USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot -138:sc= 0.322 USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= 0.243 USER MOD Set 2.1: A 22 GLN : amide:sc= 0.227 K(o=1.8,f=-4.5!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 137:sc= 1.38 (180deg=0.948) USER MOD Set 2.3: A 26 GLN : amide:sc= 0.156 K(o=1.8,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.147 (180deg=-1.35) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0917 F(o=-1.1,f=-0.092) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ILE N :NH3+ 175:sc= -0.243 (180deg=-0.391) USER MOD Single : A 10 CYS SG : rot 78:sc= 0.348 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0497 (180deg=-0.333) USER MOD Single : A 35 MET CE :methyl -145:sc= -0.202 (180deg=-0.761) USER MOD Single : A 36 THR OG1 : rot 18:sc= 0.918 USER MOD Single : A 39 SER OG : rot 160:sc= 0.249 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0238 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 46.732 8.822 30.143 1.00 0.00 N ATOM 182 CA ILE A -3 46.958 9.072 28.728 1.00 0.00 C ATOM 183 C ILE A -3 48.372 9.585 28.461 1.00 0.00 C ATOM 184 O ILE A -3 49.045 9.095 27.572 1.00 0.00 O ATOM 185 CB ILE A -3 45.929 10.078 28.154 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.721 11.260 29.116 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.611 9.377 27.856 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.783 12.325 28.586 1.00 0.00 C ATOM 0 H1 ILE A -3 45.738 8.557 30.294 1.00 0.00 H new ATOM 0 H2 ILE A -3 47.349 8.048 30.462 1.00 0.00 H new ATOM 0 H3 ILE A -3 46.947 9.682 30.686 1.00 0.00 H new ATOM 0 HA ILE A -3 46.833 8.114 28.224 1.00 0.00 H new ATOM 0 HB ILE A -3 46.323 10.477 27.219 1.00 0.00 H new ATOM 0 HG12 ILE A -3 45.330 10.882 30.061 1.00 0.00 H new ATOM 0 HG13 ILE A -3 46.688 11.715 29.331 1.00 0.00 H new ATOM 0 HG21 ILE A -3 43.899 10.097 27.453 1.00 0.00 H new ATOM 0 HG22 ILE A -3 44.777 8.584 27.126 1.00 0.00 H new ATOM 0 HG23 ILE A -3 44.212 8.947 28.775 1.00 0.00 H new ATOM 0 HD11 ILE A -3 44.688 13.124 29.321 1.00 0.00 H new ATOM 0 HD12 ILE A -3 45.182 12.732 27.657 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.803 11.886 28.398 1.00 0.00 H new ATOM 200 N GLU A -2 48.829 10.529 29.278 1.00 0.00 N ATOM 201 CA GLU A -2 50.144 11.142 29.094 1.00 0.00 C ATOM 202 C GLU A -2 51.266 10.115 29.255 1.00 0.00 C ATOM 203 O GLU A -2 52.307 10.201 28.598 1.00 0.00 O ATOM 204 CB GLU A -2 50.334 12.287 30.093 1.00 0.00 C ATOM 205 CG GLU A -2 51.647 13.035 29.934 1.00 0.00 C ATOM 206 CD GLU A -2 51.845 14.093 30.992 1.00 0.00 C ATOM 207 OE1 GLU A -2 52.308 13.750 32.100 1.00 0.00 O ATOM 208 OE2 GLU A -2 51.547 15.279 30.723 1.00 0.00 O ATOM 0 H GLU A -2 48.307 10.888 30.077 1.00 0.00 H new ATOM 0 HA GLU A -2 50.192 11.536 28.079 1.00 0.00 H new ATOM 0 HB2 GLU A -2 49.510 12.992 29.982 1.00 0.00 H new ATOM 0 HB3 GLU A -2 50.277 11.886 31.105 1.00 0.00 H new ATOM 0 HG2 GLU A -2 52.473 12.325 29.977 1.00 0.00 H new ATOM 0 HG3 GLU A -2 51.678 13.501 28.949 1.00 0.00 H new ATOM 215 N GLY A -1 51.046 9.136 30.116 1.00 0.00 N ATOM 216 CA GLY A -1 52.053 8.129 30.368 1.00 0.00 C ATOM 217 C GLY A -1 52.094 7.051 29.302 1.00 0.00 C ATOM 218 O GLY A -1 52.950 6.165 29.344 1.00 0.00 O ATOM 0 H GLY A -1 50.183 9.020 30.648 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.030 8.608 30.430 1.00 0.00 H new ATOM 0 HA3 GLY A -1 51.862 7.667 31.337 1.00 0.00 H new ATOM 222 N ARG A 0 51.173 7.113 28.351 1.00 0.00 N ATOM 223 CA ARG A 0 51.110 6.113 27.289 1.00 0.00 C ATOM 224 C ARG A 0 51.235 6.768 25.930 1.00 0.00 C ATOM 225 O ARG A 0 52.060 6.371 25.100 1.00 0.00 O ATOM 226 CB ARG A 0 49.785 5.350 27.346 1.00 0.00 C ATOM 227 CG ARG A 0 49.356 4.965 28.742 1.00 0.00 C ATOM 228 CD ARG A 0 50.308 3.967 29.381 1.00 0.00 C ATOM 229 NE ARG A 0 49.958 3.708 30.781 1.00 0.00 N ATOM 230 CZ ARG A 0 50.152 2.541 31.405 1.00 0.00 C ATOM 231 NH1 ARG A 0 50.690 1.515 30.755 1.00 0.00 N ATOM 232 NH2 ARG A 0 49.809 2.403 32.679 1.00 0.00 N ATOM 0 H ARG A 0 50.461 7.841 28.291 1.00 0.00 H new ATOM 0 HA ARG A 0 51.938 5.420 27.438 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.005 5.963 26.894 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.872 4.447 26.742 1.00 0.00 H new ATOM 0 HG2 ARG A 0 49.300 5.859 29.363 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.354 4.538 28.707 1.00 0.00 H new ATOM 0 HD2 ARG A 0 50.286 3.032 28.821 1.00 0.00 H new ATOM 0 HD3 ARG A 0 51.328 4.348 29.325 1.00 0.00 H new ATOM 0 HE ARG A 0 49.538 4.469 31.315 1.00 0.00 H new ATOM 0 HH11 ARG A 0 50.957 1.615 29.776 1.00 0.00 H new ATOM 0 HH12 ARG A 0 50.836 0.627 31.235 1.00 0.00 H new ATOM 0 HH21 ARG A 0 49.397 3.187 33.184 1.00 0.00 H new ATOM 0 HH22 ARG A 0 49.958 1.512 33.154 1.00 0.00 H new ATOM 246 N MET A 1 50.415 7.777 25.709 1.00 0.00 N ATOM 247 CA MET A 1 50.361 8.465 24.444 1.00 0.00 C ATOM 248 C MET A 1 50.394 9.983 24.639 1.00 0.00 C ATOM 249 O MET A 1 49.513 10.553 25.273 1.00 0.00 O ATOM 250 CB MET A 1 49.090 8.039 23.672 1.00 0.00 C ATOM 251 CG MET A 1 47.798 8.162 24.474 1.00 0.00 C ATOM 252 SD MET A 1 46.342 7.588 23.567 1.00 0.00 S ATOM 253 CE MET A 1 46.750 5.861 23.300 1.00 0.00 C ATOM 0 H MET A 1 49.767 8.140 26.408 1.00 0.00 H new ATOM 0 HA MET A 1 51.240 8.190 23.861 1.00 0.00 H new ATOM 0 HB2 MET A 1 49.005 8.648 22.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.206 7.005 23.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.894 7.588 25.396 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.653 9.204 24.760 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.840 5.301 23.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.437 5.775 22.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.222 5.456 24.195 1.00 0.00 H new ATOM 263 N ASP A 2 51.419 10.632 24.105 1.00 0.00 N ATOM 264 CA ASP A 2 51.531 12.085 24.201 1.00 0.00 C ATOM 265 C ASP A 2 51.989 12.672 22.871 1.00 0.00 C ATOM 266 O ASP A 2 52.353 11.932 21.951 1.00 0.00 O ATOM 267 CB ASP A 2 52.482 12.506 25.336 1.00 0.00 C ATOM 268 CG ASP A 2 53.955 12.319 25.006 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.484 11.208 25.229 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.596 13.291 24.557 1.00 0.00 O ATOM 0 H ASP A 2 52.183 10.180 23.602 1.00 0.00 H new ATOM 0 HA ASP A 2 50.543 12.480 24.437 1.00 0.00 H new ATOM 0 HB2 ASP A 2 52.304 13.554 25.576 1.00 0.00 H new ATOM 0 HB3 ASP A 2 52.244 11.929 26.230 1.00 0.00 H new ATOM 275 N VAL A 3 51.963 14.000 22.768 1.00 0.00 N ATOM 276 CA VAL A 3 52.344 14.695 21.537 1.00 0.00 C ATOM 277 C VAL A 3 53.771 14.343 21.125 1.00 0.00 C ATOM 278 O VAL A 3 54.729 14.637 21.841 1.00 0.00 O ATOM 279 CB VAL A 3 52.214 16.232 21.688 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.594 16.940 20.395 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.799 16.606 22.102 1.00 0.00 C ATOM 0 H VAL A 3 51.680 14.620 23.527 1.00 0.00 H new ATOM 0 HA VAL A 3 51.657 14.362 20.759 1.00 0.00 H new ATOM 0 HB VAL A 3 52.904 16.556 22.467 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.494 18.017 20.527 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.626 16.700 20.138 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.934 16.610 19.592 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.724 17.689 22.204 1.00 0.00 H new ATOM 0 HG22 VAL A 3 50.095 16.263 21.343 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.562 16.135 23.056 1.00 0.00 H new ATOM 291 N GLY A 4 53.902 13.719 19.968 1.00 0.00 N ATOM 292 CA GLY A 4 55.200 13.301 19.491 1.00 0.00 C ATOM 293 C GLY A 4 55.277 11.799 19.332 1.00 0.00 C ATOM 294 O GLY A 4 56.129 11.284 18.607 1.00 0.00 O ATOM 0 H GLY A 4 53.126 13.493 19.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.408 13.780 18.