USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 834 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 97 MET CE :methyl -125:sc= 0 (180deg=-1.34) USER MOD Set 1.2: A 105 THR OG1 : rot 149:sc= 0.102 USER MOD Single : A 21 HIS : no HD1:sc= -0.0258 K(o=-0.026,f=-0.71) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.09 (180deg=1.03) USER MOD Single : A 25 ASN : amide:sc= -2.12! K(o=-2.1!,f=-0.83) USER MOD Single : A 27 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.92) USER MOD Single : A 30 GLN : amide:sc= 0.215 K(o=0.22,f=-3.7!) USER MOD Single : A 31 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.6) USER MOD Single : A 32 SER OG : rot 178:sc= 0.438 USER MOD Single : A 36 MET CE :methyl 156:sc= -0.249 (180deg=-0.977) USER MOD Single : A 43 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.014) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -4.7! K(o=-4.7!,f=-0.61) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 57 MET CE :methyl 141:sc= -0.176 (180deg=-0.69) USER MOD Single : A 64 ASN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 72 THR OG1 : rot 62:sc= -0.996 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 77 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.6) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00754 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 71:sc= 0.971 USER MOD Single : A 89 THR OG1 : rot -86:sc= 0.766 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : A 99 ASN : amide:sc= -2.27! C(o=-2.3!,f=-6.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.609 K(o=-0.61,f=-0.0018) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -126:sc= -1.94 (180deg=-3.37!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 8.558 12.419 -2.227 1.00 0.00 N ATOM 229 CA ARG A 15 9.816 13.063 -1.877 1.00 0.00 C ATOM 230 C ARG A 15 10.358 12.521 -0.560 1.00 0.00 C ATOM 231 O ARG A 15 11.530 12.159 -0.468 1.00 0.00 O ATOM 232 CB ARG A 15 9.642 14.581 -1.795 1.00 0.00 C ATOM 233 CG ARG A 15 10.940 15.326 -1.517 1.00 0.00 C ATOM 234 CD ARG A 15 10.742 16.833 -1.552 1.00 0.00 C ATOM 235 NE ARG A 15 10.290 17.296 -2.862 1.00 0.00 N ATOM 236 CZ ARG A 15 10.231 18.576 -3.226 1.00 0.00 C ATOM 237 NH1 ARG A 15 10.602 19.534 -2.381 1.00 0.00 N ATOM 238 NH2 ARG A 15 9.798 18.890 -4.441 1.00 0.00 N ATOM 0 HA ARG A 15 10.537 12.838 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.219 14.942 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.923 14.815 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.326 15.032 -0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.689 15.040 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.013 17.120 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.679 17.328 -1.296 1.00 0.00 H new ATOM 0 HE ARG A 15 10.001 16.593 -3.542 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.934 19.290 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.554 20.512 -2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.514 18.154 -5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.749 19.867 -4.728 1.00 0.00 H new ATOM 252 N ALA A 16 9.504 12.467 0.454 1.00 0.00 N ATOM 253 CA ALA A 16 9.920 11.989 1.764 1.00 0.00 C ATOM 254 C ALA A 16 8.725 11.552 2.595 1.00 0.00 C ATOM 255 O ALA A 16 7.688 12.219 2.614 1.00 0.00 O ATOM 256 CB ALA A 16 10.701 13.070 2.500 1.00 0.00 C ATOM 0 H ALA A 16 8.525 12.747 0.395 1.00 0.00 H new ATOM 0 HA ALA A 16 10.565 11.123 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.005 12.697 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.586 13.337 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.072 13.951 2.627 1.00 0.00 H new ATOM 262 N ALA A 17 8.874 10.424 3.270 1.00 0.00 N ATOM 263 CA ALA A 17 7.864 9.945 4.198 1.00 0.00 C ATOM 264 C ALA A 17 8.491 9.718 5.567 1.00 0.00 C ATOM 265 O ALA A 17 9.263 8.779 5.760 1.00 0.00 O ATOM 266 CB ALA A 17 7.224 8.667 3.677 1.00 0.00 C ATOM 0 H ALA A 17 9.692 9.819 3.191 1.00 0.00 H new ATOM 0 HA ALA A 17 7.081 10.697 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.470 8.323 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.754 8.862 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.989 7.899 3.559 1.00 0.00 H new ATOM 272 N ASP A 18 8.159 10.584 6.515 1.00 0.00 N ATOM 273 CA ASP A 18 8.768 10.542 7.842 1.00 0.00 C ATOM 274 C ASP A 18 8.067 9.529 8.740 1.00 0.00 C ATOM 275 O ASP A 18 8.655 9.016 9.694 1.00 0.00 O ATOM 276 CB ASP A 18 8.739 11.928 8.495 1.00 0.00 C ATOM 277 CG ASP A 18 7.338 12.490 8.614 1.00 0.00 C ATOM 278 OD1 ASP A 18 6.642 12.175 9.604 1.00 0.00 O ATOM 279 OD2 ASP A 18 6.923 13.247 7.713 1.00 0.00 O ATOM 0 H ASP A 18 7.470 11.326 6.392 1.00 0.00 H new ATOM 0 HA ASP A 18 9.805 10.231 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.187 11.867 9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.352 12.613 7.910 1.00 0.00 H new ATOM 284 N GLY A 19 6.813 9.240 8.433 1.00 0.00 N ATOM 285 CA GLY A 19 6.068 8.276 9.217 1.00 0.00 C ATOM 286 C GLY A 19 4.830 8.877 9.843 1.00 0.00 C ATOM 287 O GLY A 19 3.847 8.178 10.086 1.00 0.00 O ATOM 0 H GLY A 19 6.297 9.654 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.781 7.439 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.710 7.875 10.001 1.00 0.00 H new ATOM 291 N ARG A 20 4.878 10.171 10.112 1.00 0.00 N ATOM 292 CA ARG A 20 3.729 10.879 10.650 1.00 0.00 C ATOM 293 C ARG A 20 3.126 11.758 9.569 1.00 0.00 C ATOM 294 O ARG A 20 1.924 12.014 9.550 1.00 0.00 O ATOM 295 CB ARG A 20 4.134 11.708 11.869 1.00 0.00 C ATOM 296 CG ARG A 20 4.735 10.862 12.977 1.00 0.00 C ATOM 297 CD ARG A 20 5.085 11.678 14.210 1.00 0.00 C ATOM 298 NE ARG A 20 5.798 10.859 15.185 1.00 0.00 N ATOM 299 CZ ARG A 20 5.965 11.167 16.468 1.00 0.00 C ATOM 300 NH1 ARG A 20 5.466 12.288 16.973 1.00 0.00 N ATOM 301 NH2 ARG A 20 6.629 10.330 17.253 1.00 0.00 N ATOM 0 H ARG A 20 5.702 10.754 9.966 1.00 0.00 H new ATOM 0 HA ARG A 20 2.979 10.157 10.974 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.855 12.467 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.260 12.234 12.252 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.030 10.077 13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.633 10.368 12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.700 12.531 13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.175 12.077 14.659 1.00 0.00 H new ATOM 0 HE ARG A 20 6.200 9.981 14.857 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.945 12.929 16.375 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.604 12.509 17.959 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.005 9.462 16.871 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.764 10.554 18.239 1.00 0.00 H new ATOM 315 N HIS A 21 3.975 12.218 8.664 1.00 0.00 N ATOM 316 CA HIS A 21 3.521 12.957 7.499 1.00 0.00 C ATOM 317 C HIS A 21 4.114 12.346 6.236 1.00 0.00 C ATOM 318 O HIS A 21 5.108 11.617 6.293 1.00 0.00 O ATOM 319 CB HIS A 21 3.911 14.436 7.598 1.00 0.00 C ATOM 320 CG HIS A 21 3.350 15.141 8.797 1.00 0.00 C ATOM 321 ND1 HIS A 21 2.087 14.902 9.297 1.00 0.00 N ATOM 322 CD2 HIS A 21 3.894 16.085 9.600 1.00 0.00 C ATOM 323 CE1 HIS A 21 1.880 15.670 10.349 1.00 0.00 C ATOM 324 NE2 HIS A 21 2.960 16.399 10.558 1.00 0.00 N ATOM 0 H HIS A 21 4.986 12.091 8.715 1.00 0.00 H new ATOM 0 HA HIS A 21 2.434 12.894 7.456 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.998 14.513 7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.574 14.950 6.698 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.881 16.513 9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.977 15.698 10.941 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.081 17.082 11.306 1.00 0.00 H new ATOM 333 N ALA A 22 3.488 12.617 5.106 1.00 0.00 N ATOM 334 CA ALA A 22 3.994 12.159 3.825 1.00 0.00 C ATOM 335 C ALA A 22 4.064 13.319 2.847 1.00 0.00 C ATOM 336 O ALA A 22 3.060 13.981 2.590 1.00 0.00 O ATOM 337 CB ALA A 22 3.118 11.045 3.274 1.00 0.00 C ATOM 0 H ALA A 22 2.623 13.155 5.049 1.00 0.00 H new ATOM 0 HA ALA A 22 4.999 11.762 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.512 10.714 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.112 10.208 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.101 11.414 3.141 1.00 0.00 H new ATOM 343 N LYS A 23 5.251 13.576 2.321 1.00 0.00 N ATOM 344 CA LYS A 23 5.440 14.659 1.373 1.00 0.00 C ATOM 345 C LYS A 23 5.432 14.125 -0.055 1.00 0.00 C ATOM 346 O LYS A 23 6.438 13.602 -0.546 1.00 0.00 O ATOM 347 CB LYS A 23 6.746 15.420 1.645 1.00 0.00 C ATOM 348 CG LYS A 23 6.741 16.242 2.931 1.00 0.00 C ATOM 349 CD LYS A 23 7.067 15.404 4.162 1.00 0.00 C ATOM 350 CE LYS A 23 7.022 16.248 5.430 1.00 0.00 C ATOM 351 NZ LYS A 23 7.551 15.521 6.616 1.00 0.00 N ATOM 0 H LYS A 23 6.097 13.049 2.535 1.00 0.00 H new ATOM 0 HA LYS A 23 4.611 15.356 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.567 14.704 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.947 16.084 