USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 583 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -0.204 (180deg=-1.13) USER MOD Single : A 23 HIS : no HD1:sc= -7.77! C(o=-7.8!,f=-11!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 36 GLN :FLIP amide:sc= -3.95! C(o=-5.6!,f=-3.9!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -7.25! C(o=-7.3!,f=-15!) USER MOD Single : A 66 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.52) USER MOD Single : A 67 MET CE :methyl -148:sc= -2.71 (180deg=-5.17) USER MOD Single : A 68 ASN : amide:sc= -0.0375 X(o=-0.038,f=-0.53) USER MOD Single : A 70 SER OG : rot -150:sc= -0.692 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.710 0.726 4.356 1.00 0.00 N ATOM 144 CA ARG A 6 -18.217 0.511 3.001 1.00 0.00 C ATOM 145 C ARG A 6 -16.696 0.618 2.953 1.00 0.00 C ATOM 146 O ARG A 6 -16.031 -0.138 2.244 1.00 0.00 O ATOM 147 CB ARG A 6 -18.841 1.525 2.041 1.00 0.00 C ATOM 148 CG ARG A 6 -20.361 1.492 2.024 1.00 0.00 C ATOM 149 CD ARG A 6 -20.944 2.858 1.696 1.00 0.00 C ATOM 150 NE ARG A 6 -21.065 3.701 2.882 1.00 0.00 N ATOM 151 CZ ARG A 6 -21.886 3.435 3.892 1.00 0.00 C ATOM 152 NH1 ARG A 6 -22.654 2.355 3.859 1.00 0.00 N ATOM 153 NH2 ARG A 6 -21.939 4.250 4.937 1.00 0.00 N ATOM 0 HA ARG A 6 -18.503 -0.494 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.511 2.526 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.471 1.335 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.702 0.763 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.730 1.161 2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.311 3.355 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -21.925 2.733 1.239 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.488 4.540 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.615 1.726 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -23.284 2.153 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -21.349 5.082 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -22.570 4.045 5.712 1.00 0.00 H new ATOM 167 N VAL A 7 -16.150 1.564 3.712 1.00 0.00 N ATOM 168 CA VAL A 7 -14.707 1.770 3.756 1.00 0.00 C ATOM 169 C VAL A 7 -14.023 0.691 4.587 1.00 0.00 C ATOM 170 O VAL A 7 -14.080 0.710 5.818 1.00 0.00 O ATOM 171 CB VAL A 7 -14.356 3.152 4.339 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.865 3.423 4.209 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.166 4.241 3.653 1.00 0.00 C ATOM 0 H VAL A 7 -16.685 2.199 4.304 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.347 1.715 2.729 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.611 3.155 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.636 4.404 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.308 2.659 4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.582 3.401 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.905 5.210 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.945 4.241 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.229 4.053 3.804 1.00 0.00 H new ATOM 183 N LEU A 8 -13.376 -0.250 3.908 1.00 0.00 N ATOM 184 CA LEU A 8 -12.679 -1.339 4.584 1.00 0.00 C ATOM 185 C LEU A 8 -11.239 -0.949 4.902 1.00 0.00 C ATOM 186 O LEU A 8 -10.581 -0.269 4.114 1.00 0.00 O ATOM 187 CB LEU A 8 -12.699 -2.599 3.717 1.00 0.00 C ATOM 188 CG LEU A 8 -14.051 -2.973 3.108 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.938 -4.263 2.310 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.107 -3.108 4.195 1.00 0.00 C ATOM 0 H LEU A 8 -13.319 -0.281 2.890 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.196 -1.542 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.981 -2.470 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.351 -3.437 4.321 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.356 -2.175 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.910 -4.514 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.213 -4.132 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.611 -5.069 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.062 -3.374 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.808 -3.886 4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.208 -2.160 4.724 1.00 0.00 H new ATOM 202 N TYR A 9 -10.755 -1.385 6.059 1.00 0.00 N ATOM 203 CA TYR A 9 -9.393 -1.082 6.481 1.00 0.00 C ATOM 204 C TYR A 9 -8.466 -2.266 6.222 1.00 0.00 C ATOM 205 O TYR A 9 -8.718 -3.380 6.682 1.00 0.00 O ATOM 206 CB TYR A 9 -9.367 -0.716 7.966 1.00 0.00 C ATOM 207 CG TYR A 9 -8.037 -0.985 8.633 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.712 -2.255 9.092 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.104 0.031 8.803 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.498 -2.506 9.702 1.00 0.00 C ATOM 211 CE2 TYR A 9 -5.888 -0.210 9.411 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.589 -1.480 9.859 1.00 0.00 C ATOM 213 OH TYR A 9 -4.378 -1.725 10.465 1.00 0.00 O ATOM 0 H TYR A 9 -11.286 -1.950 6.722 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.039 -0.232 5.897 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.612 0.341 8.075 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.144 -1.278 8.484 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.421 -3.061 8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.334 1.027 8.453 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.262 -3.499 10.054 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.175 0.591 9.535 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.854 -0.897 10.496 1.00 0.00 H new ATOM 223 N VAL A 10 -7.391 -2.016 5.482 1.00 0.00 N ATOM 224 CA VAL A 10 -6.424 -3.059 5.161 1.00 0.00 C ATOM 225 C VAL A 10 -5.114 -2.842 5.910 1.00 0.00 C ATOM 226 O VAL A 10 -4.591 -1.730 5.960 1.00 0.00 O ATOM 227 CB VAL A 10 -6.135 -3.112 3.649 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.151 -4.227 3.332 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.428 -3.291 2.867 1.00 0.00 C ATOM 0 H VAL A 10 -7.168 -1.100 5.093 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.865 -4.006 5.472 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.683 -2.167 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.959 -4.249 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.216 -4.050 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.571 -5.183 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.206 -3.326 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.910 -4.221 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.096 -2.454 3.071 1.00 0.00 H new ATOM 239 N GLY A 11 -4.586 -3.916 6.492 1.00 0.00 N ATOM 240 CA GLY A 11 -3.341 -3.822 7.231 1.00 0.00 C ATOM 241 C GLY A 11 -2.382 -4.947 6.895 1.00 0.00 C ATOM 242 O GLY A 11 -2.753 -5.909 6.223 1.00 0.00 O ATOM 0 H GLY A 11 -4.999 -4.848 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.865 -2.866 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.554 -3.837 8.300 1.00 0.00 H new ATOM 246 N GLY A 12 -1.143 -4.826 7.362 1.00 0.00 N ATOM 247 CA GLY A 12 -0.146 -5.847 7.096 1.00 0.00 C ATOM 248 C GLY A 12 0.276 -5.878 5.640 1.00 0.00 C ATOM 249 O GLY A 12 0.562 -6.944 5.092 1.00 0.00 O ATOM 0 H GLY A 12 -0.812 -4.039 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.729 -5.668 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.545 -6.822 7.377 1.00 0.00 H new ATOM 253 N LEU A 13 0.315 -4.709 5.012 1.00 0.00 N ATOM 254 CA LEU A 13 0.704 -4.606 3.610 1.00 0.00 C ATOM 255 C LEU A 13 2.221 -4.530 3.470 1.00 0.00 C ATOM 256 O LEU A 13 2.947 -4.532 4.464 1.00 0.00 O ATOM 257 CB LEU A 13 0.060 -3.375 2.970 1.00 0.00 C ATOM 258 CG LEU A 13 -1.469 -3.366 2.922 1.00 0.00 C ATOM 259 CD1 LEU A 13 -1.981 -2.005 2.477 1.00 0.00 C ATOM 260 CD2 LEU A 13 -1.980 -4.459 1.995 1.00 0.00 C ATOM 0 H LEU A 13 0.082 -3.818 5.451 1.00 0.00 H new ATOM 0 HA LEU A 13 0.354 -5.501 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.392 -2.491 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.436 -3.281 1.951 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.846 -3.563 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.071 -2.018 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.645 -1.242 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.595 -1.778 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.070 -4.438 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.594 -4.293 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.643 -5.430 2.357 1.00 0.00 H new ATOM 272 N ALA A 14 2.693 -4.462 2.230 1.00 0.00 N ATOM 273 CA ALA A 14 4.124 -4.381 1.960 1.00 0.00 C ATOM 274 C ALA A 14 4.521 -2.977 1.519 1.00 0.00 C ATOM 275 O ALA A 14 3.700 -2.060 1.523 1.00 0.00 O ATOM 276 CB ALA A 14 4.520 -5.400 0.902 1.00 0.00 C ATOM 0 H ALA A 14 2.106 -4.461 1.396 1.00 0.00 H new ATOM 0 HA ALA A 14 4.656 -4.607 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.591 -5.328 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.281 -6.403 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.972 -5.200 -0.019 1.00 0.00 H new ATOM 282 N GLU A 15 5.785 -2.815 1.141 1.00 0.00 N ATOM 283 CA GLU A 15 6.290 -1.521 0.699 1.00 0.00 C ATOM 284 C GLU A 15 5.943 -1.273 -0.767 1.00 0.00 C ATOM 285 O GLU A 15 