4.160 8.962 1.00 72.32 C ATOM 605 O ASN A 79 -1.637 5.257 8.403 1.00 23.13 O ATOM 606 CB ASN A 79 -2.880 3.686 11.071 1.00 43.22 C ATOM 607 CG ASN A 79 -2.383 5.042 11.534 1.00 51.55 C ATOM 608 OD1 ASN A 79 -1.185 5.241 11.735 1.00 4.53 O ATOM 609 ND2 ASN A 79 -3.304 5.984 11.703 1.00 53.12 N ATOM 0 H ASN A 79 -3.025 1.502 9.936 1.00 35.41 H new ATOM 0 HA ASN A 79 -3.751 4.109 9.153 1.00 5.11 H new ATOM 0 HB2 ASN A 79 -3.886 3.520 11.457 1.00 43.22 H new ATOM 0 HB3 ASN A 79 -2.244 2.906 11.491 1.00 43.22 H new ATOM 0 HD21 ASN A 79 -3.029 6.917 12.011 1.00 53.12 H new ATOM 0 HD22 ASN A 79 -4.286 5.775 11.525 1.00 53.12 H new ATOM 616 N THR A 80 -0.515 3.433 9.094 1.00 11.22 N ATOM 617 CA THR A 80 0.768 3.893 8.580 1.00 51.00 C ATOM 618 C THR A 80 0.658 4.309 7.117 1.00 41.40 C ATOM 619 O THR A 80 1.006 5.432 6.753 1.00 41.14 O ATOM 620 CB THR A 80 1.849 2.804 8.712 1.00 60.24 C ATOM 621 OG1 THR A 80 1.553 1.951 9.823 1.00 11.32 O ATOM 622 CG2 THR A 80 3.225 3.425 8.895 1.00 44.41 C ATOM 0 H THR A 80 -0.483 2.523 9.553 1.00 11.22 H new ATOM 0 HA THR A 80 1.057 4.756 9.179 1.00 51.00 H new ATOM 0 HB THR A 80 1.853 2.216 7.794 1.00 60.24 H new ATOM 0 HG1 THR A 80 2.244 1.261 9.899 1.00 11.32 H new ATOM 0 HG21 THR A 80 3.971 2.636 8.986 1.00 44.41 H new ATOM 0 HG22 THR A 80 3.460 4.049 8.033 1.00 44.41 H new ATOM 0 HG23 THR A 80 3.231 4.036 9.798 1.00 44.41 H new ATOM 630 N VAL A 81 0.170 3.396 6.283 1.00 40.32 N ATOM 631 CA VAL A 81 0.012 3.670 4.859 1.00 51.32 C ATOM 632 C VAL A 81 -0.762 4.963 4.631 1.00 50.50 C ATOM 633 O VAL A 81 -0.294 5.865 3.934 1.00 33.01 O ATOM 634 CB VAL A 81 -0.717 2.516 4.143 1.00 3.04 C ATOM 635 CG1 VAL A 81 -0.795 2.780 2.648 1.00 52.31 C ATOM 636 CG2 VAL A 81 -0.021 1.193 4.424 1.00 4.32 C ATOM 0 H VAL A 81 -0.122 2.461 6.568 1.00 40.32 H new ATOM 0 HA VAL A 81 1.014 3.771 4.443 1.00 51.32 H new ATOM 0 HB VAL A 81 -1.734 2.455 4.530 1.00 3.04 H new ATOM 0 HG11 VAL A 81 -1.313 1.955 2.159 1.00 52.31 H new ATOM 0 HG12 VAL A 81 -1.340 3.707 2.470 1.00 52.31 H new ATOM 0 HG13 VAL A 81 0.212 2.868 2.241 1.00 52.31 H new ATOM 0 HG21 VAL A 81 -0.548 0.388 3.911 1.00 4.32 H new ATOM 0 HG22 VAL A 81 1.007 1.239 4.065 1.00 4.32 H new ATOM 0 HG23 VAL A 81 -0.023 1.002 5.497 1.00 4.32 H new ATOM 646 N LEU A 82 -1.949 5.049 5.222 1.00 22.52 N ATOM 647 CA LEU A 82 -2.789 6.234 5.084 1.00 22.53 C ATOM 648 C LEU A 82 -2.029 7.491 5.496 1.00 72.23 C ATOM 649 O LEU A 82 -2.040 8.495 4.786 1.00 51.25 O ATOM 650 CB LEU A 82 -4.053 6.088 5.932 1.00 73.51 C ATOM 651 CG LEU A 82 -4.881 4.824 5.691 1.00 3.32 C ATOM 652 CD1 LEU A 82 -5.542 4.364 6.981 1.00 53.41 C ATOM 653 CD2 LEU A 82 -5.925 5.068 4.611 1.00 12.33 C ATOM 0 H LEU A 82 -2.351 4.312 5.801 1.00 22.52 H new ATOM 0 HA LEU A 82 -3.071 6.329 4.035 1.00 22.53 H new ATOM 0 HB2 LEU A 82 -3.766 6.115 6.983 1.00 73.51 H new ATOM 0 HB3 LEU A 82 -4.689 6.955 5.752 1.00 73.51 H new ATOM 0 HG LEU A 82 -4.212 4.034 5.349 1.00 3.32 H new ATOM 0 HD11 LEU A 82 -6.126 3.464 6.790 1.00 53.41 H new ATOM 0 HD12 LEU A 82 -4.776 4.148 7.725 1.00 53.41 H new ATOM 0 HD13 LEU A 82 -6.198 5.150 7.354 1.00 53.41 H new ATOM 0 HD21 LEU A 82 -6.504 4.158 4.453 1.00 12.33 H new ATOM 0 HD22 LEU A 