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.466 17.051 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.762 16.704 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.357 14.581 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.057 14.961 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.601 17.159 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.994 16.553 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.287 16.032 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.149 14.562 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.587 15.461 6.552 1.00 0.00 H new ATOM 365 N VAL A 24 4.285 14.241 -0.706 1.00 0.00 N ATOM 366 CA VAL A 24 4.134 13.805 -2.083 1.00 0.00 C ATOM 367 C VAL A 24 4.287 15.003 -3.010 1.00 0.00 C ATOM 368 O VAL A 24 3.357 15.793 -3.174 1.00 0.00 O ATOM 369 CB VAL A 24 2.761 13.138 -2.322 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.693 12.522 -3.712 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.477 12.090 -1.256 1.00 0.00 C ATOM 0 H VAL A 24 3.439 14.637 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 24 4.907 13.065 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 24 1.994 13.910 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.717 12.058 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.841 13.299 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.472 11.767 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.505 11.634 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.250 11.322 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.472 12.562 -0.274 1.00 0.00 H new ATOM 381 N ASN A 25 5.467 15.126 -3.610 1.00 0.00 N ATOM 382 CA ASN A 25 5.831 16.289 -4.424 1.00 0.00 C ATOM 383 C ASN A 25 5.883 17.545 -3.554 1.00 0.00 C ATOM 384 O ASN A 25 6.937 17.900 -3.030 1.00 0.00 O ATOM 385 CB ASN A 25 4.866 16.491 -5.608 1.00 0.00 C ATOM 386 CG ASN A 25 4.721 15.256 -6.471 1.00 0.00 C ATOM 387 OD1 ASN A 25 5.514 15.016 -7.379 1.00 0.00 O ATOM 388 ND2 ASN A 25 3.691 14.471 -6.200 1.00 0.00 N ATOM 0 H ASN A 25 6.202 14.422 -3.547 1.00 0.00 H new ATOM 0 HA ASN A 25 6.820 16.102 -4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.886 16.777 -5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.222 17.317 -6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.531 13.630 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.057 14.707 -5.437 1.00 0.00 H new ATOM 395 N GLU A 26 4.738 18.194 -3.381 1.00 0.00 N ATOM 396 CA GLU A 26 4.629 19.357 -2.511 1.00 0.00 C ATOM 397 C GLU A 26 3.395 19.220 -1.627 1.00 0.00 C ATOM 398 O GLU A 26 3.071 20.108 -0.842 1.00 0.00 O ATOM 399 CB GLU A 26 4.544 20.645 -3.337 1.00 0.00 C ATOM 400 CG GLU A 26 5.781 20.918 -4.180 1.00 0.00 C ATOM 401 CD GLU A 26 5.640 22.156 -5.040 1.00 0.00 C ATOM 402 OE1 GLU A 26 6.000 23.254 -4.578 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.170 22.036 -6.190 1.00 0.00 O ATOM 0 H GLU A 26 3.864 17.931 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 26 5.519 19.411 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.675 20.588 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.382 21.487 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.644 21.032 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.978 20.057 -4.819 1.00 0.00 H new ATOM 410 N GLN A 27 2.718 18.087 -1.757 1.00 0.00 N ATOM 411 CA GLN A 27 1.496 17.827 -1.012 1.00 0.00 C ATOM 412 C GLN A 27 1.820 17.083 0.277 1.00 0.00 C ATOM 413 O GLN A 27 2.421 16.007 0.251 1.00 0.00 O ATOM 414 CB GLN A 27 0.529 17.003 -1.868 1.00 0.00 C ATOM 415 CG GLN A 27 -0.792 16.687 -1.185 1.00 0.00 C ATOM 416 CD GLN A 27 -1.666 15.762 -2.013 1.00 0.00 C ATOM 417 OE1 GLN A 27 -1.168 14.937 -2.776 1.00 0.00 O ATOM 418 NE2 GLN A 27 -2.977 15.892 -1.867 1.00 0.00 N ATOM 0 H GLN A 27 2.999 17.328 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 27 1.024 18.777 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.327 17.545 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.014 16.068 -2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.596 16.227 -0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.330 17.615 -0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.352 16.589 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.611 15.295 -2.398 1.00 0.00 H new ATOM 427 N ILE A 28 1.430 17.659 1.399 1.00 0.00 N ATOM 428 CA ILE A 28 1.681 17.048 2.692 1.00 0.00 C ATOM 429 C ILE A 28 0.434 16.334 3.186 1.00 0.00 C ATOM 430 O ILE A 28 -0.554 16.969 3.557 1.00 0.00 O ATOM 431 CB ILE A 28 2.121 18.088 3.744 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.381 18.821 3.276 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.360 17.410 5.087 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.842 19.904 4.228 1.00 0.00 C ATOM 0 H ILE A 28 0.937 18.551 1.441 1.00 0.00 H new ATOM 0 HA ILE A 28 2.492 16.332 2.559 1.00 0.00 H new ATOM 0 HB ILE A 28 1.324 18.822 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.185 18.097 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.191 19.265 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.670 18.154 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.440 16.932 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.142 16.658 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.739 20.380 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.055 20.650 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.065 19.464 5.200 1.00 0.00 H new ATOM 446 N LEU A 29 0.475 15.015 3.175 1.00 0.00 N ATOM 447 CA LEU A 29 -0.654 14.219 3.617 1.00 0.00 C ATOM 448 C LEU A 29 -0.413 13.677 5.019 1.00 0.00 C ATOM 449 O LEU A 29 0.700 13.275 5.362 1.00 0.00 O ATOM 450 CB LEU A 29 -0.919 13.084 2.627 1.00 0.00 C ATOM 451 CG LEU A 29 -1.372 13.547 1.238 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.480 12.372 0.281 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.703 14.278 1.330 1.00 0.00 C ATOM 0 H LEU A 29 1.280 14.471 2.864 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.538 14.855 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.010 12.492 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.681 12.426 3.044 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.621 14.234 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.803 12.728 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.508 11.888 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.207 11.656 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.011 14.600 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.457 13.609 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.596 15.149 1.977 1.00 0.00 H new ATOM 465 N GLN A 30 -1.462 13.692 5.827 1.00 0.00 N ATOM 466 CA GLN A 30 -1.387 13.251 7.214 1.00 0.00 C ATOM 467 C GLN A 30 -2.467 12.212 7.508 1.00 0.00 C ATOM 468 O GLN A 30 -2.984 12.130 8.621 1.00 0.00 O ATOM 469 CB GLN A 30 -1.518 14.455 8.161 1.00 0.00 C ATOM 470 CG GLN A 30 -2.388 15.592 7.628 1.00 0.00 C ATOM 471 CD GLN A 30 -3.829 15.189 7.370 1.00 0.00 C ATOM 472 OE1 GLN A 30 -4.174 14.736 6.276 1.00 0.00 O ATOM 473 NE2 GLN A 30 -4.681 15.364 8.366 1.00 0.00 N ATOM 0 H GLN A 30 -2.388 14.009 5.542 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.416 12.784 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.933 14.112 9.109 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.522 14.845 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.373 16.415 8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.953 15.966 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.355 15.742 9.256 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.664 15.121 8.245 1.00 0.00 H new ATOM 482 N GLN A 31 -2.782 11.411 6.502 1.00 0.00 N ATOM 483 CA GLN A 31 -3.814 10.392 6.625 1.00 0.00 C ATOM 484 C GLN A 31 -3.387 9.126 5.883 1.00 0.00 C ATOM 485 O GLN A 31 -2.197 8.891 5.676 1.00 0.00 O ATOM 486 CB GLN A 31 -5.146 10.924 6.075 1.00 0.00 C ATOM 487 CG GLN A 31 -5.133 11.207 4.578 1.00 0.00 C ATOM 488 CD GLN A 31 -6.429 11.824 4.088 1.00 0.00 C ATOM 489 OE1 GLN A 31 -7.085 12.581 4.805 1.00 0.00 O ATOM 490 NE2 GLN A 31 -6.821 11.487 2.870 1.00 0.00 N ATOM 0 H GLN A 31 -2.335 11.447 5.586 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.952 10.145 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.931 10.199 6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.405 11.841 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.306 11.878 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.951 10.278 4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.250 10.857 2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.694 11.857 2.495 1.00 0.00 H new ATOM 499 N SER A 32 -4.350 8.306 5.501 1.00 0.00 N ATOM 500 CA SER A 32 -4.064 7.119 4.721 1.00 0.00 C ATOM 501 C SER A 32 -4.495 7.329 3.272 1.00 0.00 C ATOM 502 O SER A 32 -5.578 7.856 3.013 1.00 0.00 O ATOM 503 CB SER A 32 -4.784 5.921 5.328 1.00 0.00 C ATOM 504 OG SER A 32 -4.476 5.801 