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.969 13.634 20.188 1.00 0.00 H new ATOM 298 N GLN A 5 54.386 11.095 20.015 1.00 0.00 N ATOM 299 CA GLN A 5 54.326 9.646 19.930 1.00 0.00 C ATOM 300 C GLN A 5 53.448 9.221 18.770 1.00 0.00 C ATOM 301 O GLN A 5 52.657 10.012 18.254 1.00 0.00 O ATOM 302 CB GLN A 5 53.787 9.047 21.234 1.00 0.00 C ATOM 303 CG GLN A 5 54.727 9.185 22.419 1.00 0.00 C ATOM 304 CD GLN A 5 56.009 8.381 22.256 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.923 7.247 21.573 1.00 0.00 O flip ATOM 306 NE2 GLN A 5 57.064 8.774 22.754 1.00 0.00 N flip ATOM 0 H GLN A 5 53.692 11.508 20.637 1.00 0.00 H new ATOM 0 HA GLN A 5 55.338 9.275 19.766 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.840 9.529 21.478 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.575 7.990 21.074 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.979 10.237 22.556 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.213 8.860 23.324 1.00 0.00 H new ATOM 0 HE21 GLN A 5 57.087 9.652 23.272 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.915 8.221 22.649 1.00 0.00 H new ATOM 315 N LYS A 6 53.591 7.985 18.360 1.00 0.00 N ATOM 316 CA LYS A 6 52.800 7.441 17.282 1.00 0.00 C ATOM 317 C LYS A 6 51.736 6.510 17.815 1.00 0.00 C ATOM 318 O LYS A 6 51.964 5.758 18.771 1.00 0.00 O ATOM 319 CB LYS A 6 53.680 6.697 16.284 1.00 0.00 C ATOM 320 CG LYS A 6 54.608 7.589 15.480 1.00 0.00 C ATOM 321 CD LYS A 6 55.318 6.798 14.393 1.00 0.00 C ATOM 322 CE LYS A 6 55.994 5.569 14.967 1.00 0.00 C ATOM 323 NZ LYS A 6 56.748 4.815 13.938 1.00 0.00 N ATOM 0 H LYS A 6 54.258 7.327 18.763 1.00 0.00 H new ATOM 0 HA LYS A 6 52.317 8.275 16.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.278 5.962 16.823 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.041 6.144 15.596 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.038 8.401 15.030 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.344 8.045 16.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 54.601 6.499 13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.059 7.430 13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.672 5.869 15.766 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.243 4.918 15.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.194 3.983 14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.097 4.506 13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.483 5.427 13.528 1.00 0.00 H new ATOM 337 N VAL A 7 50.578 6.561 17.203 1.00 0.00 N ATOM 338 CA VAL A 7 49.472 5.721 17.585 1.00 0.00 C ATOM 339 C VAL A 7 48.823 5.104 16.364 1.00 0.00 C ATOM 340 O VAL A 7 48.952 5.616 15.248 1.00 0.00 O ATOM 341 CB VAL A 7 48.402 6.485 18.406 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.909 6.785 19.808 1.00 0.00 C ATOM 343 CG2 VAL A 7 47.996 7.767 17.701 1.00 0.00 C ATOM 0 H VAL A 7 50.377 7.188 16.424 1.00 0.00 H new ATOM 0 HA VAL A 7 49.884 4.937 18.221 1.00 0.00 H new ATOM 0 HB VAL A 7 47.522 5.847 18.490 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.141 7.322 20.365 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.142 5.850 20.318 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.808 7.398 19.746 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.244 8.287 18.295 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.869 8.408 17.580 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.582 7.528 16.721 1.00 0.00 H new ATOM 353 N ARG A 8 48.146 4.011 16.573 1.00 0.00 N ATOM 354 CA ARG A 8 47.475 3.304 15.509 1.00 0.00 C ATOM 355 C ARG A 8 46.040 3.039 15.900 1.00 0.00 C ATOM 356 O ARG A 8 45.765 2.687 17.044 1.00 0.00 O ATOM 357 CB ARG A 8 48.196 1.983 15.229 1.00 0.00 C ATOM 358 CG ARG A 8 47.572 1.148 14.124 1.00 0.00 C ATOM 359 CD ARG A 8 48.374 -0.117 13.864 1.00 0.00 C ATOM 360 NE ARG A 8 48.394 -1.011 15.026 1.00 0.00 N ATOM 361 CZ ARG A 8 49.264 -2.015 15.191 1.00 0.00 C ATOM 362 NH1 ARG A 8 50.168 -2.281 14.259 1.00 0.00 N ATOM 363 NH2 ARG A 8 49.223 -2.752 16.288 1.00 0.00 N ATOM 0 H ARG A 8 48.041 3.579 17.491 1.00 0.00 H new ATOM 0 HA ARG A 8 47.490 3.913 14.605 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.231 2.198 14.965 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.217 1.393 16.145 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.551 0.883 14.399 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.513 1.738 13.209 1.00 0.00 H new ATOM 0 HD2 ARG A 8 47.950 -0.644 13.010 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.396 0.152 13.597 1.00 0.00 H new ATOM 0 HE ARG A 8 47.699 -0.858 15.757 1.00 0.00 H new ATOM 0 HH11 ARG A 8 50.204 -1.719 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 8 50.827 -3.048 14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 8 48.528 -2.556 17.009 1.00 0.00 H new ATOM 0 HH22 ARG A 8 49.886 -3.517 16.414 1.00 0.00 H new ATOM 377 N VAL A 9 45.127 3.228 14.970 1.00 0.00 N ATOM 378 CA VAL A 9 43.727 2.961 15.235 1.00 0.00 C ATOM 379 C VAL A 9 43.533 1.460 15.400 1.00 0.00 C ATOM 380 O VAL A 9 43.616 0.698 14.433 1.00 0.00 O ATOM 381 CB VAL A 9 42.822 3.495 14.107 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.354 3.382 14.491 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.178 4.936 13.783 1.00 0.00 C ATOM 0 H VAL A 9 45.327 3.564 14.028 1.00 0.00 H new ATOM 0 HA VAL A 9 43.442 3.478 16.151 1.00 0.00 H new ATOM 0 HB VAL A 9 42.987 2.886 13.218 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.735 3.765 13.680 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.105 2.337 14.675 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.168 3.963 15.394 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.531 5.300 12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.041 5.553 14.671 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.218 4.990 13.460 1.00 0.00 H new ATOM 393 N CYS A 10 43.306 1.043 16.631 1.00 0.00 N ATOM 394 CA CYS A 10 43.210 -0.367 16.968 1.00 0.00 C ATOM 395 C CYS A 10 41.782 -0.867 16.834 1.00 0.00 C ATOM 396 O CYS A 10 41.544 -2.022 16.464 1.00 0.00 O ATOM 397 CB CYS A 10 43.699 -0.580 18.402 1.00 0.00 C ATOM 398 SG CYS A 10 44.132 -2.288 18.804 1.00 0.00 S ATOM 0 H CYS A 10 43.183 1.670 17.426 1.00 0.00 H new ATOM 0 HA CYS A 10 43.833 -0.931 16.274 1.00 0.00 H new ATOM 0 HB2 CYS A 10 44.571 0.052 18.572 1.00 0.00 H new ATOM 0 HB3 CYS A 10 42.923 -0.244 19.090 1.00 0.00 H new ATOM 0 HG CYS A 10 45.304 -2.565 18.315 1.00 0.00 H new ATOM 404 N ARG A 11 40.845 0.002 17.123 1.00 0.00 N ATOM 405 CA ARG A 11 39.442 -0.348 17.098 1.00 0.00 C ATOM 406 C ARG A 11 38.625 0.859 16.703 1.00 0.00 C ATOM 407 O ARG A 11 39.158 1.955 16.610 1.00 0.00 O ATOM 408 CB ARG A 11 39.013 -0.846 18.481 1.00 0.00 C ATOM 409 CG ARG A 11 39.267 0.159 19.593 1.00 0.00 C ATOM 410 CD ARG A 11 38.942 -0.413 20.961 1.00 0.00 C ATOM 411 NE ARG A 11 39.836 -1.518 21.325 1.00 0.00 N ATOM 412 CZ ARG A 11 40.694 -1.492 22.355 1.00 0.00 C ATOM 413 NH1 ARG A 11 40.817 -0.396 23.099 1.00 0.00 N ATOM 414 NH2 ARG A 11 41.432 -2.563 22.634 1.00 0.00 N ATOM 0 H ARG A 11 41.031 0.971 17.382 1.00 0.00 H new ATOM 0 HA ARG A 11 39.277 -1.141 16.368 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.951 -1.089 18.457 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.546 -1.769 18.708 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.311 0.470 19.569 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.665 1.051 19.420 1.00 0.00 H new ATOM 0 HD2 ARG A 11 39.017 0.375 21.710 1.00 0.00 H new ATOM 0 HD3 ARG A 11 37.910 -0.764 20.971 1.00 0.00 H new ATOM 0 HE ARG A 11 39.802 -2.364 20.756 1.00 0.00 H new ATOM 0 HH11 ARG A 11 40.257 0.430 22.887 1.00 0.00 H new ATOM 0 HH12 ARG A 11 41.471 -0.382 23.881 1.00 0.00 H new ATOM 0 HH21 ARG A 11 41.345 -3.405 22.064 1.00 0.00 H new ATOM 0 HH22 ARG A 11 42.085 -2.543 23.418 1.00 0.00 H new ATOM 428 N ILE A 12 37.352 0.656 16.455 1.00 0.00 N ATOM 429 CA ILE A 12 36.471 1.747 16.095 1.00 0.00 C ATOM 430 C ILE A 12 35.312 1.805 17.069 1.00 0.00 C ATOM 431 O ILE A 12 34.558 0.839 17.211 1.00 0.00 O ATOM 432 CB ILE A 12 35.939 1.604 14.658 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.107 1.409 13.684 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.122 2.831 14.280 1.00 0.00 C ATOM 435 CD1 ILE A 12 36.694 1.269 12.238 1.00 0.00 C ATOM 0 H ILE A 12 36.900 -0.258 16.496 1.00 0.00 H new ATOM 0 HA ILE A 12 37.046 2.672 16.143 1.00 0.00 H new ATOM 0 HB ILE A 12 35.292 0.729 14.601 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.786 2.257 13.775 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.665 0.520 13.978 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.750 2.721 13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.280 2.933 14.965 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.750 3.720 14.