82 -6.591 5.873 4.924 1.00 12.33 H new ATOM 0 HD23 LEU A 82 -5.429 5.348 3.682 1.00 12.33 H new ATOM 665 N GLY A 83 -1.369 7.427 6.648 1.00 73.32 N ATOM 666 CA GLY A 83 -0.611 8.566 7.133 1.00 35.43 C ATOM 667 C GLY A 83 0.413 9.051 6.128 1.00 23.32 C ATOM 668 O GLY A 83 0.538 10.252 5.890 1.00 35.41 O ATOM 0 H GLY A 83 -1.345 6.607 7.254 1.00 73.32 H new ATOM 0 HA2 GLY A 83 -1.296 9.380 7.371 1.00 35.43 H new ATOM 0 HA3 GLY A 83 -0.106 8.294 8.060 1.00 35.43 H new ATOM 672 N GLU A 84 1.151 8.115 5.539 1.00 64.32 N ATOM 673 CA GLU A 84 2.173 8.455 4.555 1.00 1.04 C ATOM 674 C GLU A 84 1.583 9.297 3.427 1.00 21.32 C ATOM 675 O GLU A 84 2.215 10.236 2.943 1.00 42.42 O ATOM 676 CB GLU A 84 2.805 7.185 3.982 1.00 1.13 C ATOM 677 CG GLU A 84 3.543 6.352 5.017 1.00 41.14 C ATOM 678 CD GLU A 84 4.935 6.881 5.305 1.00 3.22 C ATOM 679 OE1 GLU A 84 5.237 8.018 4.883 1.00 20.44 O ATOM 680 OE2 GLU A 84 5.723 6.159 5.950 1.00 31.21 O ATOM 0 H GLU A 84 1.061 7.116 5.726 1.00 64.32 H new ATOM 0 HA GLU A 84 2.944 9.040 5.057 1.00 1.04 H new ATOM 0 HB2 GLU A 84 2.025 6.575 3.526 1.00 1.13 H new ATOM 0 HB3 GLU A 84 3.499 7.461 3.188 1.00 1.13 H new ATOM 0 HG2 GLU A 84 2.966 6.334 5.942 1.00 41.14 H new ATOM 0 HG3 GLU A 84 3.615 5.323 4.666 1.00 41.14 H new ATOM 688 N LEU A 85 0.369 8.953 3.013 1.00 23.13 N ATOM 689 CA LEU A 85 -0.308 9.675 1.941 1.00 22.24 C ATOM 690 C LEU A 85 -0.900 10.983 2.456 1.00 61.12 C ATOM 691 O LEU A 85 -1.016 11.958 1.714 1.00 54.11 O ATOM 692 CB LEU A 85 -1.410 8.808 1.332 1.00 63.45 C ATOM 693 CG LEU A 85 -1.004 7.389 0.933 1.00 74.21 C ATOM 694 CD1 LEU A 85 -2.234 6.548 0.627 1.00 54.23 C ATOM 695 CD2 LEU A 85 -0.065 7.419 -0.263 1.00 63.54 C ATOM 0 H LEU A 85 -0.167 8.178 3.403 1.00 23.13 H new ATOM 0 HA LEU A 85 0.428 9.908 1.172 1.00 22.24 H new ATOM 0 HB2 LEU A 85 -2.230 8.742 2.047 1.00 63.45 H new ATOM 0 HB3 LEU A 85 -1.798 9.316 0.449 1.00 63.45 H new ATOM 0 HG LEU A 85 -0.477 6.933 1.771 1.00 74.21 H new ATOM 0 HD11 LEU A 85 -1.925 5.541 0.345 1.00 54.23 H new ATOM 0 HD12 LEU A 85 -2.870 6.498 1.511 1.00 54.23 H new ATOM 0 HD13 LEU A 85 -2.789 7.001 -0.194 1.00 54.23 H new ATOM 0 HD21 LEU A 85 0.213 6.400 -0.533 1.00 63.54 H new ATOM 0 HD22 LEU A 85 -0.566 7.894 -1.107 1.00 63.54 H new ATOM 0 HD23 LEU A 85 0.831 7.984 -0.008 1.00 63.54 H new ATOM 707 N VAL A 86 -1.271 10.997 3.733 1.00 45.02 N ATOM 708 CA VAL A 86 -1.848 12.187 4.348 1.00 63.35 C ATOM 709 C VAL A 86 -0.780 13.243 4.610 1.00 1.20 C ATOM 710 O VAL A 86 -1.064 14.441 4.616 1.00 23.11 O ATOM 711 CB VAL A 86 -2.555 11.846 5.674 1.00 60.15 C ATOM 712 CG1 VAL A 86 -3.121 13.103 6.315 1.00 10.21 C ATOM 713 CG2 VAL A 86 -3.649 10.816 5.444 1.00 61.44 C ATOM 0 H VAL A 86 -1.182 10.198 4.361 1.00 45.02 H new ATOM 0 HA VAL A 86 -2.581 12.583 3.645 1.00 63.35 H new ATOM 0 HB VAL A 86 -1.822 11.417 6.357 1.00 60.15 H new ATOM 0 HG11 VAL A 86 -3.617 12.843 7.250 1.00 10.21 H new ATOM 0 HG12 VAL A 86 -2.312 13.805 6.516 1.00 10.21 H new ATOM 0 HG13 VAL A 86 -3.841 13.564 5.639 1.00 10.21 H new ATOM 0 HG21 VAL A 86 -4.138 10.587 6.391 1.00 61.44 H new ATOM 0 HG22 VAL A 86 -4.383 11.215 4.744 1.00 61.44 H new ATOM 0 HG23 VAL A 86 -3.212 9.907 5.032 1.00 61.44 H new