6.708 1.00 0.00 O ATOM 0 H SER A 32 -5.337 8.442 5.719 1.00 0.00 H new ATOM 0 HA SER A 32 -2.991 6.927 4.735 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.860 6.033 5.198 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.493 5.011 4.804 1.00 0.00 H new ATOM 0 HG SER A 32 -4.973 5.048 7.090 1.00 0.00 H new ATOM 510 N PHE A 33 -3.639 6.943 2.336 1.00 0.00 N ATOM 511 CA PHE A 33 -3.927 7.132 0.920 1.00 0.00 C ATOM 512 C PHE A 33 -3.265 6.044 0.080 1.00 0.00 C ATOM 513 O PHE A 33 -2.347 5.362 0.541 1.00 0.00 O ATOM 514 CB PHE A 33 -3.459 8.518 0.454 1.00 0.00 C ATOM 515 CG PHE A 33 -1.977 8.749 0.590 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.431 9.146 1.801 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.133 8.573 -0.496 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.072 9.364 1.926 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.226 8.790 -0.376 1.00 0.00 C ATOM 520 CZ PHE A 33 0.757 9.185 0.836 1.00 0.00 C ATOM 0 H PHE A 33 -2.742 6.498 2.530 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.006 7.063 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.742 8.652 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.988 9.279 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.075 9.287 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.543 8.263 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.341 9.674 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.873 8.651 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.819 9.354 0.931 1.00 0.00 H new ATOM 530 N ILE A 34 -3.730 5.896 -1.154 1.00 0.00 N ATOM 531 CA ILE A 34 -3.216 4.873 -2.054 1.00 0.00 C ATOM 532 C ILE A 34 -2.611 5.513 -3.299 1.00 0.00 C ATOM 533 O ILE A 34 -3.300 6.197 -4.058 1.00 0.00 O ATOM 534 CB ILE A 34 -4.330 3.896 -2.487 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.094 3.379 -1.266 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.738 2.735 -3.276 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.358 2.627 -1.617 1.00 0.00 C ATOM 0 H ILE A 34 -4.467 6.476 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.449 4.319 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.030 4.431 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.440 2.725 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.349 4.222 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.535 2.054 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.236 3.118 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.019 2.201 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.847 2.290 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.031 3.284 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.108 1.764 -2.234 1.00 0.00 H new ATOM 549 N LEU A 35 -1.324 5.294 -3.502 1.00 0.00 N ATOM 550 CA LEU A 35 -0.627 5.827 -4.662 1.00 0.00 C ATOM 551 C LEU A 35 -0.284 4.703 -5.632 1.00 0.00 C ATOM 552 O LEU A 35 0.338 3.710 -5.248 1.00 0.00 O ATOM 553 CB LEU A 35 0.648 6.558 -4.227 1.00 0.00 C ATOM 554 CG LEU A 35 1.502 7.125 -5.367 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.728 8.169 -6.157 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.791 7.719 -4.819 1.00 0.00 C ATOM 0 H LEU A 35 -0.735 4.747 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.282 6.538 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.369 7.376 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.260 5.870 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 35 1.755 6.308 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.355 8.556 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.166 7.714 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.440 8.986 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.386 8.117 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.554 8.521 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.358 6.944 -4.303 1.00 0.00 H new ATOM 568 N MET A 36 -0.716 4.845 -6.879 1.00 0.00 N ATOM 569 CA MET A 36 -0.397 3.865 -7.908 1.00 0.00 C ATOM 570 C MET A 36 -0.004 4.568 -9.201 1.00 0.00 C ATOM 571 O MET A 36 -0.370 5.723 -9.414 1.00 0.00 O ATOM 572 CB MET A 36 -1.587 2.931 -8.164 1.00 0.00 C ATOM 573 CG MET A 36 -1.913 2.011 -6.999 1.00 0.00 C ATOM 574 SD MET A 36 -3.161 0.778 -7.418 1.00 0.00 S ATOM 575 CE MET A 36 -2.315 -0.140 -8.704 1.00 0.00 C ATOM 0 H MET A 36 -1.286 5.627 -7.201 1.00 0.00 H new ATOM 0 HA MET A 36 0.443 3.266 -7.556 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.466 3.534 -8.395 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.377 2.324 -9.045 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.003 1.506 -6.674 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.265 2.607 -6.157 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.732 -1.145 -8.768 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.444 0.369 -9.659 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.253 -0.203 -8.467 1.00 0.00 H new ATOM 585 N PRO A 37 0.747 3.881 -10.083 1.00 0.00 N ATOM 586 CA PRO A 37 1.152 4.421 -11.393 1.00 0.00 C ATOM 587 C PRO A 37 -0.020 4.535 -12.375 1.00 0.00 C ATOM 588 O PRO A 37 0.128 4.285 -13.573 1.00 0.00 O ATOM 589 CB PRO A 37 2.178 3.397 -11.909 1.00 0.00 C ATOM 590 CG PRO A 37 2.513 2.535 -10.738 1.00 0.00 C ATOM 591 CD PRO A 37 1.294 2.535 -9.866 1.00 0.00 C ATOM 0 HA PRO A 37 1.546 5.433 -11.301 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.764 2.805 -12.725 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.067 3.895 -12.296 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.765 1.524 -11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.378 2.925 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.587 1.758 -10.157 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.544 2.363 -8.819 1.00 0.00 H new ATOM 599 N ASP A 38 -1.171 4.937 -11.861 1.00 0.00 N ATOM 600 CA ASP A 38 -2.373 5.104 -12.666 1.00 0.00 C ATOM 601 C ASP A 38 -3.096 6.370 -12.224 1.00 0.00 C ATOM 602 O ASP A 38 -3.522 7.182 -13.049 1.00 0.00 O ATOM 603 CB ASP A 38 -3.287 3.884 -12.520 1.00 0.00 C ATOM 604 CG ASP A 38 -4.432 3.881 -13.516 1.00 0.00 C ATOM 605 OD1 ASP A 38 -4.225 3.428 -14.662 1.00 0.00 O ATOM 606 OD2 ASP A 38 -5.545 4.308 -13.155 1.00 0.00 O ATOM 0 H ASP A 38 -1.300 5.157 -10.873 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.097 5.194 -13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.697 2.977 -12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.692 3.859 -11.508 1.00 0.00 H new ATOM 611 N GLU A 39 -3.211 6.529 -10.906 1.00 0.00 N ATOM 612 CA GLU A 39 -3.747 7.742 -10.304 1.00 0.00 C ATOM 613 C GLU A 39 -3.477 7.746 -8.800 1.00 0.00 C ATOM 614 O GLU A 39 -2.894 6.798 -8.258 1.00 0.00 O ATOM 615 CB GLU A 39 -5.253 7.888 -10.573 1.00 0.00 C ATOM 616 CG GLU A 39 -6.106 6.746 -10.042 1.00 0.00 C ATOM 617 CD GLU A 39 -7.585 6.985 -10.280 1.00 0.00 C ATOM 618 OE1 GLU A 39 -7.983 7.136 -11.453 1.00 0.00 O ATOM 619 OE2 GLU A 39 -8.354 7.047 -9.300 1.00 0.00 O ATOM 0 H GLU A 39 -2.934 5.819 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.243 8.593 -10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.599 8.820 -10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.410 7.971 -11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.807 5.815 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.925 6.624 -8.974 1.00 0.00 H new ATOM 626 N LEU A 40 -3.889 8.817 -8.138 1.00 0.00 N ATOM 627 CA LEU A 40 -3.713 8.949 -6.701 1.00 0.00 C ATOM 628 C LEU A 40 -5.061 8.871 -5.998 1.00 0.00 C ATOM 629 O LEU A 40 -5.940 9.706 -6.222 1.00 0.00 O ATOM 630 CB LEU A 40 -3.020 10.275 -6.366 1.00 0.00 C ATOM 631 CG LEU A 40 -2.895 10.594 -4.872 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.051 9.547 -4.162 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.301 11.980 -4.675 1.00 0.00 C ATOM 0 H LEU A 40 -4.351 9.613 -8.578 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.084 8.130 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.021 10.263 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.569 11.084 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.893 10.577 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.977 9.796 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.517 8.568 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.053 9.526 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.218 12.192 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.312 12.020 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.947 12.723 -5.144 1.00 0.00 H new ATOM 645 N VAL A 41 -5.226 7.864 -5.159 1.00 0.00 N ATOM 646 CA VAL A 41 -6.452 7.703 -4.400 1.00 0.00 C ATOM 647 C VAL A 41 -6.280 8.299 -3.010 1.00 0.00 C ATOM 648 O VAL A 41 -5.685 7.681 -2.124 1.00 0.00 O ATOM 649 CB VAL A 41 -6.871 6.221 -4.280 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.223 6.094 -3.593 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.897 5.555 -5.649 1.00 0.00 C ATOM 0 H VAL A 41 -4.524 