5.911 -0.130 -1.222 1.00 0.00 O ATOM 286 CB GLU A 15 7.805 -1.445 0.895 1.00 0.00 C ATOM 287 CG GLU A 15 8.517 -0.627 -0.169 1.00 0.00 C ATOM 288 CD GLU A 15 8.177 0.849 -0.095 1.00 0.00 C ATOM 289 OE1 GLU A 15 7.372 1.229 0.780 1.00 0.00 O ATOM 290 OE2 GLU A 15 8.718 1.623 -0.912 1.00 0.00 O ATOM 0 H GLU A 15 6.478 -3.564 1.132 1.00 0.00 H new ATOM 0 HA GLU A 15 5.814 -0.749 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.015 -1.013 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.213 -2.456 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.594 -0.754 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.250 -1.009 -1.154 1.00 0.00 H new ATOM 297 N GLU A 16 5.685 -2.352 -1.498 1.00 0.00 N ATOM 298 CA GLU A 16 5.342 -2.252 -2.912 1.00 0.00 C ATOM 299 C GLU A 16 3.829 -2.235 -3.105 1.00 0.00 C ATOM 300 O GLU A 16 3.335 -2.012 -4.211 1.00 0.00 O ATOM 301 CB GLU A 16 5.954 -3.418 -3.692 1.00 0.00 C ATOM 302 CG GLU A 16 7.473 -3.408 -3.710 1.00 0.00 C ATOM 303 CD GLU A 16 8.038 -2.370 -4.659 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.064 -1.178 -4.286 1.00 0.00 O ATOM 305 OE2 GLU A 16 8.455 -2.748 -5.774 1.00 0.00 O ATOM 0 H GLU A 16 5.707 -3.305 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 16 5.750 -1.316 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.610 -4.356 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.587 -3.390 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.843 -3.214 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.836 -4.394 -3.999 1.00 0.00 H new ATOM 312 N VAL A 17 3.097 -2.472 -2.021 1.00 0.00 N ATOM 313 CA VAL A 17 1.640 -2.484 -2.070 1.00 0.00 C ATOM 314 C VAL A 17 1.073 -1.081 -1.880 1.00 0.00 C ATOM 315 O VAL A 17 1.281 -0.452 -0.843 1.00 0.00 O ATOM 316 CB VAL A 17 1.050 -3.414 -0.993 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.463 -3.269 -0.933 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.445 -4.858 -1.263 1.00 0.00 C ATOM 0 H VAL A 17 3.489 -2.658 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 17 1.359 -2.857 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 17 1.457 -3.125 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.862 -3.934 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.720 -2.238 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.892 -3.531 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.020 -5.502 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.067 -5.162 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.531 -4.946 -1.251 1.00 0.00 H new ATOM 328 N ASP A 18 0.355 -0.599 -2.888 1.00 0.00 N ATOM 329 CA ASP A 18 -0.245 0.730 -2.832 1.00 0.00 C ATOM 330 C ASP A 18 -1.703 0.687 -3.278 1.00 0.00 C ATOM 331 O ASP A 18 -2.244 -0.382 -3.564 1.00 0.00 O ATOM 332 CB ASP A 18 0.542 1.705 -3.710 1.00 0.00 C ATOM 333 CG ASP A 18 1.932 1.978 -3.170 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.037 2.567 -2.073 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.914 1.603 -3.843 1.00 0.00 O ATOM 0 H ASP A 18 0.174 -1.108 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.210 1.075 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.620 1.299 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.006 2.644 -3.786 1.00 0.00 H new ATOM 340 N ASP A 19 -2.333 1.855 -3.335 1.00 0.00 N ATOM 341 CA ASP A 19 -3.729 1.951 -3.746 1.00 0.00 C ATOM 342 C ASP A 19 -3.962 1.205 -5.056 1.00 0.00 C ATOM 343 O ASP A 19 -5.055 0.697 -5.308 1.00 0.00 O ATOM 344 CB ASP A 19 -4.138 3.417 -3.899 1.00 0.00 C ATOM 345 CG ASP A 19 -3.611 4.034 -5.180 1.00 0.00 C ATOM 346 OD1 ASP A 19 -4.060 3.617 -6.268 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.748 4.933 -5.094 1.00 0.00 O ATOM 0 H ASP A 19 -1.899 2.748 -3.102 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.343 1.490 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.225 3.491 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.768 3.986 -3.046 1.00 0.00 H new ATOM 352 N LYS A 20 -2.929 1.145 -5.889 1.00 0.00 N ATOM 353 CA LYS A 20 -3.019 0.462 -7.174 1.00 0.00 C ATOM 354 C LYS A 20 -3.037 -1.052 -6.985 1.00 0.00 C ATOM 355 O LYS A 20 -3.891 -1.746 -7.538 1.00 0.00 O ATOM 356 CB LYS A 20 -1.845 0.861 -8.070 1.00 0.00 C ATOM 357 CG LYS A 20 -0.486 0.609 -7.441 1.00 0.00 C ATOM 358 CD LYS A 20 0.550 1.606 -7.932 1.00 0.00 C ATOM 359 CE LYS A 20 0.525 2.886 -7.110 1.00 0.00 C ATOM 360 NZ LYS A 20 -0.408 3.895 -7.684 1.00 0.00 N ATOM 0 H LYS A 20 -2.018 1.562 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.951 0.762 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.910 0.308 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.931 1.919 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.569 0.674 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.158 -0.403 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.542 1.157 -7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.362 1.841 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.226 2.655 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.530 3.306 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.091 4.850 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.420 3.806 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.366 3.734 -7.311 1.00 0.00 H new ATOM 374 N VAL A 21 -2.091 -1.557 -6.200 1.00 0.00 N ATOM 375 CA VAL A 21 -2.001 -2.988 -5.936 1.00 0.00 C ATOM 376 C VAL A 21 -3.241 -3.493 -5.208 1.00 0.00 C ATOM 377 O VAL A 21 -3.758 -4.569 -5.511 1.00 0.00 O ATOM 378 CB VAL A 21 -0.754 -3.327 -5.098 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.688 -4.820 -4.817 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.508 -2.853 -5.805 1.00 0.00 C ATOM 0 H VAL A 21 -1.376 -0.997 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.925 -3.483 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.827 -2.805 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.200 -5.040 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.577 -5.126 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.639 -5.366 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.379 -3.101 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.589 -3.345 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.461 -1.774 -5.949 1.00 0.00 H new ATOM 390 N LEU A 22 -3.716 -2.708 -4.247 1.00 0.00 N ATOM 391 CA LEU A 22 -4.898 -3.074 -3.475 1.00 0.00 C ATOM 392 C LEU A 22 -6.154 -3.013 -4.338 1.00 0.00 C ATOM 393 O LEU A 22 -7.045 -3.855 -4.218 1.00 0.00 O ATOM 394 CB LEU A 22 -5.050 -2.147 -2.267 1.00 0.00 C ATOM 395 CG LEU A 22 -4.163 -2.464 -1.062 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.401 -1.459 0.054 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.417 -3.881 -0.570 1.00 0.00 C ATOM 0 H LEU A 22 -3.301 -1.814 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.770 -4.098 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.841 -1.127 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.091 -2.172 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.121 -2.391 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.762 -1.700 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.167 -0.456 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.445 -1.499 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.777 -4.089 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.462 -3.982 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.194 -4.589 -1.369 1.00 0.00 H new ATOM 409 N HIS A 23 -6.217 -2.012 -5.211 1.00 0.00 N ATOM 410 CA HIS A 23 -7.363 -1.842 -6.098 1.00 0.00 C ATOM 411 C HIS A 23 -7.544 -3.065 -6.992 1.00 0.00 C ATOM 412 O HIS A 23 -8.597 -3.701 -6.985 1.00 0.00 O ATOM 413 CB HIS A 23 -7.189 -0.590 -6.957 1.00 0.00 C ATOM 414 CG HIS A 23 -8.066 -0.569 -8.170 1.00 0.00 C ATOM 415 ND1 HIS A 23 -8.013 -1.534 -9.154 1.00 0.00 N ATOM 416 CD2 HIS A 23 -9.023 0.307 -8.556 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.898 -1.252 -10.093 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.525 -0.140 -9.754 1.00 0.00 N ATOM 0 H HIS A 23 -5.489 -1.307 -5.323 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.255 -1.729 -5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.402 0.290 -6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.148 -0.516 -7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.334 1.192 -8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.078 -1.832 -10.986 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.262 0.313 -10.294 1.00 0.00 H new ATOM 426 N ALA A 24 -6.509 -3.388 -7.761 1.00 0.00 N ATOM 427 CA ALA A 24 -6.554 -4.535 -8.659 1.00 0.00 C ATOM 428 C ALA A 24 -6.732 -5.835 -7.882 1.00 0.00 C ATOM 429 O ALA A 24 -7.188 -6.839 -8.429 1.00 0.00 O ATOM 430 CB ALA A 24 -5.290 -4.593 -9.505 1.00 0.00 C ATOM 0 H ALA A 24 -5.630 -2.872 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.414 -4.415 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.337 -5.455 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.206 -3.681 -10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.420 -4.685 -8.854 1.00 0.00 H new ATOM 436 N ALA A 25 -6.370 -5.809 -6.603 1.00 0.00 N ATOM 437 CA ALA A 25 -6.491 -6.985 -5.751 1.00 0.00 C ATOM 438 