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 37.580 1.135 11.618 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.040 0.404 12.128 1.00 0.00 H new ATOM 0 HD13 ILE A 12 36.163 2.167 11.923 1.00 0.00 H new ATOM 447 N ARG A 13 35.174 2.924 17.737 1.00 0.00 N ATOM 448 CA ARG A 13 34.162 3.076 18.760 1.00 0.00 C ATOM 449 C ARG A 13 32.868 3.673 18.224 1.00 0.00 C ATOM 450 O ARG A 13 32.883 4.622 17.432 1.00 0.00 O ATOM 451 CB ARG A 13 34.703 3.932 19.903 1.00 0.00 C ATOM 452 CG ARG A 13 35.862 3.288 20.641 1.00 0.00 C ATOM 453 CD ARG A 13 36.458 4.220 21.681 1.00 0.00 C ATOM 454 NE ARG A 13 35.466 4.678 22.658 1.00 0.00 N ATOM 455 CZ ARG A 13 35.202 4.064 23.816 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.802 2.915 24.125 1.00 0.00 N ATOM 457 NH2 ARG A 13 34.330 4.593 24.656 1.00 0.00 N ATOM 0 H ARG A 13 35.754 3.750 17.591 1.00 0.00 H new ATOM 0 HA ARG A 13 33.922 2.078 19.126 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.025 4.895 19.506 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.898 4.132 20.610 1.00 0.00 H new ATOM 0 HG2 ARG A 13 35.521 2.374 21.126 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.633 3.001 19.926 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.267 3.708 22.202 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.897 5.084 21.181 1.00 0.00 H new ATOM 0 HE ARG A 13 34.940 5.524 22.439 1.00 0.00 H new ATOM 0 HH11 ARG A 13 36.469 2.497 23.476 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.595 2.453 25.011 1.00 0.00 H new ATOM 0 HH21 ARG A 13 33.860 5.467 24.420 1.00 0.00 H new ATOM 0 HH22 ARG A 13 34.126 4.127 25.540 1.00 0.00 H new ATOM 471 N ASP A 14 31.754 3.083 18.658 1.00 0.00 N ATOM 472 CA ASP A 14 30.395 3.560 18.360 1.00 0.00 C ATOM 473 C ASP A 14 29.983 3.356 16.898 1.00 0.00 C ATOM 474 O ASP A 14 29.183 2.468 16.593 1.00 0.00 O ATOM 475 CB ASP A 14 30.224 5.030 18.766 1.00 0.00 C ATOM 476 CG ASP A 14 28.788 5.506 18.660 1.00 0.00 C ATOM 477 OD1 ASP A 14 28.048 5.394 19.659 1.00 0.00 O ATOM 478 OD2 ASP A 14 28.397 6.020 17.589 1.00 0.00 O ATOM 0 H ASP A 14 31.767 2.244 19.238 1.00 0.00 H new ATOM 0 HA ASP A 14 29.725 2.944 18.960 1.00 0.00 H new ATOM 0 HB2 ASP A 14 30.571 5.162 19.791 1.00 0.00 H new ATOM 0 HB3 ASP A 14 30.856 5.653 18.133 1.00 0.00 H new ATOM 483 N ARG A 15 30.530 4.161 16.006 1.00 0.00 N ATOM 484 CA ARG A 15 30.130 4.134 14.607 1.00 0.00 C ATOM 485 C ARG A 15 31.355 4.176 13.701 1.00 0.00 C ATOM 486 O ARG A 15 32.263 4.974 13.912 1.00 0.00 O ATOM 487 CB ARG A 15 29.194 5.336 14.331 1.00 0.00 C ATOM 488 CG ARG A 15 28.492 5.344 12.969 1.00 0.00 C ATOM 489 CD ARG A 15 29.410 5.804 11.841 1.00 0.00 C ATOM 490 NE ARG A 15 30.035 7.101 12.123 1.00 0.00 N ATOM 491 CZ ARG A 15 30.205 8.073 11.224 1.00 0.00 C ATOM 492 NH1 ARG A 15 29.794 7.909 9.974 1.00 0.00 N ATOM 493 NH2 ARG A 15 30.797 9.205 11.577 1.00 0.00 N ATOM 0 H ARG A 15 31.255 4.845 16.224 1.00 0.00 H new ATOM 0 HA ARG A 15 29.596 3.208 14.395 1.00 0.00 H new ATOM 0 HB2 ARG A 15 28.432 5.364 15.110 1.00 0.00 H new ATOM 0 HB3 ARG A 15 29.777 6.253 14.422 1.00 0.00 H new ATOM 0 HG2 ARG A 15 28.124 4.342 12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 15 27.623 6.000 13.016 1.00 0.00 H new ATOM 0 HD2 ARG A 15 30.187 5.056 11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.838 5.873 10.916 1.00 0.00 H new ATOM 0 HE ARG A 15 30.363 7.272 13.074 1.00 0.00 H new ATOM 0 HH11 ARG A 15 29.345 7.037 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 15 29.927 8.655 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 15 31.122 9.333 12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 15 30.927 9.948 10.890 1.00 0.00 H new ATOM 507 N VAL A 16 31.374 3.315 12.692 1.00 0.00 N ATOM 508 CA VAL A 16 32.485 3.268 11.757 1.00 0.00 C ATOM 509 C VAL A 16 32.278 4.261 10.625 1.00 0.00 C ATOM 510 O VAL A 16 31.349 4.123 9.827 1.00 0.00 O ATOM 511 CB VAL A 16 32.650 1.849 11.153 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.773 1.818 10.125 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.898 0.824 12.249 1.00 0.00 C ATOM 0 H VAL A 16 30.632 2.641 12.502 1.00 0.00 H new ATOM 0 HA VAL A 16 33.386 3.528 12.313 1.00 0.00 H new ATOM 0 HB VAL A 16 31.721 1.591 10.644 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.866 0.811 9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.547 2.516 9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.710 2.105 10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.011 -0.165 11.804 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.807 1.084 12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.054 0.817 12.939 1.00 0.00 H new ATOM 523 N ALA A 17 33.132 5.268 10.568 1.00 0.00 N ATOM 524 CA ALA A 17 33.078 6.241 9.496 1.00 0.00 C ATOM 525 C ALA A 17 33.884 5.761 8.301 1.00 0.00 C ATOM 526 O ALA A 17 34.775 4.913 8.447 1.00 0.00 O ATOM 527 CB ALA A 17 33.558 7.605 9.961 1.00 0.00 C ATOM 0 H ALA A 17 33.870 5.432 11.252 1.00 0.00 H new ATOM 0 HA ALA A 17 32.037 6.346 9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.505 8.311 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.926 7.954 10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.589 7.529 10.307 1.00 0.00 H new ATOM 533 N GLN A 18 33.600 6.317 7.135 1.00 0.00 N ATOM 534 CA GLN A 18 34.293 5.933 5.908 1.00 0.00 C ATOM 535 C GLN A 18 35.782 6.271 5.986 1.00 0.00 C ATOM 536 O GLN A 18 36.610 5.625 5.350 1.00 0.00 O ATOM 537 CB GLN A 18 33.652 6.606 4.695 1.00 0.00 C ATOM 538 CG GLN A 18 32.202 6.210 4.478 1.00 0.00 C ATOM 539 CD GLN A 18 31.578 6.899 3.285 1.00 0.00 C ATOM 540 OE1 GLN A 18 31.957 8.013 2.926 1.00 0.00 O ATOM 541 NE2 GLN A 18 30.616 6.244 2.667 1.00 0.00 N ATOM 0 H GLN A 18 32.891 7.040 7.008 1.00 0.00 H new ATOM 0 HA GLN A 18 34.200 4.853 5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.711 7.688 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 18 34.227 6.354 3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 18 32.142 5.130 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 18 31.627 6.450 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 18 30.333 5.322 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 18 30.155 6.659 1.857 1.00 0.00 H new ATOM 550 N ASP A 19 36.116 7.287 6.762 1.00 0.00 N ATOM 551 CA ASP A 19 37.512 7.651 6.964 1.00 0.00 C ATOM 552 C ASP A 19 38.164 6.737 7.982 1.00 0.00 C ATOM 553 O ASP A 19 39.294 6.292 7.795 1.00 0.00 O ATOM 554 CB ASP A 19 37.652 9.109 7.414 1.00 0.00 C ATOM 555 CG ASP A 19 37.777 10.072 6.258 1.00 0.00 C ATOM 556 OD1 ASP A 19 38.915 10.298 5.789 1.00 0.00 O ATOM 557 OD2 ASP A 19 36.748 10.612 5.811 1.00 0.00 O ATOM 0 H ASP A 19 35.446 7.873 7.261 1.00 0.00 H new ATOM 0 HA ASP A 19 38.018 7.537 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.786 9.383 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 19 38.528 9.203 8.055 1.00 0.00 H new ATOM 562 N ILE A 20 37.435 6.433 9.047 1.00 0.00 N ATOM 563 CA ILE A 20 37.962 5.607 10.131 1.00 0.00 C ATOM 564 C ILE A 20 38.282 4.203 9.655 1.00 0.00 C ATOM 565 O ILE A 20 39.278 3.621 10.065 1.00 0.00 O ATOM 566 CB ILE A 20 36.985 5.520 11.322 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.531 6.912 11.739 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.640 4.795 12.493 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.570 6.927 12.911 1.00 0.00 C ATOM 0 H ILE A 20 36.474 6.746 9.186 1.00 0.00 H new ATOM 0 HA ILE A 20 38.878 6.095 10.463 1.00 0.00 H new ATOM 0 HB ILE A 20 36.108 4.952 11.012 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.408 