7.144 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.241 8.228 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.130 5.709 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.497 5.041 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.165 6.524 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.977 6.626 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.195 4.512 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.611 6.071 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.904 5.604 -6.097 1.00 0.00 H new ATOM 661 N GLU A 42 -6.775 9.513 -2.839 1.00 0.00 N ATOM 662 CA GLU A 42 -6.684 10.212 -1.567 1.00 0.00 C ATOM 663 C GLU A 42 -7.735 9.678 -0.600 1.00 0.00 C ATOM 664 O GLU A 42 -7.582 9.753 0.617 1.00 0.00 O ATOM 665 CB GLU A 42 -6.895 11.713 -1.791 1.00 0.00 C ATOM 666 CG GLU A 42 -6.770 12.553 -0.531 1.00 0.00 C ATOM 667 CD GLU A 42 -7.357 13.937 -0.703 1.00 0.00 C ATOM 668 OE1 GLU A 42 -8.571 14.104 -0.460 1.00 0.00 O ATOM 669 OE2 GLU A 42 -6.617 14.863 -1.095 1.00 0.00 O ATOM 0 H GLU A 42 -7.249 10.040 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.696 10.047 -1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.169 12.066 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.884 11.869 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.274 12.047 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.719 12.638 -0.257 1.00 0.00 H new ATOM 676 N HIS A 43 -8.794 9.117 -1.162 1.00 0.00 N ATOM 677 CA HIS A 43 -9.934 8.685 -0.371 1.00 0.00 C ATOM 678 C HIS A 43 -9.758 7.263 0.139 1.00 0.00 C ATOM 679 O HIS A 43 -10.122 6.300 -0.534 1.00 0.00 O ATOM 680 CB HIS A 43 -11.226 8.790 -1.183 1.00 0.00 C ATOM 681 CG HIS A 43 -11.653 10.200 -1.447 1.00 0.00 C ATOM 682 ND1 HIS A 43 -12.834 10.725 -0.979 1.00 0.00 N ATOM 683 CD2 HIS A 43 -11.045 11.197 -2.130 1.00 0.00 C ATOM 684 CE1 HIS A 43 -12.934 11.983 -1.361 1.00 0.00 C ATOM 685 NE2 HIS A 43 -11.861 12.295 -2.061 1.00 0.00 N ATOM 0 H HIS A 43 -8.887 8.950 -2.164 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.999 9.348 0.491 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.090 8.276 -2.134 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.023 8.271 -0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.093 11.138 -2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -13.757 12.646 -1.138 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.670 13.204 -2.482 1.00 0.00 H new ATOM 694 N TRP A 44 -9.171 7.141 1.316 1.00 0.00 N ATOM 695 CA TRP A 44 -9.105 5.866 2.006 1.00 0.00 C ATOM 696 C TRP A 44 -9.326 6.098 3.498 1.00 0.00 C ATOM 697 O TRP A 44 -8.412 6.493 4.221 1.00 0.00 O ATOM 698 CB TRP A 44 -7.769 5.167 1.746 1.00 0.00 C ATOM 699 CG TRP A 44 -7.809 3.697 2.036 1.00 0.00 C ATOM 700 CD1 TRP A 44 -8.805 2.825 1.698 1.00 0.00 C ATOM 701 CD2 TRP A 44 -6.807 2.920 2.703 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.492 1.559 2.127 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.269 1.592 2.744 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.568 3.221 3.274 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.534 0.565 3.329 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -4.838 2.199 3.853 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.324 0.887 3.878 1.00 0.00 C ATOM 0 H TRP A 44 -8.731 7.914 1.816 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.887 5.209 1.625 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.483 5.318 0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.997 5.632 2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.708 3.093 1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.074 0.730 2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.188 4.232 3.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.906 -0.449 3.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.876 2.417 4.293 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.731 0.112 4.341 1.00 0.00 H new ATOM 718 N PRO A 45 -10.560 5.869 3.971 1.00 0.00 N ATOM 719 CA PRO A 45 -10.978 6.229 5.331 1.00 0.00 C ATOM 720 C PRO A 45 -10.511 5.243 6.401 1.00 0.00 C ATOM 721 O PRO A 45 -11.201 5.031 7.399 1.00 0.00 O ATOM 722 CB PRO A 45 -12.502 6.217 5.224 1.00 0.00 C ATOM 723 CG PRO A 45 -12.797 5.191 4.185 1.00 0.00 C ATOM 724 CD PRO A 45 -11.654 5.236 3.208 1.00 0.00 C ATOM 0 HA PRO A 45 -10.547 7.180 5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.964 5.960 6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.887 7.195 4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.888 4.201 4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.743 5.404 3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.379 4.237 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.909 5.815 2.321 1.00 0.00 H new ATOM 732 N VAL A 46 -9.333 4.665 6.214 1.00 0.00 N ATOM 733 CA VAL A 46 -8.786 3.725 7.183 1.00 0.00 C ATOM 734 C VAL A 46 -7.488 4.268 7.785 1.00 0.00 C ATOM 735 O VAL A 46 -6.396 3.968 7.303 1.00 0.00 O ATOM 736 CB VAL A 46 -8.524 2.336 6.551 1.00 0.00 C ATOM 737 CG1 VAL A 46 -8.088 1.332 7.609 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.761 1.834 5.819 1.00 0.00 C ATOM 0 H VAL A 46 -8.738 4.830 5.402 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.530 3.606 7.971 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.716 2.443 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.910 0.364 7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.171 1.679 8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.871 1.233 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.554 0.857 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.590 1.750 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.025 2.536 5.028 1.00 0.00 H new ATOM 748 N PRO A 47 -7.592 5.108 8.834 1.00 0.00 N ATOM 749 CA PRO A 47 -6.423 5.700 9.492 1.00 0.00 C ATOM 750 C PRO A 47 -5.792 4.749 10.504 1.00 0.00 C ATOM 751 O PRO A 47 -4.648 4.925 10.923 1.00 0.00 O ATOM 752 CB PRO A 47 -7.015 6.921 10.193 1.00 0.00 C ATOM 753 CG PRO A 47 -8.414 6.525 10.524 1.00 0.00 C ATOM 754 CD PRO A 47 -8.855 5.557 9.453 1.00 0.00 C ATOM 0 HA PRO A 47 -5.622 5.937 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.452 7.174 11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.994 7.798 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.462 6.061 11.509 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.067 7.397 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.412 4.721 9.876 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.507 6.038 8.724 1.00 0.00 H new ATOM 762 N SER A 48 -6.554 3.744 10.896 1.00 0.00 N ATOM 763 CA SER A 48 -6.091 2.747 11.840 1.00 0.00 C ATOM 764 C SER A 48 -6.418 1.361 11.307 1.00 0.00 C ATOM 765 O SER A 48 -7.522 1.125 10.815 1.00 0.00 O ATOM 766 CB SER A 48 -6.755 2.964 13.199 1.00 0.00 C ATOM 767 OG SER A 48 -6.589 4.302 13.644 1.00 0.00 O ATOM 0 H SER A 48 -7.509 3.597 10.569 1.00 0.00 H new ATOM 0 HA SER A 48 -5.012 2.838 11.965 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.817 2.730 13.129 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.326 2.279 13.930 1.00 0.00 H new ATOM 0 HG SER A 48 -7.025 4.414 14.515 1.00 0.00 H new ATOM 773 N LEU A 49 -5.469 0.444 11.410 1.00 0.00 N ATOM 774 CA LEU A 49 -5.638 -0.881 10.830 1.00 0.00 C ATOM 775 C LEU A 49 -6.472 -1.784 11.738 1.00 0.00 C ATOM 776 O LEU A 49 -6.699 -2.953 11.429 1.00 0.00 O ATOM 777 CB LEU A 49 -4.278 -1.505 10.503 1.00 0.00 C ATOM 778 CG LEU A 49 -3.277 -1.581 11.655 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.472 -2.857 12.458 1.00 0.00 C ATOM 780 CD2 LEU A 49 -1.862 -1.490 11.118 1.00 0.00 C ATOM 0 H LEU A 49 -4.579 0.590 11.886 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.188 -0.775 9.895 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.445 -2.514 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.825 -0.934 9.692 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.450 -0.739 12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.748 -2.889 13.272 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.481 -2.878 12.869 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.326 -3.721 11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.155 -1.545 11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.680 -2.315 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.733 -0.544 10.592 1.00 0.00 H new ATOM 792 N GLY A 50 -6.949 -1.228 12.846 1.00 0.00 N ATOM 793 CA GLY A 50 -7.882 -1.943 13.697 1.00 0.00 C ATOM 794 C GLY A 50 -9.238 -2.085 13.033 1.00 0.00 C ATOM 795 O GLY A 50 -10.098 -2.840 13.492 1.00 0.00 O ATOM 0 H GLY A 50 -6.705 -0.292 13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.483 -2.931 13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.992 -1.414 14.644 1.00 0.00 H new ATOM 799 N GLN A 51 -9.427 -1.334 11.955 1.00 0.00 N ATOM 800 CA GLN A 51 -10.620 -1.435 11.133 1.00 0.00 C ATOM 801 C GLN A 51 -10.261 -2.000 9.764 1.00 0.00 C