C ALA A 25 -7.882 -7.073 -5.133 1.00 0.00 C ATOM 439 O ALA A 25 -8.322 -8.147 -4.719 1.00 0.00 O ATOM 440 CB ALA A 25 -5.429 -6.959 -4.662 1.00 0.00 C ATOM 0 H ALA A 25 -5.991 -4.986 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.340 -7.869 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.531 -7.843 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.439 -6.951 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.554 -6.064 -4.053 1.00 0.00 H new ATOM 446 N PHE A 26 -8.571 -5.939 -5.072 1.00 0.00 N ATOM 447 CA PHE A 26 -9.913 -5.888 -4.503 1.00 0.00 C ATOM 448 C PHE A 26 -10.949 -5.577 -5.579 1.00 0.00 C ATOM 449 O PHE A 26 -12.141 -5.464 -5.293 1.00 0.00 O ATOM 450 CB PHE A 26 -9.980 -4.836 -3.395 1.00 0.00 C ATOM 451 CG PHE A 26 -9.402 -5.302 -2.089 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.193 -5.977 -2.054 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.068 -5.065 -0.897 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.658 -6.408 -0.854 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.538 -5.493 0.305 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.332 -6.166 0.327 1.00 0.00 C ATOM 0 H PHE A 26 -8.222 -5.042 -5.410 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.138 -6.867 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.447 -3.943 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.020 -4.548 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.662 -6.169 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.012 -4.540 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.714 -6.933 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.067 -5.301 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.917 -6.502 1.266 1.00 0.00 H new ATOM 466 N ILE A 27 -10.485 -5.439 -6.816 1.00 0.00 N ATOM 467 CA ILE A 27 -11.371 -5.142 -7.935 1.00 0.00 C ATOM 468 C ILE A 27 -12.423 -6.231 -8.108 1.00 0.00 C ATOM 469 O ILE A 27 -13.551 -5.979 -8.534 1.00 0.00 O ATOM 470 CB ILE A 27 -10.585 -4.990 -9.251 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.409 -4.208 -10.276 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.203 -6.356 -9.801 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.682 -2.777 -9.867 1.00 0.00 C ATOM 0 H ILE A 27 -9.501 -5.528 -7.069 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.864 -4.198 -7.704 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.670 -4.433 -9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.883 -4.210 -11.231 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.358 -4.720 -10.434 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.648 -6.232 -10.731 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.581 -6.880 -9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.105 -6.937 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.270 -2.283 -10.640 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.235 -2.766 -8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.737 -2.249 -9.738 1.00 0.00 H new ATOM 485 N PRO A 28 -12.049 -7.474 -7.769 1.00 0.00 N ATOM 486 CA PRO A 28 -12.948 -8.628 -7.875 1.00 0.00 C ATOM 487 C PRO A 28 -14.198 -8.471 -7.017 1.00 0.00 C ATOM 488 O PRO A 28 -15.319 -8.492 -7.525 1.00 0.00 O ATOM 489 CB PRO A 28 -12.093 -9.791 -7.367 1.00 0.00 C ATOM 490 CG PRO A 28 -10.686 -9.324 -7.522 1.00 0.00 C ATOM 491 CD PRO A 28 -10.722 -7.848 -7.254 1.00 0.00 C ATOM 0 HA PRO A 28 -13.317 -8.764 -8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.320 -10.024 -6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.275 -10.698 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.024 -9.834 -6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.312 -9.532 -8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.619 -7.624 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.920 -7.320 -7.771 1.00 0.00 H new ATOM 499 N PHE A 29 -13.998 -8.312 -5.713 1.00 0.00 N ATOM 500 CA PHE A 29 -15.110 -8.152 -4.783 1.00 0.00 C ATOM 501 C PHE A 29 -16.227 -7.322 -5.409 1.00 0.00 C ATOM 502 O PHE A 29 -17.283 -7.846 -5.761 1.00 0.00 O ATOM 503 CB PHE A 29 -14.630 -7.489 -3.490 1.00 0.00 C ATOM 504 CG PHE A 29 -13.708 -8.354 -2.680 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.055 -9.658 -2.368 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.493 -7.862 -2.229 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.208 -10.457 -1.623 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.642 -8.656 -1.484 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.000 -9.955 -1.180 1.00 0.00 C ATOM 0 H PHE A 29 -13.076 -8.290 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.503 -9.142 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.119 -6.558 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.496 -7.226 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -14.999 -10.055 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.208 -6.847 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.491 -11.472 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.698 -8.261 -1.140 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.337 -10.577 -0.597 1.00 0.00 H new ATOM 519 N GLY A 30 -15.985 -6.021 -5.544 1.00 0.00 N ATOM 520 CA GLY A 30 -16.979 -5.138 -6.127 1.00 0.00 C ATOM 521 C GLY A 30 -16.367 -4.109 -7.056 1.00 0.00 C ATOM 522 O GLY A 30 -15.368 -4.381 -7.723 1.00 0.00 O ATOM 0 H GLY A 30 -15.119 -5.563 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.709 -5.731 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.519 -4.627 -5.330 1.00 0.00 H new ATOM 526 N ASP A 31 -16.967 -2.925 -7.102 1.00 0.00 N ATOM 527 CA ASP A 31 -16.475 -1.851 -7.958 1.00 0.00 C ATOM 528 C ASP A 31 -15.918 -0.703 -7.122 1.00 0.00 C ATOM 529 O ASP A 31 -16.609 0.285 -6.869 1.00 0.00 O ATOM 530 CB ASP A 31 -17.594 -1.341 -8.867 1.00 0.00 C ATOM 531 CG ASP A 31 -17.920 -2.312 -9.985 1.00 0.00 C ATOM 532 OD1 ASP A 31 -17.896 -3.535 -9.734 1.00 0.00 O ATOM 533 OD2 ASP A 31 -18.198 -1.849 -11.111 1.00 0.00 O ATOM 0 H ASP A 31 -17.795 -2.684 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.671 -2.251 -8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.489 -1.163 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.301 -0.383 -9.296 1.00 0.00 H new ATOM 538 N ILE A 32 -14.667 -0.840 -6.696 1.00 0.00 N ATOM 539 CA ILE A 32 -14.018 0.186 -5.889 1.00 0.00 C ATOM 540 C ILE A 32 -14.334 1.581 -6.417 1.00 0.00 C ATOM 541 O ILE A 32 -14.164 1.862 -7.604 1.00 0.00 O ATOM 542 CB ILE A 32 -12.490 -0.005 -5.858 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.138 -1.376 -5.277 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.835 1.103 -5.049 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.686 -1.756 -5.463 1.00 0.00 C ATOM 0 H ILE A 32 -14.082 -1.652 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.409 0.086 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.111 0.044 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.373 -1.382 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.766 -2.133 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.755 0.955 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -12.063 2.068 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.216 1.082 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.508 -2.739 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.450 -1.783 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.051 -1.020 -4.969 1.00 0.00 H new ATOM 557 N THR A 33 -14.793 2.455 -5.527 1.00 0.00 N ATOM 558 CA THR A 33 -15.132 3.822 -5.902 1.00 0.00 C ATOM 559 C THR A 33 -13.950 4.760 -5.687 1.00 0.00 C ATOM 560 O THR A 33 -13.691 5.644 -6.504 1.00 0.00 O ATOM 561 CB THR A 33 -16.338 4.343 -5.097 1.00 0.00 C ATOM 562 OG1 THR A 33 -15.994 4.447 -3.711 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.536 3.419 -5.260 1.00 0.00 C ATOM 0 H THR A 33 -14.939 2.240 -4.541 1.00 0.00 H new ATOM 0 HA THR A 33 -15.391 3.804 -6.961 1.00 0.00 H new ATOM 0 HB THR A 33 -16.604 5.329 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.765 4.780 -3.207 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.376 3.807 -4.683 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.813 3.365 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.278 2.423 -4.901 1.00 0.00 H new ATOM 571 N ASP A 34 -13.235 4.562 -4.585 1.00 0.00 N ATOM 572 CA ASP A 34 -12.078 5.389 -4.265 1.00 0.00 C ATOM 573 C ASP A 34 -11.196 4.709 -3.223 1.00 0.00 C ATOM 574 O ASP A 34 -11.633 3.790 -2.530 1.00 0.00 O ATOM 575 CB ASP A 34 -12.530 6.758 -3.754 1.00 0.00 C ATOM 576 CG ASP A 34 -11.519 7.849 -4.051 1.00 0.00 C ATOM 577 OD1 ASP A 34 -10.448 7.855 -3.409 1.00 0.00 O ATOM 578 OD2 ASP A 34 -11.800 8.696 -4.924 1.00 0.00 O ATOM 0 H ASP A 34 -13.437 3.835 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.495 5.524 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.485 7.017 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.697 6.704 -2.678 1.00 0.00 H new ATOM 583 N ILE A 35 -9.952 5.166 -3.119 1.00 0.00 N ATOM 584 CA ILE A 35 -9.009 4.602 -2.162 1.00 0.00 C ATOM 585 C ILE A 35 -8.132 5.688 -1.549 1.00 0.00 C ATOM 586 O ILE A 35 -7.728 6.630 -2.230 1.00 0.00 O ATOM 587 CB ILE A 35 -8.108 