7.506 11.995 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.055 7.397 10.887 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.939 4.741 13.326 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.918 3.786 12.187 1.00 0.00 H new ATOM 0 HG23 ILE A 20 38.532 5.338 12.804 1.00 0.00 H new ATOM 0 HD11 ILE A 20 35.296 7.956 13.144 1.00 0.00 H new ATOM 0 HD12 ILE A 20 34.674 6.362 12.654 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.048 6.473 13.779 1.00 0.00 H new ATOM 581 N ILE A 21 37.448 3.665 8.774 1.00 0.00 N ATOM 582 CA ILE A 21 37.662 2.315 8.274 1.00 0.00 C ATOM 583 C ILE A 21 38.995 2.222 7.505 1.00 0.00 C ATOM 584 O ILE A 21 39.607 1.155 7.418 1.00 0.00 O ATOM 585 CB ILE A 21 36.481 1.822 7.387 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.633 0.328 7.070 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.385 2.633 6.100 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.478 -0.248 6.279 1.00 0.00 C ATOM 0 H ILE A 21 36.627 4.137 8.395 1.00 0.00 H new ATOM 0 HA ILE A 21 37.711 1.656 9.141 1.00 0.00 H new ATOM 0 HB ILE A 21 35.557 1.967 7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.556 0.177 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.733 -0.224 8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.552 2.267 5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.223 3.683 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.311 2.530 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.657 -1.307 6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.554 -0.130 6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.390 0.277 5.328 1.00 0.00 H new ATOM 600 N GLN A 22 39.443 3.356 6.975 1.00 0.00 N ATOM 601 CA GLN A 22 40.709 3.429 6.263 1.00 0.00 C ATOM 602 C GLN A 22 41.852 3.561 7.252 1.00 0.00 C ATOM 603 O GLN A 22 42.912 2.963 7.088 1.00 0.00 O ATOM 604 CB GLN A 22 40.726 4.637 5.331 1.00 0.00 C ATOM 605 CG GLN A 22 41.958 4.707 4.446 1.00 0.00 C ATOM 606 CD GLN A 22 42.122 6.055 3.784 1.00 0.00 C ATOM 607 OE1 GLN A 22 42.763 6.951 4.334 1.00 0.00 O ATOM 608 NE2 GLN A 22 41.555 6.212 2.609 1.00 0.00 N ATOM 0 H GLN A 22 38.941 4.242 7.028 1.00 0.00 H new ATOM 0 HA GLN A 22 40.826 2.516 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 22 39.837 4.611 4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.666 5.547 5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 22 42.843 4.490 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 22 41.894 3.935 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 22 41.033 5.444 2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 22 41.637 7.102 2.118 1.00 0.00 H new ATOM 617 N LYS A 23 41.617 4.342 8.288 1.00 0.00 N ATOM 618 CA LYS A 23 42.629 4.622 9.291 1.00 0.00 C ATOM 619 C LYS A 23 42.801 3.443 10.248 1.00 0.00 C ATOM 620 O LYS A 23 43.781 3.371 10.985 1.00 0.00 O ATOM 621 CB LYS A 23 42.249 5.884 10.063 1.00 0.00 C ATOM 622 CG LYS A 23 41.870 7.066 9.170 1.00 0.00 C ATOM 623 CD LYS A 23 42.918 8.150 9.174 1.00 0.00 C ATOM 624 CE LYS A 23 44.020 7.858 8.179 1.00 0.00 C ATOM 625 NZ LYS A 23 43.592 8.101 6.780 1.00 0.00 N ATOM 0 H LYS A 23 40.722 4.800 8.459 1.00 0.00 H new ATOM 0 HA LYS A 23 43.582 4.780 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.412 5.656 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.085 6.175 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.720 6.713 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.920 7.482 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.454 9.107 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.343 8.243 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.886 8.481 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.337 6.821 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.350 8.594 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.392 7.192 6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.733 8.688 6.777 1.00 0.00 H new ATOM 639 N LEU A 24 41.838 2.531 10.243 1.00 0.00 N ATOM 640 CA LEU A 24 41.902 1.343 11.079 1.00 0.00 C ATOM 641 C LEU A 24 43.097 0.493 10.655 1.00 0.00 C ATOM 642 O LEU A 24 43.170 0.030 9.510 1.00 0.00 O ATOM 643 CB LEU A 24 40.582 0.543 10.969 1.00 0.00 C ATOM 644 CG LEU A 24 40.292 -0.503 12.076 1.00 0.00 C ATOM 645 CD1 LEU A 24 41.213 -1.708 11.970 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.402 0.128 13.459 1.00 0.00 C ATOM 0 H LEU A 24 41.000 2.593 9.665 1.00 0.00 H new ATOM 0 HA LEU A 24 42.031 1.633 12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.756 1.254 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.578 0.028 10.008 1.00 0.00 H new ATOM 0 HG LEU A 24 39.270 -0.853 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.977 -2.417 12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 41.074 -2.188 11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 24 42.249 -1.384 12.069 1.00 0.00 H new ATOM 0 HD21 LEU A 24 40.194 -0.624 14.220 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.409 0.520 13.601 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.681 0.941 13.546 1.00 0.00 H new ATOM 658 N GLY A 25 44.038 0.310 11.571 1.00 0.00 N ATOM 659 CA GLY A 25 45.234 -0.451 11.271 1.00 0.00 C ATOM 660 C GLY A 25 46.350 0.429 10.734 1.00 0.00 C ATOM 661 O GLY A 25 47.458 -0.041 10.475 1.00 0.00 O ATOM 0 H GLY A 25 43.994 0.677 12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.576 -0.960 12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.998 -1.224 10.539 1.00 0.00 H new ATOM 665 N GLN A 26 46.055 1.707 10.579 1.00 0.00 N ATOM 666 CA GLN A 26 47.014 2.666 10.061 1.00 0.00 C ATOM 667 C GLN A 26 47.701 3.396 11.222 1.00 0.00 C ATOM 668 O GLN A 26 47.061 3.708 12.231 1.00 0.00 O ATOM 669 CB GLN A 26 46.291 3.657 9.148 1.00 0.00 C ATOM 670 CG GLN A 26 47.193 4.441 8.223 1.00 0.00 C ATOM 671 CD GLN A 26 46.413 5.392 7.338 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.253 5.144 7.004 1.00 0.00 O ATOM 673 NE2 GLN A 26 47.037 6.475 6.949 1.00 0.00 N ATOM 0 H GLN A 26 45.146 2.109 10.808 1.00 0.00 H new ATOM 0 HA GLN A 26 47.780 2.148 9.484 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.564 3.111 8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.731 4.358 9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.915 5.005 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.761 3.750 7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.998 6.645 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.563 7.149 6.348 1.00 0.00 H new ATOM 682 N VAL A 27 48.995 3.653 11.083 1.00 0.00 N ATOM 683 CA VAL A 27 49.769 4.313 12.138 1.00 0.00 C ATOM 684 C VAL A 27 49.999 5.795 11.811 1.00 0.00 C ATOM 685 O VAL A 27 50.273 6.150 10.663 1.00 0.00 O ATOM 686 CB VAL A 27 51.146 3.624 12.338 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.887 4.218 13.529 1.00 0.00 C ATOM 688 CG2 VAL A 27 50.983 2.123 12.506 1.00 0.00 C ATOM 0 H VAL A 27 49.535 3.416 10.251 1.00 0.00 H new ATOM 0 HA VAL A 27 49.188 4.231 13.057 1.00 0.00 H new ATOM 0 HB VAL A 27 51.741 3.805 11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.848 3.717 13.646 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.051 5.283 13.362 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.293 4.080 14.