ATOM 802 O GLN A 51 -11.076 -1.988 8.840 1.00 0.00 O ATOM 803 CB GLN A 51 -11.272 -0.057 10.971 1.00 0.00 C ATOM 804 CG GLN A 51 -11.822 0.527 12.265 1.00 0.00 C ATOM 805 CD GLN A 51 -13.152 -0.082 12.687 1.00 0.00 C ATOM 806 OE1 GLN A 51 -13.969 0.580 13.327 1.00 0.00 O ATOM 807 NE2 GLN A 51 -13.379 -1.341 12.341 1.00 0.00 N ATOM 0 H GLN A 51 -8.756 -0.639 11.628 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.327 -2.104 11.623 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.538 0.634 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.083 -0.133 10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.093 0.376 13.061 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.946 1.603 12.145 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.678 -1.858 11.810 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.255 -1.793 12.605 1.00 0.00 H new ATOM 816 N LEU A 52 -9.038 -2.505 9.644 1.00 0.00 N ATOM 817 CA LEU A 52 -8.541 -2.992 8.369 1.00 0.00 C ATOM 818 C LEU A 52 -9.164 -4.341 8.034 1.00 0.00 C ATOM 819 O LEU A 52 -8.957 -5.339 8.733 1.00 0.00 O ATOM 820 CB LEU A 52 -7.017 -3.093 8.380 1.00 0.00 C ATOM 821 CG LEU A 52 -6.368 -3.277 7.007 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.735 -2.121 6.089 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.860 -3.386 7.146 1.00 0.00 C ATOM 0 H LEU A 52 -8.376 -2.586 10.415 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.827 -2.277 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.612 -2.191 8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.729 -3.930 9.016 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.742 -4.201 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.266 -2.266 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.818 -2.082 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.385 -1.185 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.412 -3.517 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.470 -2.477 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.613 -4.243 7.773 1.00 0.00 H new ATOM 835 N GLN A 53 -9.933 -4.346 6.963 1.00 0.00 N ATOM 836 CA GLN A 53 -10.667 -5.516 6.531 1.00 0.00 C ATOM 837 C GLN A 53 -10.799 -5.471 5.013 1.00 0.00 C ATOM 838 O GLN A 53 -10.877 -4.381 4.442 1.00 0.00 O ATOM 839 CB GLN A 53 -12.047 -5.518 7.208 1.00 0.00 C ATOM 840 CG GLN A 53 -12.928 -6.701 6.848 1.00 0.00 C ATOM 841 CD GLN A 53 -14.232 -6.713 7.617 1.00 0.00 C ATOM 842 OE1 GLN A 53 -15.228 -6.138 7.182 1.00 0.00 O ATOM 843 NE2 GLN A 53 -14.236 -7.372 8.762 1.00 0.00 N ATOM 0 H GLN A 53 -10.066 -3.531 6.364 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.145 -6.431 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.907 -5.502 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.569 -4.599 6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.141 -6.678 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.386 -7.626 7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.387 -7.835 9.087 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.088 -7.417 9.321 1.00 0.00 H new ATOM 852 N PRO A 54 -10.799 -6.636 4.333 1.00 0.00 N ATOM 853 CA PRO A 54 -10.951 -6.705 2.871 1.00 0.00 C ATOM 854 C PRO A 54 -12.161 -5.920 2.360 1.00 0.00 C ATOM 855 O PRO A 54 -12.193 -5.502 1.210 1.00 0.00 O ATOM 856 CB PRO A 54 -11.123 -8.203 2.603 1.00 0.00 C ATOM 857 CG PRO A 54 -10.414 -8.866 3.731 1.00 0.00 C ATOM 858 CD PRO A 54 -10.618 -7.977 4.925 1.00 0.00 C ATOM 0 HA PRO A 54 -10.100 -6.260 2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.176 -8.483 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.693 -8.486 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.816 -9.863 3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.353 -8.985 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.489 -8.280 5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.761 -8.006 5.598 1.00 0.00 H new ATOM 866 N ALA A 55 -13.139 -5.702 3.234 1.00 0.00 N ATOM 867 CA ALA A 55 -14.328 -4.931 2.888 1.00 0.00 C ATOM 868 C ALA A 55 -13.985 -3.462 2.632 1.00 0.00 C ATOM 869 O ALA A 55 -14.665 -2.777 1.870 1.00 0.00 O ATOM 870 CB ALA A 55 -15.368 -5.049 3.992 1.00 0.00 C ATOM 0 H ALA A 55 -13.131 -6.051 4.192 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.740 -5.341 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.251 -4.470 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.645 -6.095 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.953 -4.667 4.925 1.00 0.00 H new ATOM 876 N HIS A 56 -12.925 -2.978 3.272 1.00 0.00 N ATOM 877 CA HIS A 56 -12.478 -1.600 3.079 1.00 0.00 C ATOM 878 C HIS A 56 -11.272 -1.560 2.153 1.00 0.00 C ATOM 879 O HIS A 56 -10.852 -0.499 1.694 1.00 0.00 O ATOM 880 CB HIS A 56 -12.141 -0.929 4.413 1.00 0.00 C ATOM 881 CG HIS A 56 -13.344 -0.598 5.234 1.00 0.00 C ATOM 882 ND1 HIS A 56 -14.233 0.393 4.887 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.813 -1.132 6.387 1.00 0.00 C ATOM 884 CE1 HIS A 56 -15.192 0.457 5.786 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.966 -0.458 6.706 1.00 0.00 N ATOM 0 H HIS A 56 -12.360 -3.517 3.928 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.298 -1.046 2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.489 -1.587 4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.580 -0.015 4.219 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.364 -1.937 6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.025 1.145 5.772 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.552 -0.637 7.522 1.00 0.00 H new ATOM 894 N MET A 57 -10.697 -2.725 1.911 1.00 0.00 N ATOM 895 CA MET A 57 -9.612 -2.861 0.951 1.00 0.00 C ATOM 896 C MET A 57 -10.161 -3.310 -0.393 1.00 0.00 C ATOM 897 O MET A 57 -9.406 -3.581 -1.325 1.00 0.00 O ATOM 898 CB MET A 57 -8.560 -3.844 1.462 1.00 0.00 C ATOM 899 CG MET A 57 -7.842 -3.361 2.709 1.00 0.00 C ATOM 900 SD MET A 57 -6.592 -4.522 3.290 1.00 0.00 S ATOM 901 CE MET A 57 -5.478 -4.556 1.886 1.00 0.00 C ATOM 0 H MET A 57 -10.965 -3.596 2.369 1.00 0.00 H new ATOM 0 HA MET A 57 -9.132 -1.891 0.825 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.039 -4.800 1.674 1.00 0.00 H new ATOM 0 HB3 MET A 57 -7.827 -4.022 0.675 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.371 -2.400 2.502 1.00 0.00 H new ATOM 0 HG3 MET A 57 -8.572 -3.194 3.501 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.448 -4.594 2.240 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.686 -5.436 1.278 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.622 -3.658 1.285 1.00 0.00 H new ATOM 911 N ASP A 58 -11.486 -3.383 -0.476 1.00 0.00 N ATOM 912 CA ASP A 58 -12.175 -3.833 -1.685 1.00 0.00 C ATOM 913 C ASP A 58 -11.828 -2.935 -2.863 1.00 0.00 C ATOM 914 O ASP A 58 -11.626 -3.410 -3.976 1.00 0.00 O ATOM 915 CB ASP A 58 -13.690 -3.845 -1.455 1.00 0.00 C ATOM 916 CG ASP A 58 -14.472 -4.287 -2.677 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.666 -5.511 -2.857 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.921 -3.413 -3.450 1.00 0.00 O ATOM 0 H ASP A 58 -12.112 -3.133 0.289 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.846 -4.846 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.920 -4.510 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.016 -2.846 -1.164 1.00 0.00 H new ATOM 923 N ALA A 59 -11.742 -1.634 -2.601 1.00 0.00 N ATOM 924 CA ALA A 59 -11.333 -0.671 -3.619 1.00 0.00 C ATOM 925 C ALA A 59 -9.943 -1.009 -4.153 1.00 0.00 C ATOM 926 O ALA A 59 -9.681 -0.904 -5.352 1.00 0.00 O ATOM 927 CB ALA A 59 -11.357 0.741 -3.048 1.00 0.00 C ATOM 0 H ALA A 59 -11.950 -1.222 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.038 -0.724 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.050 1.450 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.367 0.982 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.672 0.803 -2.203 1.00 0.00 H new ATOM 933 N VAL A 60 -9.065 -1.438 -3.254 1.00 0.00 N ATOM 934 CA VAL A 60 -7.708 -1.818 -3.627 1.00 0.00 C ATOM 935 C VAL A 60 -7.736 -3.093 -4.461 1.00 0.00 C ATOM 936 O VAL A 60 -7.046 -3.209 -5.474 1.00 0.00 O ATOM 937 CB VAL A 60 -6.819 -2.048 -2.384 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.365 -2.244 -2.788 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.954 -0.894 -1.403 1.00 0.00 C ATOM 0 H VAL A 60 -9.269 -1.532 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.285 -0.998 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.159 -2.957 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.758 -2.404 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.283 -3.111 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.011 -1.357 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.319 -1.077 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.647 0.033 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.992 -0.809 -1.082 1.00 0.00 H new ATOM 949 N LEU A 61 -8.562 -4.042 -4.033 1.00 0.00 N ATOM 950 CA LEU A 61 -8.719 -5.304 -4.743 1.00 0.00 C ATOM 951 C LEU A 61 -9.357 -5.077 -6.111 1.00 0.00 C ATOM 952 O LEU A 61 -9.081 -5.803 -7.065 1.00 0.00 O ATOM 953 CB LEU A 61 -9.574 -6.273 -3.921 1.00 0.00 C ATOM 954 CG LEU A 61 -9.013 -6.631 -2.541 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.983 -7.527 -1.788 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.656 -7.307 -2.673 1.00 0.00 C ATOM 0 H LEU A 61 -9.135 -3.959 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.730 -5.739 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.564 -5.837 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.703 -7.192 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.883 -5.709 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.568 -7.771 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.933 -7.008 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.144 -8.445 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.274 -7.553 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.760 -8.220 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.960 -6.632 -3.172 1.00 0.00 H new ATOM 968 N ALA A 62 -10.213 -4.063 -6.196 1.00 0.00 N ATOM 969 CA ALA A 62 -10.881 -3.714 -7.443 1.00 0.00 C ATOM 970 C ALA A 62 -9.889 -3.169 -8.466 1.00 0.00 C ATOM 971 O ALA A 62 -10.041 -3.394 -9.665 1.00 0.00 O ATOM 972 CB ALA A 62 -11.986 -2.702 -7.186 1.00 0.00 C ATOM 0 H ALA A 62 -10.461 -3.465 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.323 -4.622 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.476 -2.451 -8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.717 -3.128 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.559 -1.800 -6.748 1.00 0.00 H new ATOM 978 N LEU A 63 -8.882 -2.449 -7.986 1.00 0.00 N ATOM 979 CA LEU A 63 -7.831 -1.932 -8.856 1.00 0.00 C ATOM 980 C LEU A 63 -6.973 -3.077 -9.385 1.00 0.00 C ATOM 981 O LEU A 63 -6.377 -2.978 -10.457 1.00 0.00 O ATOM 982 CB LEU A 63 -6.959 -0.925 -8.101 1.00 0.00 C ATOM 983 CG LEU A 63 -7.694 0.320 -7.595 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.752 1.208 -6.798 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.299 1.090 -8.760 1.00 0.00 C ATOM 0 H LEU A 63 -8.770 -2.210 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.299 -1.424 -9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.503 -1.430 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.147 -0.608 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.502 0.001 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.291 2.088 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.366 0.653 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.923 1.521 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.818 1.972 -8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.507 1.399 -9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.006 0.452 -9.290 1.00 0.00 H new ATOM 997 N ASN A 64 -6.931 -4.158 -8.610 1.00 0.00 N ATOM 998 CA ASN A 64 -6.221 -5.386 -8.974 1.00 0.00 C ATOM 999 C ASN A 64 -4.730 -5.133 -9.200 1.00 0.00 C ATOM 1000 O ASN A 64 -4.271 -4.959 -10.332 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.850 -6.042 -10.212 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.241 -7.398 -10.529 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.691 -8.429 -10.023 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.224 -7.411 -11.374 1.00 0.00 N ATOM 0 H ASN A 64 -7.393 -4.209 -7.702 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.317 -6.073 -8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.922 -6.158 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.725 -5.382 -11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.783 -8.295 -11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.880 -6.537 -11.772 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.957 -5.070 -8.109 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.515 -4.945 -8.172 1.00 0.00 C ATOM 1013 C PRO A 65 -1.820 -6.304 -8.100 1.00 0.00 C ATOM 1014 O PRO A 65 -2.469 -7.347 -7.981 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.212 -4.118 -6.926 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.271 -4.501 -5.937 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.429 -5.085 -6.717 1.00 0.00 C ATOM 0 HA PRO A 65 -2.164 -4.500 -9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.216 -4.335 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.243 -3.050 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.884 -5.228 -5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.594 -3.632 -5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.665 -6.096 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.334 -4.490 -6.595 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.501 -6.290 -8.181 1.00 0.00 N ATOM 1026 CA ALA A 66 0.281 -7.504 -8.033 1.00 0.00 C ATOM 1027 C ALA A 66 0.870 -7.569 -6.632 1.00 0.00 C ATOM 1028 O ALA A 66 0.834 -8.608 -5.968 1.00 0.00 O ATOM 1029 CB ALA A 66 1.383 -7.557 -9.077 1.00 0.00 C ATOM 0 H ALA A 66 0.052 -5.449 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.370 -8.365 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.959 -8.474 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.941 -7.540 -10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.040 -6.696 -8.956 1.00 0.00 H new ATOM 1035 N VAL A 67 1.397 -6.441 -6.186 1.00 0.00 N ATOM 1036 CA VAL A 67 1.982 -6.339 -4.860 1.00 0.00 C ATOM 1037 C VAL A 67 1.466 -5.085 -4.158 1.00 0.00 C ATOM 1038 O VAL A 67 1.297 -4.036 -4.784 1.00 0.00 O ATOM 1039 CB VAL A 67 3.530 -6.330 -4.935 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.024 -5.242 -5.876 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.152 -6.166 -3.554 1.00 0.00 C ATOM 0 H VAL A 67 1.431 -5.577 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 67 1.684 -7.213 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 67 3.844 -7.295 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.113 -5.258 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.627 -5.418 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.686 -4.270 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.238 -6.164 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.822 -5.224 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.842 -6.992 -2.915 1.00 0.00 H new ATOM 1051 N ILE A 68 1.179 -5.204 -2.871 1.00 0.00 N ATOM 1052 CA ILE A 68 0.666 -4.087 -2.097 1.00 0.00 C ATOM 1053 C ILE A 68 1.621 -3.751 -0.962 1.00 0.00 C ATOM 1054 O ILE A 68 1.888 -4.585 -0.095 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.732 -4.383 -1.504 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.719 -4.762 -2.612 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -1.246 -3.175 -0.729 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -3.093 -5.136 -2.098 1.00 0.00 C ATOM 0 H ILE A 68 1.294 -6.067 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 68 0.577 -3.242 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.643 -5.226 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.814 -3.925 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.312 -5.599 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.230 -3.398 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.557 -2.944 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.318 -2.317 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.738 -5.392 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.010 -5.993 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.521 -4.293 -1.556 1.00 0.00 H new ATOM 1070 N LEU A 69 2.134 -2.534 -0.977 1.00 0.00 N ATOM 1071 CA LEU A 69 3.030 -2.071 0.066 1.00 0.00 C ATOM 1072 C LEU A 69 2.265 -1.217 1.063 1.00 0.00 C ATOM 1073 O LEU A 69 1.832 -0.110 0.742 1.00 0.00 O ATOM 1074 CB LEU A 69 4.186 -1.269 -0.532 1.00 0.00 C ATOM 1075 CG LEU A 69 5.150 -2.072 -1.406 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.166 -1.149 -2.054 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.854 -3.140 -0.583 1.00 0.00 C ATOM 0 H LEU A 69 1.944 -1.845 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 69 3.443 -2.939 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.773 -0.455 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.751 -0.814 0.282 1.00 0.00 H new ATOM 0 HG LEU A 69 4.576 -2.565 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.846 -1.734 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.649 -0.417 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.734 -0.632 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.536 -3.701 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.417 -2.667 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.114 -3.818 -0.158 1.00 0.00 H new ATOM 1089 N LEU A 70 2.080 -1.748 2.258 1.00 0.00 N ATOM 1090 CA LEU A 70 1.369 -1.039 3.303 1.00 0.00 C ATOM 1091 C LEU A 70 2.355 -0.349 4.232 1.00 0.00 C ATOM 1092 O LEU A 70 3.149 -1.003 4.910 1.00 0.00 O ATOM 1093 CB LEU A 70 0.480 -2.001 