3.540 -2.819 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.960 2.461 -3.491 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.179 2.920 -1.785 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.201 1.637 -4.507 1.00 0.00 C ATOM 0 H ILE A 35 -9.574 5.925 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.600 4.130 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.499 4.024 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.362 1.798 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.811 2.934 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.549 2.171 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.551 3.697 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.771 2.447 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.867 0.893 -4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.821 2.289 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.366 1.135 -4.018 1.00 0.00 H new ATOM 602 N GLN A 36 -7.840 5.548 -0.260 1.00 0.00 N ATOM 603 CA GLN A 36 -7.009 6.517 0.445 1.00 0.00 C ATOM 604 C GLN A 36 -5.781 5.844 1.050 1.00 0.00 C ATOM 605 O GLN A 36 -5.884 4.783 1.665 1.00 0.00 O ATOM 606 CB GLN A 36 -7.817 7.212 1.542 1.00 0.00 C ATOM 607 CG GLN A 36 -8.608 8.412 1.048 1.00 0.00 C ATOM 608 CD GLN A 36 -9.139 8.222 -0.359 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.006 7.232 -0.536 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -8.774 8.956 -1.278 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.166 4.773 0.317 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.674 7.262 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.504 6.492 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.139 7.535 2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.442 8.596 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.973 9.297 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.106 9.705 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.140 8.815 -2.220 1.00 0.00 H new ATOM 619 N ILE A 37 -4.622 6.468 0.870 1.00 0.00 N ATOM 620 CA ILE A 37 -3.375 5.929 1.399 1.00 0.00 C ATOM 621 C ILE A 37 -2.748 6.885 2.409 1.00 0.00 C ATOM 622 O ILE A 37 -2.465 8.046 2.110 1.00 0.00 O ATOM 623 CB ILE A 37 -2.360 5.650 0.275 1.00 0.00 C ATOM 624 CG1 ILE A 37 -2.965 4.702 -0.763 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.079 5.067 0.851 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.022 3.261 -0.304 1.00 0.00 C ATOM 0 H ILE A 37 -4.520 7.347 0.362 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.622 4.990 1.895 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.117 6.591 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.973 5.038 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.380 4.760 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.372 4.875 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.642 5.774 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.304 4.133 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.462 2.646 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.014 2.908 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.632 3.190 0.597 1.00 0.00 H new ATOM 638 N PRO A 38 -2.522 6.387 3.634 1.00 0.00 N ATOM 639 CA PRO A 38 -1.923 7.179 4.712 1.00 0.00 C ATOM 640 C PRO A 38 -0.451 7.484 4.458 1.00 0.00 C ATOM 641 O PRO A 38 0.414 6.632 4.661 1.00 0.00 O ATOM 642 CB PRO A 38 -2.079 6.280 5.941 1.00 0.00 C ATOM 643 CG PRO A 38 -2.146 4.897 5.392 1.00 0.00 C ATOM 644 CD PRO A 38 -2.834 5.013 4.060 1.00 0.00 C ATOM 0 HA PRO A 38 -2.401 8.153 4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.238 6.394 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.981 6.528 6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.148 4.473 5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.699 4.238 6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.459 4.277 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.909 4.854 4.148 1.00 0.00 H new ATOM 652 N LEU A 39 -0.173 8.705 4.014 1.00 0.00 N ATOM 653 CA LEU A 39 1.196 9.124 3.733 1.00 0.00 C ATOM 654 C LEU A 39 1.540 10.404 4.487 1.00 0.00 C ATOM 655 O LEU A 39 0.652 11.140 4.918 1.00 0.00 O ATOM 656 CB LEU A 39 1.386 9.337 2.230 1.00 0.00 C ATOM 657 CG LEU A 39 0.930 8.191 1.326 1.00 0.00 C ATOM 658 CD1 LEU A 39 0.939 8.625 -0.132 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.813 6.969 1.527 1.00 0.00 C ATOM 0 H LEU A 39 -0.877 9.422 3.841 1.00 0.00 H new ATOM 0 HA LEU A 39 1.868 8.335 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.846 10.238 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.443 9.524 2.041 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.091 7.924 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.612 7.797 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.263 9.470 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.949 8.920 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.474 6.164 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.845 7.222 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.754 6.644 2.566 1.00 0.00 H new ATOM 671 N ASP A 40 2.834 10.664 4.642 1.00 0.00 N ATOM 672 CA ASP A 40 3.296 11.857 5.341 1.00 0.00 C ATOM 673 C ASP A 40 3.558 12.995 4.360 1.00 0.00 C ATOM 674 O ASP A 40 3.492 12.808 3.145 1.00 0.00 O ATOM 675 CB ASP A 40 4.566 11.549 6.136 1.00 0.00 C ATOM 676 CG ASP A 40 4.788 12.525 7.274 1.00 0.00 C ATOM 677 OD1 ASP A 40 3.798 12.898 7.937 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.952 12.916 7.502 1.00 0.00 O ATOM 0 H ASP A 40 3.581 10.064 4.293 1.00 0.00 H new ATOM 0 HA ASP A 40 2.512 12.170 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.504 10.537 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.426 11.575 5.466 1.00 0.00 H new ATOM 683 N TYR A 41 3.855 14.174 4.895 1.00 0.00 N ATOM 684 CA TYR A 41 4.124 15.343 4.067 1.00 0.00 C ATOM 685 C TYR A 41 5.623 15.530 3.859 1.00 0.00 C ATOM 686 O TYR A 41 6.052 16.422 3.128 1.00 0.00 O ATOM 687 CB TYR A 41 3.526 16.597 4.708 1.00 0.00 C ATOM 688 CG TYR A 41 3.995 16.834 6.126 1.00 0.00 C ATOM 689 CD1 TYR A 41 3.352 16.231 7.201 1.00 0.00 C ATOM 690 CD2 TYR A 41 5.079 17.661 6.391 1.00 0.00 C ATOM 691 CE1 TYR A 41 3.777 16.446 8.498 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.512 17.879 7.684 1.00 0.00 C ATOM 693 CZ TYR A 41 4.857 17.270 8.734 1.00 0.00 C ATOM 694 OH TYR A 41 5.283 17.487 10.025 1.00 0.00 O ATOM 0 H TYR A 41 3.916 14.345 5.899 1.00 0.00 H new ATOM 0 HA TYR A 41 3.658 15.183 3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.783 17.464 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.439 16.515 4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.507 15.584 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.592 18.142 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.266 15.971 9.323 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.359 18.523 7.872 1.00 0.00 H new ATOM 0 HH TYR A 41 6.055 18.091 10.018 1.00 0.00 H new ATOM 704 N GLU A 42 6.415 14.681 4.507 1.00 0.00 N ATOM 705 CA GLU A 42 7.867 14.753 4.394 1.00 0.00 C ATOM 706 C GLU A 42 8.407 13.582 3.578 1.00 0.00 C ATOM 707 O GLU A 42 9.251 13.759 2.699 1.00 0.00 O ATOM 708 CB GLU A 42 8.509 14.761 5.782 1.00 0.00 C ATOM 709 CG GLU A 42 8.548 16.137 6.427 1.00 0.00 C ATOM 710 CD GLU A 42 9.715 16.302 7.380 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.655 15.740 8.494 1.00 0.00 O ATOM 712 OE2 GLU A 42 10.689 16.992 7.014 1.00 0.00 O ATOM 0 H GLU A 42 6.076 13.936 5.115 1.00 0.00 H new ATOM 0 HA GLU A 42 8.121 15.680 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.959 14.080 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.526 14.376 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.609 16.897 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.616 16.308 6.966 1.00 0.00 H new ATOM 719 N THR A 43 7.915 12.383 3.877 1.00 0.00 N ATOM 720 CA THR A 43 8.348 11.182 3.174 1.00 0.00 C ATOM 721 C THR A 43 7.278 10.697 2.204 1.00 0.00 C ATOM 722 O THR A 43 7.588 10.114 1.165 1.00 0.00 O ATOM 723 CB THR A 43 8.686 10.047 4.158 1.00 0.00 C ATOM 724 OG1 THR A 43 7.519 9.678 4.901 1.00 0.00 O ATOM 725 CG2 THR A 43 9.789 10.471 5.116 1.00 0.00 C ATOM 0 H THR A 43 7.216 12.219 4.602 1.00 0.00 H new ATOM 0 HA THR A 43 9.246 11.448 2.616 1.00 0.00 H new ATOM 0 HB THR A 43 9.036 9.190 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.742 8.954 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.010 9.653 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.686 10.723 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.462 11.342 5.684 1.00 0.00 H new ATOM 733 N GLU A 44 6.017 10.941 2.549 1.00 0.00 N ATOM 734 CA GLU A 44 4.901 10.527 1.707 1.00 0.00 C ATOM 735 C GLU A 44 4.893 9.013 1.519 1.00 0.00 C ATOM 736 O GLU A 44 4.560 8.510 0.446 1.00 0.00 O ATOM 737 CB GLU A 44 4.977 11.220 0.345 1.00 0.00 C ATOM 738 CG GLU A 44 5.149 12.727 0.438 1.00 0.00 C ATOM 739 CD GLU A 44 5.289 13.383 -0.922 1.00 0.00 C ATOM 740 OE1 GLU A 44 4.656 12.897 -1.883 1.00 0.00 O ATOM 741 OE2 GLU A 44 6.031 14.381 -1.026 1.00 0.00 O ATOM 0 H GLU A 44 5.743 11.423 3.405 1.00 0.00 H new ATOM 0 HA GLU A 44 3.976 10.819 