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 51.962 1.664 12.644 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.360 1.920 13.377 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.510 1.707 11.617 1.00 0.00 H new ATOM 698 N GLY A 28 49.882 6.644 12.821 1.00 0.00 N ATOM 699 CA GLY A 28 50.114 8.064 12.645 1.00 0.00 C ATOM 700 C GLY A 28 50.773 8.674 13.868 1.00 0.00 C ATOM 701 O GLY A 28 51.015 7.977 14.848 1.00 0.00 O ATOM 0 H GLY A 28 49.628 6.371 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.745 8.225 11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.167 8.567 12.451 1.00 0.00 H new ATOM 705 N GLN A 29 51.049 9.969 13.824 1.00 0.00 N ATOM 706 CA GLN A 29 51.705 10.645 14.940 1.00 0.00 C ATOM 707 C GLN A 29 50.728 11.561 15.674 1.00 0.00 C ATOM 708 O GLN A 29 49.876 12.195 15.054 1.00 0.00 O ATOM 709 CB GLN A 29 52.898 11.467 14.446 1.00 0.00 C ATOM 710 CG GLN A 29 53.715 12.095 15.568 1.00 0.00 C ATOM 711 CD GLN A 29 54.667 13.159 15.073 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.317 14.336 15.013 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.868 12.759 14.719 1.00 0.00 N ATOM 0 H GLN A 29 50.831 10.573 13.032 1.00 0.00 H new ATOM 0 HA GLN A 29 52.057 9.878 15.630 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.548 10.826 13.850 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.536 12.256 13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.039 12.532 16.303 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.281 11.316 16.079 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.117 11.772 14.785 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.551 13.436 14.379 1.00 0.00 H new ATOM 722 N ILE A 30 50.858 11.619 16.989 1.00 0.00 N ATOM 723 CA ILE A 30 50.022 12.482 17.809 1.00 0.00 C ATOM 724 C ILE A 30 50.476 13.931 17.690 1.00 0.00 C ATOM 725 O ILE A 30 51.630 14.257 17.995 1.00 0.00 O ATOM 726 CB ILE A 30 50.083 12.072 19.294 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.670 10.612 19.458 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.197 12.984 20.138 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.765 10.112 20.878 1.00 0.00 C ATOM 0 H ILE A 30 51.540 11.074 17.516 1.00 0.00 H new ATOM 0 HA ILE A 30 48.999 12.379 17.449 1.00 0.00 H new ATOM 0 HB ILE A 30 51.110 12.179 19.643 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.645 10.492 19.107 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.300 9.991 18.821 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.253 12.680 21.183 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.539 14.014 20.041 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.166 12.910 19.793 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.456 9.067 20.917 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.794 10.199 21.226 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.114 10.707 21.518 1.00 0.00 H new ATOM 741 N THR A 31 49.580 14.789 17.249 1.00 0.00 N ATOM 742 CA THR A 31 49.889 16.192 17.102 1.00 0.00 C ATOM 743 C THR A 31 49.119 17.058 18.101 1.00 0.00 C ATOM 744 O THR A 31 49.302 18.280 18.150 1.00 0.00 O ATOM 745 CB THR A 31 49.619 16.668 15.673 1.00 0.00 C ATOM 746 OG1 THR A 31 48.340 16.192 15.226 1.00 0.00 O ATOM 747 CG2 THR A 31 50.707 16.176 14.731 1.00 0.00 C ATOM 0 H THR A 31 48.628 14.536 16.985 1.00 0.00 H new ATOM 0 HA THR A 31 50.952 16.304 17.315 1.00 0.00 H new ATOM 0 HB THR A 31 49.618 17.758 15.669 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.412 15.882 14.299 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.498 16.525 13.720 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.672 16.564 15.056 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.732 15.086 14.741 1.00 0.00 H new ATOM 755 N GLY A 32 48.272 16.430 18.906 1.00 0.00 N ATOM 756 CA GLY A 32 47.517 17.172 19.896 1.00 0.00 C ATOM 757 C GLY A 32 46.437 16.342 20.548 1.00 0.00 C ATOM 758 O GLY A 32 46.235 15.180 20.189 1.00 0.00 O ATOM 0 H GLY A 32 48.095 15.426 18.892 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.197 17.543 20.663 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.064 18.044 19.423 1.00 0.00 H new ATOM 762 N PHE A 33 45.745 16.937 21.505 1.00 0.00 N ATOM 763 CA PHE A 33 44.668 16.272 22.225 1.00 0.00 C ATOM 764 C PHE A 33 43.456 17.183 22.322 1.00 0.00 C ATOM 765 O PHE A 33 43.588 18.407 22.350 1.00 0.00 O ATOM 766 CB PHE A 33 45.120 15.871 23.636 1.00 0.00 C ATOM 767 CG PHE A 33 46.103 14.736 23.674 1.00 0.00 C ATOM 768 CD1 PHE A 33 47.466 14.976 23.623 1.00 0.00 C ATOM 769 CD2 PHE A 33 45.661 13.427 23.766 1.00 0.00 C ATOM 770 CE1 PHE A 33 48.366 13.934 23.662 1.00 0.00 C ATOM 771 CE2 PHE A 33 46.560 12.381 23.806 1.00 0.00 C ATOM 772 CZ PHE A 33 47.912 12.635 23.754 1.00 0.00 C ATOM 0 H PHE A 33 45.913 17.897 21.806 1.00 0.00 H new ATOM 0 HA PHE A 33 44.400 15.372 21.672 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.567 16.739 24.121 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.242 15.595 24.221 1.00 0.00 H new ATOM 0 HD1 PHE A 33 47.827 15.991 23.552 1.00 0.00 H new ATOM 0 HD2 PHE A 33 44.601 13.223 23.807 1.00 0.00 H new ATOM 0 HE1 PHE A 33 49.426 14.134 23.621 1.00 0.00 H new ATOM 0 HE2 PHE A 33 46.203 11.364 23.878 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.617 11.817 23.785 1.00 0.00 H new ATOM 782 N LYS A 34 42.280 16.589 22.357 1.00 0.00 N ATOM 783 CA LYS A 34 41.038 17.336 22.470 1.00 0.00 C ATOM 784 C LYS A 34 40.070 16.627 23.386 1.00 0.00 C ATOM 785 O LYS A 34 39.762 15.463 23.178 1.00 0.00 O ATOM 786 CB LYS A 34 40.386 17.509 21.100 1.00 0.00 C ATOM 787 CG LYS A 34 41.103 18.481 20.193 1.00 0.00 C ATOM 788 CD LYS A 34 40.494 18.490 18.799 1.00 0.00 C ATOM 789 CE LYS A 34 39.104 19.105 18.793 1.00 0.00 C ATOM 790 NZ LYS A 34 39.132 20.540 19.179 1.00 0.00 N ATOM 0 H LYS A 34 42.156 15.578 22.308 1.00 0.00 H new ATOM 0 HA LYS A 34 41.279 18.315 22.884 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.337 16.538 20.608 1.00 0.00 H new ATOM 0 HB3 LYS A 34 39.359 17.848 21.239 1.00 0.00 H new ATOM 0 HG2 LYS A 34 41.055 19.483 20.620 1.00 0.00 H new ATOM 0 HG3 LYS A 34 42.157 18.212 20.130 1.00 0.00 H new ATOM 0 HD2 LYS A 34 41.141 19.049 18.123 1.00 0.00 H new ATOM 0 HD3 LYS A 34 40.441 17.470 18.419 1.00 0.00 H new ATOM 0 HE2 LYS A 34 38.667 19.005 17.800 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.461 18.556 19.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 38.241 20.994 18.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 39.246 20.620 20.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 39.929 21.011 18.705 1.00 0.00 H new ATOM 804 N MET A 35 39.609 17.318 24.402 1.00 0.00 N ATOM 805 CA MET A 35 38.615 16.758 25.304 1.00 0.00 C ATOM 806 C MET A 35 37.296 16.528 24.552 1.00 0.00 C ATOM 807 O MET A 35 36.569 17.472 24.237 1.00 0.00 O ATOM 808 CB MET A 35 38.410 17.672 26.524 1.00 0.00 C ATOM 809 CG MET A 35 38.200 19.144 26.180 1.00 0.00 C ATOM 810 SD MET A 35 37.963 20.184 27.643 1.00 0.00 S ATOM 811 CE MET A 35 36.520 19.422 28.385 1.00 0.00 C ATOM 0 H MET A 35 39.902 18.268 24.629 1.00 0.00 H new ATOM 0 HA MET A 35 38.973 15.796 25.671 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.548 17.317 27.088 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.277 17.584 27.178 1.00 0.00 H new ATOM 0 HG2 MET A 35 39.061 19.507 25.618 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.331 19.239 25.529 1.00 0.00 H new ATOM 0 HE1 MET A 35 35.901 20.190 28.848 1.00 0.00 H new ATOM 0 HE2 MET A 35 35.945 18.907 27.616 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.836 18.705 29.143 1.00 0.00 H new ATOM 821 N THR A 36 37.019 15.277 24.239 1.00 0.00 N ATOM 822 CA THR A 36 35.838 14.925 23.474 1.00 0.00 C ATOM 823 C THR A 36 34.640 14.644 24.372 1.00 0.00 C ATOM 824 O THR A 36 34.767 14.560 25.597 1.00 0.00 O ATOM 825 CB THR A 36 36.109 13.709 22.561 1.00 0.00 C ATOM 826 OG1 THR A 36 36.827 12.694 23.285 1.00 0.00 O ATOM 827 CG2 THR A 36 36.911 14.125 21.338 1.00 0.00 C ATOM 0 H THR A 36 37.600 14.482 24.505 1.00 0.00 H new ATOM 0 HA THR A 36 35.598 15.787 22.852 1.00 0.00 H new ATOM 0 HB THR A 36 35.149 13.308 22.234 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.738 12.854 24.248 1.00 0.00 H new ATOM 0 HG21 THR A 36 37.091 13.254 20.708 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.353 14.872 20.774 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.865 14.547 21.655 1.00 0.00 H new ATOM 835 N ASP A 37 33.478 14.518 23.759 1.00 0.00 N ATOM 836 CA ASP A 37 32.252 14.237 24.487 1.00 0.00 C ATOM 837 C ASP A 37 31.991 12.740 24.524 1.00 0.00 C ATOM 838 O ASP A 37 32.435 11.996 23.639 1.00 0.00 O ATOM 839 CB ASP A 37 31.059 14.972 23.861 1.00 0.00 C ATOM 840 CG ASP A 37 30.782 14.545 22.434 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.362 15.146 21.506 1.00 0.00 O ATOM 842 OD2 ASP A 37 29.983 13.611 22.228 1.00 0.00 O ATOM 0 H ASP A 37 33.356 14.606 22.750 1.00 0.00 H new ATOM 0 HA ASP A 37 32.374 14.598 25.508 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.171 14.793 24.467 1.00 0.00 H new ATOM 0 HB3 ASP A 37 31.249 16.045 23.883 1.00 0.00 H new ATOM 847 N GLY A 38 31.274 12.299 25.541 1.00 0.00 N ATOM 848 CA GLY A 38 30.991 10.890 25.694 1.00 0.00 C ATOM 849 C GLY A 38 32.178 10.147 26.265 1.00 0.00 C ATOM 850 O GLY A 38 32.213 9.834 27.458 1.00 0.00 O ATOM 0 H GLY A 38 30.880 12.895 26.269 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.129 10.760 26.348 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.724 10.464 24.727 1.00 0.00 H new ATOM 854 N SER A 39 33.161 9.891 25.422 1.00 0.00 N ATOM 855 CA SER A 39 34.367 9.211 25.834 1.00 0.00 C ATOM 856 C SER A 39 35.355 10.219 26.425 1.00 0.00 C ATOM 857 O SER A 39 35.015 11.390 26.592 1.00 0.00 O ATOM 858 CB SER A 39 34.979 8.469 24.647 1.00 0.00 C ATOM 859 OG SER A 39 34.037 7.557 24.091 1.00 0.00 O ATOM 0 H SER A 39 33.143 10.149 24.435 1.00 0.00 H new ATOM 0 HA SER A 39 34.126 8.478 26.604 1.00 0.00 H new ATOM 0 HB2 SER A 39 35.295 9.184 23.887 1.00 0.00 H new ATOM 0 HB3 SER A 39 35.871 7.930 24.968 1.00 0.00 H new ATOM 0 HG SER A 39 34.301 7.332 23.174 1.00 0.00 H new ATOM 865 N GLY A 40 36.559 9.765 26.742 1.00 0.00 N ATOM 866 CA GLY A 40 37.548 10.631 27.362 1.00 0.00 C ATOM 867 C GLY A 40 38.134 11.673 26.423 1.00 0.00 C ATOM 868 O GLY A 40 37.423 12.547 25.916 1.00 0.00 O ATOM 0 H GLY A 40 36.872 8.808 26.581 1.00 0.00 H new ATOM 0 HA2 GLY A 40 37.090 11.139 28.211 1.00 0.00 H new ATOM 0 HA3 GLY A 40 38.357 10.017 27.757 1.00 0.00 H new ATOM 872 N VAL A 41 39.423 11.585 26.199 1.00 0.00 N ATOM 873 CA VAL A 41 40.120 12.543 25.371 1.00 0.00 C ATOM 874 C VAL A 41 40.338 11.997 23.965 1.00 0.00 C ATOM 875 O VAL A 41 40.619 10.809 23.780 1.00 0.00 O ATOM 876 CB VAL A 41 41.488 12.928 25.996 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.178 14.016 25.185 1.00 0.00 C ATOM 878 CG2 VAL A 41 41.311 13.373 27.441 1.00 0.00 C ATOM 0 H VAL A 41 40.018 10.851 26.583 1.00 0.00 H new ATOM 0 HA VAL A 41 39.495 13.434 25.310 1.00 0.00 H new ATOM 0 HB VAL A 41 42.123 12.042 25.980 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.133 14.264 25.648 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.348 13.660 24.169 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.547 14.904 25.157 1.00 0.00 H new ATOM 0 HG21 VAL A 41 42.281 13.639 27.861 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.651 14.239 27.477 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.874 12.560 28.021 1.00 0.00 H new ATOM 888 N GLY A 42 40.186 12.861 22.984 1.00 0.00 N ATOM 889 CA GLY A 42 40.423 12.490 21.622 1.00 0.00 C ATOM 890 C GLY A 42 41.816 12.878 21.197 1.00 0.00 C ATOM 891 O GLY A 42 42.261 14.000 21.447 1.00 0.00 O ATOM 0 H GLY A 42 39.897 13.830 23.115 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.288 11.415 21.504 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.692 12.976 20.975 1.00 0.00 H new ATOM 895 N VAL A 43 42.501 11.964 20.574 1.00 0.00 N ATOM 896 CA VAL A 43 43.862 12.173 20.148 1.00 0.00 C ATOM 897 C VAL A 43 43.903 12.621 18.695 1.00 0.00 C ATOM 898 O VAL A 43 43.334 11.967 17.823 1.00 0.00 O ATOM 899 CB VAL A 43 44.681 10.871 20.293 1.00 0.00 C ATOM 900 CG1 VAL A 43 46.149 11.118 20.005 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.496 10.266 21.677 1.00 0.00 C ATOM 0 H VAL A 43 42.131 11.042 20.343 1.00 0.00 H new ATOM 0 HA VAL A 43 44.295 12.948 20.781 1.00 0.00 H new ATOM 0 HB VAL A 43 44.309 10.157 19.558 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.703 10.186 20.114 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.262 11.491 18.987 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.538 11.856 20.707 1.00 0.00 H new ATOM 0 HG21 VAL A 43 45.082 9.350 21.755 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.831 10.977 22.433 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.442 10.037 21.836 1.00 0.00 H new ATOM 911 N ILE A 44 44.563 13.740 18.439 1.00 0.00 N ATOM 912 CA ILE A 44 44.715 14.231 17.082 1.00 0.00 C ATOM 913 C ILE A 44 45.892 13.527 16.436 1.00 0.00 C ATOM 914 O ILE A 44 47.043 13.733 16.831 1.00 0.00 O ATOM 915 CB ILE A 44 44.949 15.758 17.040 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.838 16.490 17.798 1.00 0.00 C ATOM 917 CG2 ILE A 44 45.014 16.243 15.593 1.00 0.00 C ATOM 918 CD1 ILE A 44 44.047 17.988 17.879 1.00 0.00 C ATOM 0 H ILE A 44 45.000 14.323 19.153 1.00 0.00 H new ATOM 0 HA ILE A 44 43.792 14.023 16.541 1.00 0.00 H new ATOM 0 HB ILE A 44 45.900 15.978 17.525 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.884 16.290 17.310 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.771 16.085 18.808 1.00 0.00 H new ATOM 0 HG21 ILE A 44 45.179 17.320 15.577 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.834 15.743 15.078 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.075 16.013 15.090 1.00 0.00 H new ATOM 0 HD11 ILE A 44 43.222 18.441 18.429 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.985 18.197 18.393 1.00 0.00 H new ATOM 0 HD13 ILE A 44 44.084 18.405 16.873 1.00 0.00 H new ATOM 930 N VAL A 45 45.606 12.691 15.467 1.00 0.00 N ATOM 931 CA VAL A 45 46.633 11.902 14.827 1.00 0.00 C ATOM 932 C VAL A 45 46.842 12.331 13.381 1.00 0.00 C ATOM 933 O VAL A 45 45.893 12.381 12.591 1.00 0.00 O ATOM 934 CB VAL A 45 46.272 10.398 14.846 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.485 9.547 14.483 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.708 9.989 16.199 1.00 0.00 C ATOM 0 H VAL A 45 44.666 12.539 15.102 1.00 0.00 H new ATOM 0 HA VAL A 45 47.552 12.066 15.390 1.00 0.00 H new ATOM 0 HB VAL A 45 45.500 10.227 14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.209 8.493 14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.830 9.813 13.484 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.284 9.726 15.203 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.463 8.927 16.185 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.449 10.180 16.975 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.808 10.567 16.408 1.00 0.00 H new ATOM 946 N THR A 46 48.074 12.651 13.051 1.00 0.00 N ATOM 947 CA THR A 46 48.446 12.982 11.695 1.00 0.00 C ATOM 948 C THR A 46 49.092 11.757 11.053 1.00 0.00 C ATOM 949 O THR A 46 50.158 11.300 11.485 1.00 0.00 O ATOM 950 CB THR A 46 49.422 14.175 11.657 1.00 0.00 C ATOM 951 OG1 THR A 46 48.838 15.293 12.344 1.00 0.00 O ATOM 952 CG2 THR A 46 49.735 14.574 10.219 1.00 0.00 C ATOM 0 H THR A 46 48.846 12.689 13.717 1.00 0.00 H new ATOM 0 HA THR A 46 47.552 13.271 11.143 1.00 0.00 H new ATOM 0 HB THR A 46 50.350 13.879 12.146 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.168 16.128 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.425 15.418 10.218 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.190 13.731 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.813 14.859 9.712 1.00 0.00 H new ATOM 960 N PHE A 47 48.444 11.217 10.046 1.00 0.00 N ATOM 961 CA PHE A 47 48.897 9.989 9.424 1.00 0.00 C ATOM 962 C PHE A 47 49.858 10.233 8.269 1.00 0.00 C ATOM 963 O PHE A 47 50.146 11.377 7.900 1.00 0.00 O ATOM 964 CB PHE A 47 47.704 9.154 8.968 1.00 0.00 C ATOM 965 CG PHE A 47 46.859 8.651 10.104 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.916 9.471 10.702 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.011 7.359 10.576 1.00 0.00 C ATOM 968 CE1 PHE A 47 45.141 9.010 11.747 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.239 6.891 11.619 1.00 0.00 C ATOM 970 CZ PHE A 47 45.304 7.717 12.206 1.00 0.00 C ATOM 0 H PHE A 47 47.596 11.610 9.637 1.00 0.00 H new ATOM 0 HA PHE A 47 49.454 9.435 10.180 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.084 9.753 8.301 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.065 8.304 8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.786 