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.810 10.802 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.069 11.000 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.292 13.155 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.031 12.952 1.038 1.00 0.00 H new ATOM 748 N LYS A 45 5.264 8.290 2.571 1.00 0.00 N ATOM 749 CA LYS A 45 5.300 6.833 2.525 1.00 0.00 C ATOM 750 C LYS A 45 4.331 6.233 3.539 1.00 0.00 C ATOM 751 O LYS A 45 4.104 6.801 4.608 1.00 0.00 O ATOM 752 CB LYS A 45 6.718 6.329 2.798 1.00 0.00 C ATOM 753 CG LYS A 45 7.733 6.773 1.759 1.00 0.00 C ATOM 754 CD LYS A 45 9.044 6.018 1.901 1.00 0.00 C ATOM 755 CE LYS A 45 9.866 6.543 3.067 1.00 0.00 C ATOM 756 NZ LYS A 45 11.053 5.686 3.340 1.00 0.00 N ATOM 0 H LYS A 45 5.544 8.690 3.466 1.00 0.00 H new ATOM 0 HA LYS A 45 4.995 6.518 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.037 6.681 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.706 5.240 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.326 6.613 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.915 7.843 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.840 4.957 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.619 6.108 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.194 7.560 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.241 6.592 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.587 6.078 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.739 4.722 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.663 5.659 2.498 1.00 0.00 H new ATOM 770 N HIS A 46 3.763 5.081 3.198 1.00 0.00 N ATOM 771 CA HIS A 46 2.820 4.402 4.080 1.00 0.00 C ATOM 772 C HIS A 46 3.541 3.406 4.983 1.00 0.00 C ATOM 773 O HIS A 46 4.549 2.817 4.593 1.00 0.00 O ATOM 774 CB HIS A 46 1.749 3.682 3.260 1.00 0.00 C ATOM 775 CG HIS A 46 2.167 2.322 2.791 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.574 1.323 3.650 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.239 1.798 1.546 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.879 0.243 2.952 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.684 0.505 1.673 1.00 0.00 N ATOM 0 H HIS A 46 3.939 4.598 2.317 1.00 0.00 H new ATOM 0 HA HIS A 46 2.342 5.154 4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.845 3.588 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.494 4.293 2.394 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.992 2.303 0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.228 -0.694 3.359 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.839 -0.147 0.904 1.00 0.00 H new ATOM 787 N ARG A 47 3.018 3.224 6.191 1.00 0.00 N ATOM 788 CA ARG A 47 3.613 2.302 7.150 1.00 0.00 C ATOM 789 C ARG A 47 3.254 0.858 6.811 1.00 0.00 C ATOM 790 O ARG A 47 4.047 -0.057 7.029 1.00 0.00 O ATOM 791 CB ARG A 47 3.146 2.635 8.568 1.00 0.00 C ATOM 792 CG ARG A 47 3.909 1.890 9.652 1.00 0.00 C ATOM 793 CD ARG A 47 3.276 0.541 9.952 1.00 0.00 C ATOM 794 NE ARG A 47 4.167 -0.323 10.722 1.00 0.00 N ATOM 795 CZ ARG A 47 4.019 -1.640 10.810 1.00 0.00 C ATOM 796 NH1 ARG A 47 3.020 -2.242 10.178 1.00 0.00 N ATOM 797 NH2 ARG A 47 4.871 -2.358 11.530 1.00 0.00 N ATOM 0 H ARG A 47 2.183 3.703 6.529 1.00 0.00 H new ATOM 0 HA ARG A 47 4.696 2.411 7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.251 3.707 8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.085 2.401 8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.943 1.746 9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.933 2.492 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.349 0.691 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.013 0.048 9.016 1.00 0.00 H new ATOM 0 HE ARG A 47 4.946 0.109 11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.363 -1.693 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.909 -3.254 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.641 -1.899 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.756 -3.369 11.597 1.00 0.00 H new ATOM 811 N GLY A 48 2.053 0.662 6.275 1.00 0.00 N ATOM 812 CA GLY A 48 1.610 -0.672 5.915 1.00 0.00 C ATOM 813 C GLY A 48 0.119 -0.860 6.111 1.00 0.00 C ATOM 814 O GLY A 48 -0.315 -1.818 6.750 1.00 0.00 O ATOM 0 H GLY A 48 1.379 1.403 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.864 -0.867 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.148 -1.405 6.517 1.00 0.00 H new ATOM 818 N PHE A 49 -0.669 0.058 5.560 1.00 0.00 N ATOM 819 CA PHE A 49 -2.121 -0.009 5.680 1.00 0.00 C ATOM 820 C PHE A 49 -2.787 1.077 4.841 1.00 0.00 C ATOM 821 O PHE A 49 -2.152 2.062 4.464 1.00 0.00 O ATOM 822 CB PHE A 49 -2.540 0.133 7.144 1.00 0.00 C ATOM 823 CG PHE A 49 -2.240 1.485 7.725 1.00 0.00 C ATOM 824 CD1 PHE A 49 -0.948 1.824 8.094 1.00 0.00 C ATOM 825 CD2 PHE A 49 -3.250 2.417 7.902 1.00 0.00 C ATOM 826 CE1 PHE A 49 -0.670 3.067 8.630 1.00 0.00 C ATOM 827 CE2 PHE A 49 -2.977 3.663 8.437 1.00 0.00 C ATOM 828 CZ PHE A 49 -1.685 3.988 8.800 1.00 0.00 C ATOM 0 H PHE A 49 -0.326 0.857 5.026 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.447 -0.981 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.609 -0.060 7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.031 -0.629 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.150 1.109 7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.262 2.168 7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.341 3.318 8.916 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.773 4.381 8.571 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.469 4.961 9.216 1.00 0.00 H new ATOM 838 N ALA A 50 -4.071 0.890 4.552 1.00 0.00 N ATOM 839 CA ALA A 50 -4.824 1.853 3.759 1.00 0.00 C ATOM 840 C ALA A 50 -6.324 1.600 3.867 1.00 0.00 C ATOM 841 O ALA A 50 -6.758 0.653 4.522 1.00 0.00 O ATOM 842 CB ALA A 50 -4.381 1.800 2.304 1.00 0.00 C ATOM 0 H ALA A 50 -4.611 0.080 4.856 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.621 2.849 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.952 2.525 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.319 2.038 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.554 0.800 1.907 1.00 0.00 H new ATOM 848 N PHE A 51 -7.111 2.453 3.220 1.00 0.00 N ATOM 849 CA PHE A 51 -8.563 2.322 3.245 1.00 0.00 C ATOM 850 C PHE A 51 -9.123 2.202 1.830 1.00 0.00 C ATOM 851 O PHE A 51 -8.728 2.941 0.929 1.00 0.00 O ATOM 852 CB PHE A 51 -9.193 3.524 3.953 1.00 0.00 C ATOM 853 CG PHE A 51 -8.640 3.765 5.329 1.00 0.00 C ATOM 854 CD1 PHE A 51 -8.965 2.921 6.378 1.00 0.00 C ATOM 855 CD2 PHE A 51 -7.795 4.836 5.572 1.00 0.00 C ATOM 856 CE1 PHE A 51 -8.459 3.142 7.645 1.00 0.00 C ATOM 857 CE2 PHE A 51 -7.285 5.061 6.837 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.617 4.212 7.875 1.00 0.00 C ATOM 0 H PHE A 51 -6.768 3.242 2.672 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.811 1.414 3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.038 4.416 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.270 3.371 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.621 2.081 6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.532 5.502 4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.722 2.478 8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.628 5.900 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.219 4.385 8.864 1.00 0.00 H new ATOM 868 N VAL A 52 -10.045 1.263 1.643 1.00 0.00 N ATOM 869 CA VAL A 52 -10.660 1.044 0.339 1.00 0.00 C ATOM 870 C VAL A 52 -12.176 1.192 0.415 1.00 0.00 C ATOM 871 O VAL A 52 -12.816 0.658 1.320 1.00 0.00 O ATOM 872 CB VAL A 52 -10.318 -0.351 -0.216 1.00 0.00 C ATOM 873 CG1 VAL A 52 -10.834 -0.501 -1.639 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.817 -0.595 -0.156 1.00 0.00 C ATOM 0 H VAL A 52 -10.383 0.642 2.378 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.257 1.802 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.810 -1.100 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.583 -1.493 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.916 -0.372 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.373 0.255 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.593 -1.586 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.302 0.159 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.479 -0.533 0.879 1.00 0.00 H new ATOM 884 N GLU A 53 -12.743 1.919 -0.543 1.00 0.00 N ATOM 885 CA GLU A 53 -14.184 2.136 -0.584 1.00 0.00 C ATOM 886 C GLU A 53 -14.864 1.107 -1.482 1.00 0.00 C ATOM 887 O GLU A 53 -14.290 0.656 -2.474 1.00 0.00 O ATOM 888 CB GLU A 53 -14.495 3.549 -1.082 1.00 0.00 C ATOM 889 CG GLU A 53 -14.611 4.575 0.033 1.00 0.00 C ATOM 890 CD GLU A 53 -14.191 5.964 -0.407 1.00 0.00 C ATOM 891 OE1 GLU A 53 -14.920 6.577 -1.215 1.00 0.00 O ATOM 892 OE2 GLU A 53 -13.132 6.438 0.056 1.00 0.00 O ATOM 0 H GLU A 53 -12.227 2.367 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.572 2.022 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.712 3.862 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.428 3.530 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.641 4.606 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.994 4.262 0.875 1.00 0.00 H new ATOM 899 N PHE A 54 -16.091 0.739 -1.128 1.00 0.00 N ATOM 