10.482 10.346 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.744 6.709 10.122 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.409 9.659 12.205 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.367 5.879 11.975 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.700 7.354 13.024 1.00 0.00 H new ATOM 980 N ASP A 48 50.336 9.140 7.698 1.00 0.00 N ATOM 981 CA ASP A 48 51.310 9.155 6.608 1.00 0.00 C ATOM 982 C ASP A 48 50.683 9.586 5.286 1.00 0.00 C ATOM 983 O ASP A 48 51.383 9.800 4.299 1.00 0.00 O ATOM 984 CB ASP A 48 51.929 7.775 6.456 1.00 0.00 C ATOM 985 CG ASP A 48 50.903 6.708 6.110 1.00 0.00 C ATOM 986 OD1 ASP A 48 50.030 6.417 6.959 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.974 6.149 4.999 1.00 0.00 O ATOM 0 H ASP A 48 50.057 8.200 7.980 1.00 0.00 H new ATOM 0 HA ASP A 48 52.079 9.884 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.691 7.807 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.432 7.503 7.384 1.00 0.00 H new ATOM 992 N ASP A 49 49.376 9.713 5.272 1.00 0.00 N ATOM 993 CA ASP A 49 48.659 10.132 4.076 1.00 0.00 C ATOM 994 C ASP A 49 48.393 11.627 4.104 1.00 0.00 C ATOM 995 O ASP A 49 47.640 12.150 3.277 1.00 0.00 O ATOM 996 CB ASP A 49 47.346 9.359 3.927 1.00 0.00 C ATOM 997 CG ASP A 49 46.530 9.308 5.204 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.640 10.232 6.029 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.794 8.314 5.394 1.00 0.00 O ATOM 0 H ASP A 49 48.779 9.532 6.079 1.00 0.00 H new ATOM 0 HA ASP A 49 49.287 9.909 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.748 9.820 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 49 47.566 8.341 3.604 1.00 0.00 H new ATOM 1004 N ARG A 50 49.026 12.303 5.073 1.00 0.00 N ATOM 1005 CA ARG A 50 48.905 13.754 5.259 1.00 0.00 C ATOM 1006 C ARG A 50 47.532 14.146 5.781 1.00 0.00 C ATOM 1007 O ARG A 50 47.187 15.330 5.820 1.00 0.00 O ATOM 1008 CB ARG A 50 49.246 14.520 3.972 1.00 0.00 C ATOM 1009 CG ARG A 50 50.721 14.466 3.611 1.00 0.00 C ATOM 1010 CD ARG A 50 51.016 15.208 2.320 1.00 0.00 C ATOM 1011 NE ARG A 50 50.443 14.542 1.150 1.00 0.00 N ATOM 1012 CZ ARG A 50 51.071 14.408 -0.019 1.00 0.00 C ATOM 1013 NH1 ARG A 50 52.291 14.903 -0.186 1.00 0.00 N ATOM 1014 NH2 ARG A 50 50.478 13.782 -1.024 1.00 0.00 N ATOM 0 H ARG A 50 49.640 11.855 5.753 1.00 0.00 H new ATOM 0 HA ARG A 50 49.635 14.037 6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.663 14.109 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.946 15.561 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.309 14.899 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.032 13.426 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 50 50.620 16.221 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 50 52.095 15.295 2.193 1.00 0.00 H new ATOM 0 HE ARG A 50 49.503 14.155 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.754 15.389 0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 50 52.766 14.797 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.539 13.401 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.960 13.681 -1.917 1.00 0.00 H new ATOM 1028 N SER A 51 46.760 13.156 6.193 1.00 0.00 N ATOM 1029 CA SER A 51 45.459 13.399 6.758 1.00 0.00 C ATOM 1030 C SER A 51 45.545 13.338 8.275 1.00 0.00 C ATOM 1031 O SER A 51 46.192 12.446 8.841 1.00 0.00 O ATOM 1032 CB SER A 51 44.447 12.372 6.238 1.00 0.00 C ATOM 1033 OG SER A 51 43.127 12.674 6.673 1.00 0.00 O ATOM 0 H SER A 51 47.021 12.171 6.143 1.00 0.00 H new ATOM 0 HA SER A 51 45.120 14.391 6.458 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.476 12.350 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.726 11.377 6.584 1.00 0.00 H new ATOM 0 HG SER A 51 42.506 12.002 6.323 1.00 0.00 H new ATOM 1039 N SER A 52 44.920 14.282 8.928 1.00 0.00 N ATOM 1040 CA SER A 52 44.921 14.332 10.365 1.00 0.00 C ATOM 1041 C SER A 52 43.499 14.345 10.888 1.00 0.00 C ATOM 1042 O SER A 52 42.633 15.034 10.345 1.00 0.00 O ATOM 1043 CB SER A 52 45.702 15.556 10.854 1.00 0.00 C ATOM 1044 OG SER A 52 45.297 16.733 10.166 1.00 0.00 O ATOM 0 H SER A 52 44.398 15.035 8.480 1.00 0.00 H new ATOM 0 HA SER A 52 45.416 13.441 10.751 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.546 15.686 11.925 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.769 15.393 10.704 1.00 0.00 H new ATOM 0 HG SER A 52 45.810 17.499 10.499 1.00 0.00 H new ATOM 1050 N THR A 53 43.253 13.572 11.916 1.00 0.00 N ATOM 1051 CA THR A 53 41.940 13.492 12.496 1.00 0.00 C ATOM 1052 C THR A 53 42.046 13.048 13.948 1.00 0.00 C ATOM 1053 O THR A 53 43.123 12.670 14.403 1.00 0.00 O ATOM 1054 CB THR A 53 41.032 12.522 11.696 1.00 0.00 C ATOM 1055 OG1 THR A 53 39.664 12.667 12.109 1.00 0.00 O ATOM 1056 CG2 THR A 53 41.466 11.079 11.886 1.00 0.00 C ATOM 0 H THR A 53 43.953 12.985 12.370 1.00 0.00 H new ATOM 0 HA THR A 53 41.484 14.481 12.456 1.00 0.00 H new ATOM 0 HB THR A 53 41.124 12.776 10.640 1.00 0.00 H new ATOM 0 HG1 THR A 53 39.100 12.051 11.596 1.00 0.00 H new ATOM 0 HG21 THR A 53 40.810 10.423 11.313 1.00 0.00 H new ATOM 0 HG22 THR A 53 42.492 10.959 11.539 1.00 0.00 H new ATOM 0 HG23 THR A 53 41.407 10.817 12.943 1.00 0.00 H new ATOM 1064 N TRP A 54 40.947 13.098 14.664 1.00 0.00 N ATOM 1065 CA TRP A 54 40.947 12.734 16.063 1.00 0.00 C ATOM 1066 C TRP A 54 40.300 11.374 16.281 1.00 0.00 C ATOM 1067 O TRP A 54 39.336 11.012 15.601 1.00 0.00 O ATOM 1068 CB TRP A 54 40.239 13.811 16.905 1.00 0.00 C ATOM 1069 CG TRP A 54 38.823 14.087 16.474 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.412 14.998 15.543 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.636 13.449 16.960 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.047 14.958 15.416 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.546 14.017 16.276 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.390 12.447 17.907 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.232 13.619 16.507 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 36.087 12.056 18.135 1.00 0.00 C ATOM 1077 CH2 TRP A 54 35.024 12.640 17.438 1.00 0.00 C ATOM 0 H TRP A 54 40.039 13.388 14.300 1.00 0.00 H new ATOM 0 HA TRP A 54 41.985 12.666 16.389 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.237 13.499 17.949 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.812 14.736 16.850 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.066 15.654 14.988 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.494 15.536 14.783 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.205 11.989 18.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.408 14.067 15.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.884 11.286 18.864 1.00 0.00 H new ATOM 0 HH2 TRP A 54 34.016 12.310 17.640 1.00 0.00 H new ATOM 1088 N PHE A 55 40.856 10.623 17.208 1.00 0.00 N ATOM 1089 CA PHE A 55 40.319 9.329 17.607 1.00 0.00 C ATOM 1090 C PHE A 55 40.311 9.252 19.113 1.00 0.00 C ATOM 1091 O PHE A 55 41.087 9.933 19.764 1.00 0.00 O ATOM 1092 CB PHE A 55 41.152 8.178 17.037 1.00 0.00 C ATOM 1093 CG PHE A 55 41.052 8.029 15.553 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.884 7.573 14.970 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.122 8.342 14.739 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.784 7.432 13.608 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.026 8.203 13.372 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.855 7.747 12.805 1.00 0.00 C ATOM 0 H PHE A 55 41.701 10.891 17.713 1.00 0.00 H new ATOM 0 HA PHE A 55 39.307 9.234 17.214 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.197 8.332 17.306 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.835 7.247 17.507 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.039 7.324 15.595 1.00 0.00 H new ATOM 0 HD2 PHE A 55 43.042 8.699 15.178 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.865 7.074 13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.869 8.451 12.744 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.779 7.637 11.733 1.00 0.00 H new ATOM 1108 N