900 CA PHE A 54 -16.849 -0.238 -1.900 1.00 0.00 C ATOM 901 C PHE A 54 -18.158 0.365 -2.403 1.00 0.00 C ATOM 902 O PHE A 54 -18.945 0.903 -1.624 1.00 0.00 O ATOM 903 CB PHE A 54 -17.138 -1.478 -1.051 1.00 0.00 C ATOM 904 CG PHE A 54 -15.973 -2.420 -0.951 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.741 -1.973 -0.500 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.109 -3.752 -1.307 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.666 -2.838 -0.406 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.038 -4.621 -1.215 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.815 -4.163 -0.765 1.00 0.00 C ATOM 0 H PHE A 54 -16.581 1.103 -0.311 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.248 -0.529 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.427 -1.163 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.989 -2.009 -1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.619 -0.937 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.063 -4.115 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.711 -2.478 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.157 -5.657 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.977 -4.840 -0.694 1.00 0.00 H new ATOM 919 N GLU A 55 -18.383 0.270 -3.709 1.00 0.00 N ATOM 920 CA GLU A 55 -19.596 0.806 -4.316 1.00 0.00 C ATOM 921 C GLU A 55 -20.818 0.493 -3.458 1.00 0.00 C ATOM 922 O GLU A 55 -21.678 1.349 -3.246 1.00 0.00 O ATOM 923 CB GLU A 55 -19.786 0.233 -5.722 1.00 0.00 C ATOM 924 CG GLU A 55 -20.617 1.120 -6.634 1.00 0.00 C ATOM 925 CD GLU A 55 -19.781 2.150 -7.367 1.00 0.00 C ATOM 926 OE1 GLU A 55 -18.587 1.879 -7.615 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.320 3.228 -7.694 1.00 0.00 O ATOM 0 H GLU A 55 -17.742 -0.173 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.489 1.889 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.808 0.075 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.264 -0.744 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.140 0.498 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.379 1.629 -6.044 1.00 0.00 H new ATOM 934 N LEU A 56 -20.889 -0.740 -2.968 1.00 0.00 N ATOM 935 CA LEU A 56 -22.006 -1.168 -2.133 1.00 0.00 C ATOM 936 C LEU A 56 -21.517 -1.626 -0.762 1.00 0.00 C ATOM 937 O LEU A 56 -20.315 -1.655 -0.499 1.00 0.00 O ATOM 938 CB LEU A 56 -22.775 -2.300 -2.817 1.00 0.00 C ATOM 939 CG LEU A 56 -23.384 -1.968 -4.180 1.00 0.00 C ATOM 940 CD1 LEU A 56 -24.015 -3.207 -4.798 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.412 -0.854 -4.048 1.00 0.00 C ATOM 0 H LEU A 56 -20.187 -1.461 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.672 -0.316 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.101 -3.148 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.576 -2.622 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.587 -1.623 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.443 -2.952 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.254 -3.976 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.800 -3.581 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.835 -0.631 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.207 -1.171 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.931 0.039 -3.649 1.00 0.00 H new ATOM 953 N ALA A 57 -22.457 -1.986 0.106 1.00 0.00 N ATOM 954 CA ALA A 57 -22.121 -2.448 1.447 1.00 0.00 C ATOM 955 C ALA A 57 -21.889 -3.954 1.467 1.00 0.00 C ATOM 956 O ALA A 57 -20.840 -4.423 1.908 1.00 0.00 O ATOM 957 CB ALA A 57 -23.223 -2.068 2.426 1.00 0.00 C ATOM 0 H ALA A 57 -23.457 -1.967 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.195 -1.961 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.960 -2.419 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.339 -0.984 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.161 -2.529 2.115 1.00 0.00 H new ATOM 963 N GLU A 58 -22.874 -4.707 0.989 1.00 0.00 N ATOM 964 CA GLU A 58 -22.776 -6.162 0.954 1.00 0.00 C ATOM 965 C GLU A 58 -21.384 -6.602 0.511 1.00 0.00 C ATOM 966 O GLU A 58 -20.633 -7.197 1.285 1.00 0.00 O ATOM 967 CB GLU A 58 -23.831 -6.744 0.012 1.00 0.00 C ATOM 968 CG GLU A 58 -25.256 -6.563 0.507 1.00 0.00 C ATOM 969 CD GLU A 58 -25.686 -7.659 1.463 1.00 0.00 C ATOM 970 OE1 GLU A 58 -24.860 -8.066 2.307 1.00 0.00 O ATOM 971 OE2 GLU A 58 -26.846 -8.109 1.367 1.00 0.00 O ATOM 0 H GLU A 58 -23.749 -4.334 0.621 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.954 -6.537 1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.732 -6.272 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -23.636 -7.807 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -25.344 -5.597 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -25.933 -6.544 -0.347 1.00 0.00 H new ATOM 978 N ASP A 59 -21.046 -6.307 -0.740 1.00 0.00 N ATOM 979 CA ASP A 59 -19.745 -6.672 -1.287 1.00 0.00 C ATOM 980 C ASP A 59 -18.639 -6.435 -0.263 1.00 0.00 C ATOM 981 O ASP A 59 -17.818 -7.315 -0.007 1.00 0.00 O ATOM 982 CB ASP A 59 -19.460 -5.870 -2.558 1.00 0.00 C ATOM 983 CG ASP A 59 -19.459 -4.374 -2.312 1.00 0.00 C ATOM 984 OD1 ASP A 59 -20.163 -3.925 -1.384 1.00 0.00 O ATOM 985 OD2 ASP A 59 -18.753 -3.653 -3.047 1.00 0.00 O ATOM 0 H ASP A 59 -21.656 -5.816 -1.394 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.766 -7.734 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.493 -6.169 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.210 -6.111 -3.312 1.00 0.00 H new ATOM 990 N ALA A 60 -18.624 -5.240 0.318 1.00 0.00 N ATOM 991 CA ALA A 60 -17.619 -4.888 1.314 1.00 0.00 C ATOM 992 C ALA A 60 -17.511 -5.964 2.388 1.00 0.00 C ATOM 993 O ALA A 60 -16.428 -6.486 2.650 1.00 0.00 O ATOM 994 CB ALA A 60 -17.950 -3.542 1.944 1.00 0.00 C ATOM 0 H ALA A 60 -19.296 -4.500 0.116 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.654 -4.815 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.192 -3.291 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.970 -2.774 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.926 -3.596 2.427 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.640 -6.292 3.007 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.672 -7.308 4.052 1.00 0.00 C ATOM 1002 C ALA A 61 -18.043 -8.611 3.571 1.00 0.00 C ATOM 1003 O ALA A 61 -17.290 -9.255 4.301 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.102 -7.548 4.512 1.00 0.00 C ATOM 0 H ALA A 61 -19.545 -5.869 2.803 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.087 -6.943 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.110 -8.309 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.518 -6.621 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.704 -7.887 3.668 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.357 -8.993 2.337 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.821 -10.219 1.758 1.00 0.00 C ATOM 1012 C ALA A 62 -16.306 -10.137 1.604 1.00 0.00 C ATOM 1013 O ALA A 62 -15.606 -11.142 1.723 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.476 -10.497 0.413 1.00 0.00 C ATOM 0 H ALA A 62 -18.979 -8.471 1.720 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.047 -11.041 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.067 -11.415 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.552 -10.608 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.279 -9.667 -0.266 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.808 -8.934 1.338 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.376 -8.721 1.168 1.00 0.00 C ATOM 1022 C ALA A 63 -13.632 -8.918 2.485 1.00 0.00 C ATOM 1023 O ALA A 63 -12.538 -9.483 2.513 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.111 -7.330 0.613 1.00 0.00 C ATOM 0 H ALA A 63 -16.375 -8.092 1.236 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.006 -9.460 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.038 -7.185 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.603 -7.224 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.502 -6.582 1.303 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.232 -8.448 3.574 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.626 -8.572 4.893 1.00 0.00 C ATOM 1032 C ILE A 64 -13.530 -10.034 5.318 1.00 0.00 C ATOM 1033 O ILE A 64 -12.443 -10.538 5.604 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.423 -7.792 5.955 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.470 -6.305 5.599 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.809 -7.993 7.333 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.348 -5.489 6.521 1.00 0.00 C ATOM 0 H ILE A 64 -15.137 -7.978 3.568 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.624 -8.150 4.821 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.444 -8.174 5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.458 -5.902 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.831 -6.196 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.384 -7.435 8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.823 -9.053 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.780 -7.635 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.333 -4.445 6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.370 -5.866 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.975 -5.567 7.542 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.673 -10.709 5.356 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.718 -12.114 5.743 1.00 0.00 C ATOM 1051 C ASP A 65 -13.666 -12.920 4.988 1.00 0.00 C ATOM 1052 O ASP A 65 -13.213 -13.963 5.458 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.108 -12.694 5.479 1.00 0.00 C ATOM 1054 CG ASP A 65 -16.239 -14.127 5.956 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -15.905 -14.395 7.129 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -16.675 -14.981 5.156 1.00 0.00 O ATOM 0 H ASP A 65 -15.581 -10.306 5.124 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.503 -12.178 6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.856 -12.078 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.320 -12.649 4.411 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.281 -12.429 3.815 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.283 -13.104 2.993 1.00 0.00 C ATOM 1063 C ASN A 66 -10.891 -12.535 3.250 1.00 0.00 C ATOM 1064 O ASN A 66 -10.062 -13.167 3.904 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.636 -12.969 1.510 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.777 -13.881 1.102 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.595 -14.801 0.304 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -14.961 -13.630 1.649 1.00 0.00 N ATOM 0 H ASN A 66 -13.645 -11.566 3.412 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.280 -14.160 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.907 -11.935 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.757 -13.199 0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.766 -14.211 1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.066 -12.857 2.306 1.00 0.00 H new ATOM 1075 N MET A 67 -10.643 -11.337 2.731 1.00 0.00 N ATOM 1076 CA MET A 67 -9.353 -10.681 2.906 1.00 0.00 C ATOM 1077 C MET A 67 -8.852 -10.840 4.338 1.00 0.00 C ATOM 1078 O MET A 67 -7.647 -10.869 4.584 1.00 0.00 O ATOM 1079 CB MET A 67 -9.458 -9.197 2.552 1.00 0.00 C ATOM 1080 CG MET A 67 -9.910 -8.943 1.123 1.00 0.00 C ATOM 1081 SD MET A 67 -8.878 -9.787 -0.092 1.00 0.00 S ATOM 1082 CE MET A 67 -7.245 -9.465 0.569 1.00 0.00 C ATOM 0 H MET A 67 -11.318 -10.801 2.186 1.00 0.00 H new ATOM 0 HA MET A 67 -8.638 -11.157 2.235 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.158 -8.717 3.236 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.487 -8.726 2.707 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.943 -9.273 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.894 -7.871 0.926 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.530 -9.387 -0.250 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.257 -8.531 1.130 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.953 -10.281 1.230 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.785 -10.941 5.279 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.438 -11.095 6.687 1.00 0.00 C ATOM 1094 C ASN A 68 -8.427 -12.222 6.877 1.00 0.00 C ATOM 1095 O ASN A 68 -8.740 -13.393 6.661 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.693 -11.376 7.516 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.385 -12.137 8.791 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.431 -13.367 8.819 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -10.071 -11.406 9.854 1.00 0.00 N ATOM 0 H ASN A 68 -10.787 -10.919 5.092 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.987 -10.163 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.178 -10.433 7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.401 -11.948 6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.855 -11.862 10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.045 -10.389 9.784 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.214 -11.860 7.282 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.157 -12.840 7.501 1.00 0.00 C ATOM 1108 C GLU A 69 -5.842 -13.597 6.214 1.00 0.00 C ATOM 1109 O GLU A 69 -5.635 -14.810 6.229 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.565 -13.826 8.598 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.504 -13.239 9.998 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.106 -14.158 11.043 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -8.191 -14.719 10.786 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -6.491 -14.315 12.119 1.00 0.00 O ATOM 0 H GLU A 69 -6.939 -10.895 7.465 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.261 -12.306 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.579 -14.174 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.914 -14.699 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.465 -13.032 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.031 -12.285 10.011 1.00 0.00 H new ATOM 1121 N SER A 70 -5.808 -12.871 5.101 1.00 0.00 N ATOM 1122 CA SER A 70 -5.522 -13.473 3.804 1.00 0.00 C ATOM 1123 C SER A 70 -4.020 -13.508 3.541 1.00 0.00 C ATOM 1124 O SER A 70 -3.221 -13.113 4.389 1.00 0.00 O ATOM 1125 CB SER A 70 -6.228 -12.696 2.691 1.00 0.00 C ATOM 1126 OG SER A 70 -7.556 -13.157 2.511 1.00 0.00 O ATOM 0 H SER A 70 -5.975 -11.865 5.071 1.00 0.00 H new ATOM 0 HA SER A 70 -5.895 -14.497 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.238 -11.634 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.673 -12.804 1.759 1.00 0.00 H new ATOM 0 HG SER A 70 -7.821 -13.035 1.575 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.644 -13.985 2.358 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.238 -14.073 1.983 1.00 0.00 C ATOM 1134 C GLU A 71 -1.925 -13.135 0.820 1.00 0.00 C ATOM 1135 O GLU A 71 -2.256 -13.423 -0.331 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.877 -15.511 1.603 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.402 -15.709 1.299 1.00 0.00 C ATOM 1138 CD GLU A 71 -0.016 -17.172 1.208 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.301 -17.798 0.166 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.572 -17.692 2.180 1.00 0.00 O ATOM 0 H GLU A 71 -4.293 -14.316 1.644 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.640 -13.771 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.164 -16.176 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.461 -15.805 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.159 -15.214 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.193 -15.228 2.075 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.286 -12.012 1.130 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.928 -11.030 0.112 1.00 0.00 C ATOM 1149 C LEU A 72 0.574 -10.768 0.113 1.00 0.00 C ATOM 1150 O LEU A 72 1.152 -10.410 1.139 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.686 -9.723 0.348 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.668 -8.719 -0.806 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.389 -9.288 -2.018 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.299 -7.403 -0.377 1.00 0.00 C ATOM 0 H LEU A 72 -1.005 -11.759 2.077 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.207 -11.434 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.724 -9.964 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.269 -9.239 1.231 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.631 -8.529 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.367 -8.561 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.894 -10.205 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.424 -9.507 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.278 -6.701 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.332 -7.576 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.740 -6.988 0.462 1.00 0.00 H new ATOM 1166 N PHE A 73 1.202 -10.947 -1.045 1.00 0.00 N ATOM 1167 CA PHE A 73 2.637 -10.729 -1.179 1.00 0.00 C ATOM 1168 C PHE A 73 3.419 -11.687 -0.285 1.00 0.00 C ATOM 1169 O PHE A 73 4.474 -11.340 0.243 1.00 0.00 O ATOM 1170 CB PHE A 73 2.990 -9.282 -0.826 1.00 0.00 C ATOM 1171 CG PHE A 73 2.925 -8.346 -1.998 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.761 -8.222 -2.739 1.00 0.00 C ATOM 1173 CD2 PHE A 73 4.028 -7.590 -2.360 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.698 -7.361 -3.819 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.971 -6.727 -3.438 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.805 -6.614 -4.169 1.00 0.00 C ATOM 0 H PHE A 73 0.739 -11.243 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 73 2.913 -10.921 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.309 -8.929 -0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.995 -9.254 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.892 -8.805 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.943 -7.676 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.784 -7.273 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.837 -6.142 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.759 -5.942 -5.013 1.00 0.00 H new ATOM 1186 N GLY A 74 2.891 -12.897 -0.120 1.00 0.00 N ATOM 1187 CA GLY A 74 3.551 -13.887 0.710 1.00 0.00 C ATOM 1188 C GLY A 74 3.506 -13.531 2.183 1.00 0.00 C ATOM 1189 O GLY A 74 4.283 -14.058 2.979 1.00 0.00 O ATOM 0 H GLY A 74 2.018 -13.208 