PHE A 56 39.454 8.437 19.671 1.00 0.00 N ATOM 1109 CA PHE A 56 39.368 8.346 21.121 1.00 0.00 C ATOM 1110 C PHE A 56 40.591 7.645 21.706 1.00 0.00 C ATOM 1111 O PHE A 56 41.207 6.797 21.057 1.00 0.00 O ATOM 1112 CB PHE A 56 38.091 7.629 21.555 1.00 0.00 C ATOM 1113 CG PHE A 56 36.828 8.268 21.043 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.374 9.461 21.584 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.096 7.678 20.027 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.213 10.052 21.120 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.937 8.263 19.557 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.495 9.452 20.104 1.00 0.00 C ATOM 0 H PHE A 56 38.811 7.832 19.160 1.00 0.00 H new ATOM 0 HA PHE A 56 39.339 9.365 21.508 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.130 6.596 21.208 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.055 7.599 22.644 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.934 9.934 22.377 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.436 6.748 19.596 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.869 10.980 21.551 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.377 7.792 18.763 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.589 9.912 19.738 1.00 0.00 H new ATOM 1128 N GLU A 57 40.938 8.013 22.933 1.00 0.00 N ATOM 1129 CA GLU A 57 42.060 7.407 23.656 1.00 0.00 C ATOM 1130 C GLU A 57 41.920 5.879 23.729 1.00 0.00 C ATOM 1131 O GLU A 57 42.907 5.152 23.668 1.00 0.00 O ATOM 1132 CB GLU A 57 42.143 7.995 25.067 1.00 0.00 C ATOM 1133 CG GLU A 57 40.801 8.040 25.788 1.00 0.00 C ATOM 1134 CD GLU A 57 40.922 8.467 27.234 1.00 0.00 C ATOM 1135 OE1 GLU A 57 41.177 7.602 28.096 1.00 0.00 O ATOM 1136 OE2 GLU A 57 40.757 9.667 27.518 1.00 0.00 O ATOM 0 H GLU A 57 40.452 8.740 23.459 1.00 0.00 H new ATOM 0 HA GLU A 57 42.977 7.632 23.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.844 7.404 25.657 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.548 9.005 25.008 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.137 8.729 25.266 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.337 7.055 25.743 1.00 0.00 H new ATOM 1143 N ASP A 58 40.681 5.404 23.843 1.00 0.00 N ATOM 1144 CA ASP A 58 40.405 3.965 23.928 1.00 0.00 C ATOM 1145 C ASP A 58 40.177 3.370 22.551 1.00 0.00 C ATOM 1146 O ASP A 58 39.774 2.214 22.419 1.00 0.00 O ATOM 1147 CB ASP A 58 39.173 3.703 24.794 1.00 0.00 C ATOM 1148 CG ASP A 58 39.357 4.129 26.225 1.00 0.00 C ATOM 1149 OD1 ASP A 58 40.183 3.514 26.929 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.664 5.066 26.663 1.00 0.00 O ATOM 0 H ASP A 58 39.849 5.993 23.879 1.00 0.00 H new ATOM 0 HA ASP A 58 41.277 3.492 24.381 1.00 0.00 H new ATOM 0 HB2 ASP A 58 38.319 4.232 24.370 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.935 2.640 24.765 1.00 0.00 H new ATOM 1155 N GLU A 59 40.430 4.159 21.535 1.00 0.00 N ATOM 1156 CA GLU A 59 40.208 3.750 20.162 1.00 0.00 C ATOM 1157 C GLU A 59 41.543 3.527 19.444 1.00 0.00 C ATOM 1158 O GLU A 59 41.630 2.766 18.470 1.00 0.00 O ATOM 1159 CB GLU A 59 39.357 4.828 19.478 1.00 0.00 C ATOM 1160 CG GLU A 59 39.066 4.630 18.016 1.00 0.00 C ATOM 1161 CD GLU A 59 37.938 5.529 17.558 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.125 6.767 17.559 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.849 5.005 17.225 1.00 0.00 O ATOM 0 H GLU A 59 40.797 5.106 21.633 1.00 0.00 H new ATOM 0 HA GLU A 59 39.676 2.799 20.125 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.407 4.899 20.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.861 5.787 19.598 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.962 4.840 17.432 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.802 3.588 17.832 1.00 0.00 H new ATOM 1170 N VAL A 60 42.588 4.148 19.957 1.00 0.00 N ATOM 1171 CA VAL A 60 43.909 4.014 19.378 1.00 0.00 C ATOM 1172 C VAL A 60 44.868 3.309 20.329 1.00 0.00 C ATOM 1173 O VAL A 60 44.660 3.290 21.546 1.00 0.00 O ATOM 1174 CB VAL A 60 44.510 5.382 18.967 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.751 5.969 17.791 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.508 6.353 20.140 1.00 0.00 C ATOM 0 H VAL A 60 42.546 4.753 20.777 1.00 0.00 H new ATOM 0 HA VAL A 60 43.784 3.408 18.481 1.00 0.00 H new ATOM 0 HB VAL A 60 45.544 5.217 18.664 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.189 6.929 17.518 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.812 5.288 16.942 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.706 6.112 18.067 1.00 0.00 H new ATOM 0 HG21 VAL A 60 44.935 7.305 19.825 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.485 6.509 20.481 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.103 5.941 20.955 1.00 0.00 H new ATOM 1186 N GLU A 61 45.897 2.718 19.760 1.00 0.00 N ATOM 1187 CA GLU A 61 46.932 2.038 20.513 1.00 0.00 C ATOM 1188 C GLU A 61 48.259 2.739 20.257 1.00 0.00 C ATOM 1189 O GLU A 61 48.407 3.429 19.252 1.00 0.00 O ATOM 1190 CB GLU A 61 47.020 0.573 20.077 1.00 0.00 C ATOM 1191 CG GLU A 61 47.411 0.395 18.617 1.00 0.00 C ATOM 1192 CD GLU A 61 47.436 -1.046 18.181 1.00 0.00 C ATOM 1193 OE1 GLU A 61 48.248 -1.817 18.716 1.00 0.00 O ATOM 1194 OE2 GLU A 61 46.653 -1.417 17.287 1.00 0.00 O ATOM 0 H GLU A 61 46.041 2.695 18.750 1.00 0.00 H new ATOM 0 HA GLU A 61 46.697 2.068 21.577 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.748 0.059 20.705 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.056 0.093 20.248 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.710 0.945 17.990 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.395 0.834 18.455 1.00 0.00 H new ATOM 1201 N VAL A 62 49.214 2.566 21.143 1.00 0.00 N ATOM 1202 CA VAL A 62 50.506 3.217 20.986 1.00 0.00 C ATOM 1203 C VAL A 62 51.460 2.336 20.195 1.00 0.00 C ATOM 1204 O VAL A 62 51.638 1.159 20.513 1.00 0.00 O ATOM 1205 CB VAL A 62 51.142 3.565 22.347 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.406 4.391 22.152 1.00 0.00 C ATOM 1207 CG2 VAL A 62 50.149 4.304 23.226 1.00 0.00 C ATOM 0 H VAL A 62 49.127 1.985 21.977 1.00 0.00 H new ATOM 0 HA VAL A 62 50.330 4.145 20.441 1.00 0.00 H new ATOM 0 HB VAL A 62 51.415 2.635 22.846 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.840 4.627 23.124 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.125 3.823 21.562 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.159 5.316 21.631 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.616 4.541 24.182 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.843 5.227 22.733 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.275 3.676 23.395 1.00 0.00 H new ATOM 1217 N VAL A 63 52.070 2.906 19.172 1.00 0.00 N ATOM 1218 CA VAL A 63 52.992 2.172 18.323 1.00 0.00 C ATOM 1219 C VAL A 63 54.272 2.966 18.139 1.00 0.00 C ATOM 1220 O VAL A 63 54.272 4.025 17.522 1.00 0.00 O ATOM 1221 CB VAL A 63 52.377 1.860 16.930 1.00 0.00 C ATOM 1222 CG1 VAL A 63 53.372 1.110 16.053 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.093 1.058 17.076 1.00 0.00 C ATOM 0 H VAL A 63 51.942 3.883 18.907 1.00 0.00 H new ATOM 0 HA VAL A 63 53.206 1.225 18.818 1.00 0.00 H new ATOM 0 HB VAL A 63 52.140 2.808 16.448 1.00 0.00 H new ATOM 0 HG11 VAL A 63 52.919 0.903 15.084 1.00 0.00 H new ATOM 0 HG12 VAL A 63 54.265 1.719 15.913 1.00 0.00 H new ATOM 0 HG13 VAL A 63 53.645 0.171 16.534 1.00 0.00 H new ATOM 0 HG21 VAL A 63 50.679 0.851 16.089 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.307 0.118 17.585 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.371 1.630 17.659 1.00 0.00 H new ATOM 1233 N GLY A 64 55.343 2.469 18.692 1.00 0.00 N ATOM 1234 CA GLY A 64 56.600 3.147 18.578 1.00 0.00 C ATOM 1235 C GLY A 64 57.070 3.660 19.914 1.00 0.00 C ATOM 1236 O GLY A 64 56.733 3.044 20.942 1.00 0.00 O ATOM 1237 OXT GLY A 64 57.767 4.689 19.947 1.00 0.00 O ATOM 0 H GLY A 64 55.369 1.599 19.224 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.345 2.468 18.164 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.505 3.979 17.880 1.00 0.00 H new