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.078 -14.857 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.590 -13.987 0.395 1.00 0.00 H new ATOM 1193 N ARG A 75 2.595 -12.635 2.546 1.00 0.00 N ATOM 1194 CA ARG A 75 2.454 -12.207 3.933 1.00 0.00 C ATOM 1195 C ARG A 75 0.982 -12.106 4.324 1.00 0.00 C ATOM 1196 O ARG A 75 0.117 -11.880 3.477 1.00 0.00 O ATOM 1197 CB ARG A 75 3.143 -10.858 4.145 1.00 0.00 C ATOM 1198 CG ARG A 75 2.629 -9.760 3.228 1.00 0.00 C ATOM 1199 CD ARG A 75 3.093 -8.387 3.688 1.00 0.00 C ATOM 1200 NE ARG A 75 4.428 -8.429 4.277 1.00 0.00 N ATOM 1201 CZ ARG A 75 5.541 -8.577 3.566 1.00 0.00 C ATOM 1202 NH1 ARG A 75 5.478 -8.696 2.247 1.00 0.00 N ATOM 1203 NH2 ARG A 75 6.720 -8.605 4.174 1.00 0.00 N ATOM 0 H ARG A 75 1.943 -12.191 1.899 1.00 0.00 H new ATOM 0 HA ARG A 75 2.930 -12.954 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.005 -10.548 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.215 -10.979 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.977 -9.941 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.540 -9.787 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.092 -7.702 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.387 -7.992 4.418 1.00 0.00 H new ATOM 0 HE ARG A 75 4.511 -8.340 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.574 -8.674 1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.334 -8.809 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.773 -8.513 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.573 -8.719 3.627 1.00 0.00 H new ATOM 1217 N THR A 76 0.705 -12.274 5.613 1.00 0.00 N ATOM 1218 CA THR A 76 -0.661 -12.204 6.116 1.00 0.00 C ATOM 1219 C THR A 76 -1.093 -10.758 6.333 1.00 0.00 C ATOM 1220 O THR A 76 -0.303 -9.924 6.777 1.00 0.00 O ATOM 1221 CB THR A 76 -0.813 -12.977 7.440 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.338 -14.319 7.280 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.266 -12.998 7.891 1.00 0.00 C ATOM 0 H THR A 76 1.409 -12.460 6.328 1.00 0.00 H new ATOM 0 HA THR A 76 -1.300 -12.662 5.361 1.00 0.00 H new ATOM 0 HB THR A 76 -0.221 -12.470 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.436 -14.804 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.348 -13.549 8.828 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.616 -11.976 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.876 -13.483 7.129 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.351 -10.468 6.019 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.888 -9.122 6.182 1.00 0.00 C ATOM 1233 C ILE A 77 -4.151 -9.134 7.036 1.00 0.00 C ATOM 1234 O ILE A 77 -4.786 -10.175 7.209 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.207 -8.475 4.821 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.057 -9.420 3.970 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.922 -8.109 4.094 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.706 -8.745 2.782 1.00 0.00 C ATOM 0 H ILE A 77 -3.017 -11.146 5.650 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.119 -8.534 6.683 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.776 -7.561 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.431 -10.239 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.833 -9.861 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.164 -7.653 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.351 -7.403 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.329 -9.008 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.293 -9.475 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.359 -7.944 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.935 -8.328 2.134 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.511 -7.970 7.566 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.699 -7.846 8.402 1.00 0.00 C ATOM 1252 C ARG A 78 -6.723 -6.916 7.756 1.00 0.00 C ATOM 1253 O ARG A 78 -6.397 -5.800 7.353 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.321 -7.321 9.788 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.908 -8.414 10.761 1.00 0.00 C ATOM 1256 CD ARG A 78 -3.417 -8.701 10.675 1.00 0.00 C ATOM 1257 NE ARG A 78 -2.949 -9.506 11.801 1.00 0.00 N ATOM 1258 CZ ARG A 78 -1.673 -9.813 12.004 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -0.742 -9.385 11.162 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -1.326 -10.550 13.051 1.00 0.00 N ATOM 0 H ARG A 78 -3.997 -7.099 7.431 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.145 -8.835 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.503 -6.608 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.168 -6.776 10.205 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.164 -8.114 11.777 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.468 -9.324 10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.201 -9.222 9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.868 -7.760 10.649 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.640 -9.851 12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.005 -8.818 10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.237 -9.622 11.321 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.039 -10.881 13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.346 -10.786 13.207 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.963 -7.385 7.662 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.035 -6.596 7.066 1.00 0.00 C ATOM 1276 C VAL A 79 -10.216 -6.464 8.021 1.00 0.00 C ATOM 1277 O VAL A 79 -10.660 -7.446 8.616 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.525 -7.221 5.746 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.560 -6.325 5.083 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.352 -7.477 4.811 1.00 0.00 C ATOM 0 H VAL A 79 -8.250 -8.307 7.991 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.624 -5.607 6.861 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.998 -8.177 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.895 -6.783 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.412 -6.197 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.116 -5.352 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.716 -7.919 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.849 -6.535 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.650 -8.161 5.287 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.721 -5.243 8.163 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.852 -4.982 9.047 1.00 0.00 C ATOM 1292 C ASN A 80 -12.401 -3.576 8.826 1.00 0.00 C ATOM 1293 O ASN A 80 -11.754 -2.735 8.200 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.434 -5.154 10.509 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.622 -5.358 11.429 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -13.232 -6.427 11.446 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -12.955 -4.330 12.201 1.00 0.00 N ATOM 0 H ASN A 80 -10.366 -4.419 7.678 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.637 -5.701 8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.761 -6.007 10.594 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.876 -4.275 10.830 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.745 -4.408 12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.421 -3.462 12.154 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.599 -3.326 9.344 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.236 -2.022 9.204 1.00 0.00 C ATOM 1306 C LEU A 81 -13.315 -0.910 9.696 1.00 0.00 C ATOM 1307 O LEU A 81 -12.726 -1.008 10.772 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.553 -1.989 9.983 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.677 -2.869 9.436 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.907 -2.779 10.326 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.020 -2.470 8.008 1.00 0.00 C ATOM 0 H LEU A 81 -14.148 -4.010 9.865 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.441 -1.858 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.352 -2.289 11.011 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -15.908 -0.959 10.015 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.332 -3.903 9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.696 -3.412 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.654 -3.114 11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.254 -1.746 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.822 -3.107 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.344 -1.430 7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.140 -2.587 7.376 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.196 0.148 8.900 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.349 1.280 9.256 1.00 0.00 C ATOM 1325 C ALA A 82 -12.663 1.780 10.663 1.00 0.00 C ATOM 1326 O ALA A 82 -13.827 1.954 11.026 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.519 2.404 8.245 1.00 0.00 C ATOM 0 H ALA A 82 -13.675 0.245 8.005 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.312 0.945 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.881 3.243 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.238 2.047 7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.560 2.728 8.233 1.00 0.00 H new