4.099 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.358 -1.351 5.205 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.355 -0.367 4.613 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -1.077 -2.412 6.024 1.00 0.00 C ATOM 0 H LEU A 70 2.415 -2.673 2.528 1.00 0.00 H new ATOM 0 HA LEU A 70 0.733 -0.285 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.192 -2.507 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.112 -2.768 4.547 1.00 0.00 H new ATOM 0 HG LEU A 70 0.313 -0.803 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.941 0.084 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.819 0.413 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.021 -0.892 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.667 -1.931 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.736 -2.989 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.344 -3.077 6.481 1.00 0.00 H new ATOM 1108 N GLY A 71 2.311 0.971 4.239 1.00 0.00 N ATOM 1109 CA GLY A 71 3.157 1.735 5.125 1.00 0.00 C ATOM 1110 C GLY A 71 2.448 2.043 6.423 1.00 0.00 C ATOM 1111 O GLY A 71 1.385 2.657 6.420 1.00 0.00 O ATOM 0 H GLY A 71 1.700 1.530 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.071 1.178 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.452 2.665 4.639 1.00 0.00 H new ATOM 1115 N THR A 72 3.029 1.608 7.528 1.00 0.00 N ATOM 1116 CA THR A 72 2.433 1.807 8.842 1.00 0.00 C ATOM 1117 C THR A 72 3.052 3.009 9.553 1.00 0.00 C ATOM 1118 O THR A 72 3.185 3.024 10.779 1.00 0.00 O ATOM 1119 CB THR A 72 2.603 0.543 9.705 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.940 0.033 9.577 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.607 -0.530 9.292 1.00 0.00 C ATOM 0 H THR A 72 3.920 1.111 7.543 1.00 0.00 H new ATOM 0 HA THR A 72 1.370 2.003 8.700 1.00 0.00 H new ATOM 0 HB THR A 72 2.416 0.813 10.744 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.578 0.705 9.897 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.745 -1.414 9.915 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.592 -0.152 9.418 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.769 -0.794 8.247 1.00 0.00 H new ATOM 1129 N GLY A 73 3.377 4.038 8.777 1.00 0.00 N ATOM 1130 CA GLY A 73 4.072 5.192 9.304 1.00 0.00 C ATOM 1131 C GLY A 73 5.333 4.822 10.054 1.00 0.00 C ATOM 1132 O GLY A 73 6.291 4.310 9.469 1.00 0.00 O ATOM 0 H GLY A 73 3.167 4.090 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.326 5.864 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.405 5.740 9.970 1.00 0.00 H new ATOM 1136 N GLU A 74 5.323 5.093 11.348 1.00 0.00 N ATOM 1137 CA GLU A 74 6.426 4.750 12.234 1.00 0.00 C ATOM 1138 C GLU A 74 5.964 3.723 13.259 1.00 0.00 C ATOM 1139 O GLU A 74 6.735 3.273 14.108 1.00 0.00 O ATOM 1140 CB GLU A 74 6.915 6.000 12.960 1.00 0.00 C ATOM 1141 CG GLU A 74 5.794 6.747 13.666 1.00 0.00 C ATOM 1142 CD GLU A 74 6.298 7.790 14.634 1.00 0.00 C ATOM 1143 OE1 GLU A 74 7.048 8.690 14.208 1.00 0.00 O ATOM 1144 OE2 GLU A 74 5.942 7.714 15.829 1.00 0.00 O ATOM 0 H GLU A 74 4.547 5.559 11.817 1.00 0.00 H new ATOM 0 HA GLU A 74 7.239 4.332 11.641 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.673 5.717 13.690 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.395 6.667 12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.159 7.227 12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.170 6.032 14.203 1.00 0.00 H new ATOM 1151 N ARG A 75 4.697 3.355 13.163 1.00 0.00 N ATOM 1152 CA ARG A 75 4.065 2.509 14.156 1.00 0.00 C ATOM 1153 C ARG A 75 3.723 1.164 13.529 1.00 0.00 C ATOM 1154 O ARG A 75 2.577 0.902 13.164 1.00 0.00 O ATOM 1155 CB ARG A 75 2.817 3.214 14.693 1.00 0.00 C ATOM 1156 CG ARG A 75 2.518 2.932 16.155 1.00 0.00 C ATOM 1157 CD ARG A 75 1.873 4.143 16.814 1.00 0.00 C ATOM 1158 NE ARG A 75 2.762 5.310 16.773 1.00 0.00 N ATOM 1159 CZ ARG A 75 2.439 6.528 17.211 1.00 0.00 C ATOM 1160 NH1 ARG A 75 1.236 6.764 17.723 1.00 0.00 N ATOM 1161 NH2 ARG A 75 3.325 7.519 17.137 1.00 0.00 N ATOM 0 H ARG A 75 4.082 3.634 12.398 1.00 0.00 H new ATOM 0 HA ARG A 75 4.741 2.329 14.991 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.936 4.289 14.560 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.958 2.912 14.094 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.855 2.071 16.236 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.440 2.675 16.677 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.937 4.379 16.309 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.626 3.908 17.849 1.00 0.00 H new ATOM 0 HE ARG A 75 3.695 5.180 16.381 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.551 6.011 17.784 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.998 7.698 18.056 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.251 7.347 16.745 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.078 8.450 17.472 1.00 0.00 H new ATOM 1175 N GLN A 76 4.744 0.330 13.391 1.00 0.00 N ATOM 1176 CA GLN A 76 4.633 -0.917 12.650 1.00 0.00 C ATOM 1177 C GLN A 76 3.687 -1.900 13.332 1.00 0.00 C ATOM 1178 O GLN A 76 3.890 -2.284 14.486 1.00 0.00 O ATOM 1179 CB GLN A 76 6.013 -1.548 12.475 1.00 0.00 C ATOM 1180 CG GLN A 76 6.001 -2.832 11.664 1.00 0.00 C ATOM 1181 CD GLN A 76 7.391 -3.396 11.451 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.369 -2.652 11.376 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.491 -4.712 11.360 1.00 0.00 N ATOM 0 H GLN A 76 5.668 0.498 13.788 1.00 0.00 H new ATOM 0 HA GLN A 76 4.215 -0.684 11.671 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.672 -0.829 11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.435 -1.754 13.458 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.385 -3.574 12.173 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.537 -2.642 10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.655 -5.293 11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.404 -5.146 11.222 1.00 0.00 H new ATOM 1192 N GLN A 77 2.657 -2.293 12.603 1.00 0.00 N ATOM 1193 CA GLN A 77 1.697 -3.269 13.077 1.00 0.00 C ATOM 1194 C GLN A 77 1.150 -4.051 11.888 1.00 0.00 C ATOM 1195 O GLN A 77 0.888 -3.480 10.831 1.00 0.00 O ATOM 1196 CB GLN A 77 0.574 -2.569 13.848 1.00 0.00 C ATOM 1197 CG GLN A 77 -0.504 -3.505 14.364 1.00 0.00 C ATOM 1198 CD GLN A 77 -1.416 -2.836 15.374 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -1.613 -1.621 15.345 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -1.985 -3.630 16.266 1.00 0.00 N ATOM 0 H GLN A 77 2.464 -1.943 11.665 1.00 0.00 H new ATOM 0 HA GLN A 77 2.182 -3.967 13.759 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.008 -2.032 14.692 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.113 -1.824 13.199 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.099 -3.867 13.525 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.036 -4.376 14.822 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.793 -4.632 16.253 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.616 -3.241 16.967 1.00 0.00 H new ATOM 1209 N PHE A 78 1.010 -5.355 12.055 1.00 0.00 N ATOM 1210 CA PHE A 78 0.609 -6.227 10.961 1.00 0.00 C ATOM 1211 C PHE A 78 -0.907 -6.294 10.830 1.00 0.00 C ATOM 1212 O PHE A 78 -1.628 -6.296 11.831 1.00 0.00 O ATOM 1213 CB PHE A 78 1.189 -7.630 11.159 1.00 0.00 C ATOM 1214 CG PHE A 78 2.684 -7.679 11.033 1.00 0.00 C ATOM 1215 CD1 PHE A 78 3.279 -7.835 9.793 1.00 0.00 C ATOM 1216 CD2 PHE A 78 3.493 -7.565 12.151 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.653 -7.878 9.668 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.870 -7.607 12.033 1.00 0.00 C ATOM 1219 CZ PHE A 78 5.449 -7.763 10.790 1.00 0.00 C ATOM 0 H PHE A 78 1.168 -5.836 12.941 1.00 0.00 H new ATOM 0 HA PHE A 78 1.005 -5.807 10.037 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.902 -7.998 12.144 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.747 -8.305 10.426 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.660 -7.924 8.912 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.044 -7.442 13.125 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.104 -8.001 8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.491 -7.518 12.912 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.524 -7.795 10.695 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.404 -6.339 9.583 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.840 -6.422 9.289 1.00 0.00 C ATOM 1231 C PRO A 79 -3.467 -7.704 9.818 1.00 0.00 C ATOM 1232 O PRO A 79 -2.768 -8.676 10.113 1.00 0.00 O ATOM 1233 CB PRO A 79 -2.904 -6.406 7.757 1.00 0.00 C ATOM 1234 CG PRO A 79 -1.588 -5.869 7.314 1.00 0.00 C ATOM 1235 CD PRO A 79 -0.599 -6.302 8.353 1.00 0.00 C ATOM 0 HA PRO A 79 -3.390 -5.609 9.762 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.074 -7.407 7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.723 -5.780 7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.318 -6.257 6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.617 -4.783 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.172 -7.278 8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.232 -5.601 8.436 1.00 0.00 H new ATOM 1243 N SER A 80 -4.787 -7.697 9.930 1.00 0.00 N ATOM 1244 CA SER A 80 -5.528 -8.860 10.391 1.00 0.00 C ATOM 1245 C SER A 80 -5.264 -10.058 9.476 1.00 0.00 C ATOM 1246 O SER A 80 -5.175 -9.906 8.256 1.00 0.00 O ATOM 1247 CB SER A 80 -7.025 -8.531 10.397 1.00 0.00 C ATOM 1248 OG SER A 80 -7.264 -7.274 11.009 1.00 0.00 O ATOM 0 H SER A 80 -5.370 -6.891 9.706 1.00 0.00 H new ATOM 0 HA SER A 80 -5.202 -9.116 11.399 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.403 -8.520 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.570 -9.309 10.930 1.00 0.00 H new ATOM 0 HG SER A 80 -8.225 -7.083 11.000 1.00 0.00 H new ATOM 1254 N THR A 81 -5.135 -11.244 10.065 1.00 0.00 N ATOM 1255 CA THR A 81 -4.912 -12.461 9.293 1.00 0.00 C ATOM 1256 C THR A 81 -6.081 -12.721 8.338 1.00 0.00 C ATOM 1257 O THR A 81 -5.929 -13.407 7.325 1.00 0.00 O ATOM 1258 CB THR A 81 -4.689 -13.691 10.206 1.00 0.00 C ATOM 1259 OG1 THR A 81 -4.441 -14.856 9.411 1.00 0.00 O ATOM 1260 CG2 THR A 81 -5.886 -13.941 11.114 1.00 0.00 C ATOM 0 H THR A 81 -5.181 -11.387 11.074 1.00 0.00 H new ATOM 0 HA THR A 81 -4.004 -12.308 8.710 1.00 0.00 H new ATOM 0 HB THR A 81 -3.823 -13.482 10.834 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.300 -15.628 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.692 -14.812 11.740 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.051 -13.069 11.747 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.773 -14.121 10.506 1.00 0.00 H new ATOM 1268 N ASP A 82 -7.236 -12.153 8.671 1.00 0.00 N ATOM 1269 CA ASP A 82 -8.414 -12.203 7.810 1.00 0.00 C ATOM 1270 C ASP A 82 -8.119 -11.583 6.444 1.00 0.00 C ATOM 1271 O ASP A 82 -8.562 -12.084 5.410 1.00 0.00 O ATOM 1272 CB ASP A 82 -9.572 -11.466 8.485 1.00 0.00 C ATOM 1273 CG ASP A 82 -10.765 -11.281 7.574 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -11.383 -12.291 7.183 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.090 -10.123 7.243 1.00 0.00 O ATOM 0 H ASP A 82 -7.382 -11.646 9.544 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.689 -13.246 7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.881 -12.020 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.226 -10.490 8.824 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.346 -10.504 6.451 1.00 0.00 N ATOM 1281 CA VAL A 83 -6.978 -9.811 5.223 1.00 0.00 C ATOM 1282 C VAL A 83 -6.041 -10.676 4.384 1.00 0.00 C ATOM 1283 O VAL A 83 -6.137 -10.713 3.156 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.283 -8.464 5.525 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.940 -7.732 4.237 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -7.152 -7.595 6.421 1.00 0.00 C ATOM 0 H VAL A 83 -6.960 -10.088 7.299 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.897 -9.618 4.670 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.354 -8.676 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.452 -6.787 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.269 -8.346 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.853 -7.537 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.642 -6.653 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.102 -7.396 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.336 -8.113 7.362 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.151 -11.386 5.068 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.154 -12.223 4.412 1.00 0.00 C ATOM 1298 C LEU A 84 -4.815 -13.351 3.626 1.00 0.00 C ATOM 1299 O LEU A 84 -4.313 -13.764 2.585 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.185 -12.803 5.448 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.409 -11.768 6.266 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -1.525 -12.455 7.295 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.573 -10.885 5.353 1.00 0.00 C ATOM 0 H LEU A 84 -5.100 -11.398 6.087 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.598 -11.600 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.748 -13.436 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.471 -13.446 4.934 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.126 -11.139 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.981 -11.703 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.144 -13.047 7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.815 -13.108 6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.028 -10.155 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.865 -11.501 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.226 -10.365 4.652 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.952 -13.828 4.121 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.686 -14.902 3.460 1.00 0.00 C ATOM 1317 C ALA A 85 -7.140 -14.478 2.067 1.00 0.00 C ATOM 1318 O ALA A 85 -7.015 -15.235 1.100 1.00 0.00 O ATOM 1319 CB ALA A 85 -7.880 -15.319 4.306 1.00 0.00 C ATOM 0 H ALA A 85 -6.386 -13.488 4.979 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.018 -15.756 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.420 -16.121 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.533 -15.670 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.544 -14.466 4.444 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.652 -13.257 1.966 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.121 -12.724 0.694 1.00 0.00 C ATOM 1327 C ALA A 86 -6.952 -12.469 -0.252 1.00 0.00 C ATOM 1328 O ALA A 86 -7.062 -12.653 -1.464 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.911 -11.443 0.917 1.00 0.00 C ATOM 0 H ALA A 86 -7.753 -12.616 2.753 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.776 -13.464 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.255 -11.056 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.771 -11.652 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.274 -10.702 1.400 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.828 -12.060 0.315 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.639 -11.775 -0.474 1.00 0.00 C ATOM 1337 C CYS A 87 -4.003 -13.065 -0.987 1.00 0.00 C ATOM 1338 O CYS A 87 -3.659 -13.169 -2.162 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.633 -10.983 0.360 1.00 0.00 C ATOM 1340 SG CYS A 87 -4.294 -9.443 1.037 1.00 0.00 S ATOM 0 H CYS A 87 -5.714 -11.918 1.319 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.934 -11.176 -1.336 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.284 -11.609 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.765 -10.754 -0.258 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.152 -9.714 1.975 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.877 -14.050 -0.102 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.232 -15.318 -0.434 1.00 0.00 C ATOM 1348 C LEU A 88 -3.970 -16.026 -1.567 1.00 0.00 C ATOM 1349 O LEU A 88 -3.347 -16.524 -2.506 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.167 -16.210 0.820 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.332 -17.494 0.700 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -1.851 -17.936 2.073 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -3.136 -18.616 0.055 1.00 0.00 C ATOM 0 H LEU A 88 -4.216 -13.994 0.858 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.217 -15.117 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.766 -15.617 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.184 -16.488 1.095 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.473 -17.276 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.260 -18.847 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.237 -17.151 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.711 -18.128 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.519 -19.511 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.016 -18.829 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.450 -18.311 -0.943 1.00 0.00 H new ATOM 1365 N THR A 89 -5.294 -16.050 -1.486 1.00 0.00 N ATOM 1366 CA THR A 89 -6.111 -16.739 -2.477 1.00 0.00 C ATOM 1367 C THR A 89 -5.952 -16.120 -3.868 1.00 0.00 C ATOM 1368 O THR A 89 -5.877 -16.835 -4.871 1.00 0.00 O ATOM 1369 CB THR A 89 -7.596 -16.736 -2.067 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.978 -15.431 -1.613 1.00 0.00 O ATOM 1371 CG2 THR A 89 -7.859 -17.759 -0.971 1.00 0.00 C ATOM 0 H THR A 89 -5.826 -15.599 -0.742 1.00 0.00 H new ATOM 0 HA THR A 89 -5.760 -17.770 -2.521 1.00 0.00 H new ATOM 0 HB THR A 89 -8.191 -17.004 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.763 -15.340 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.914 -17.738 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.597 -18.754 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.254 -17.519 -0.097 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.874 -14.793 -3.925 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.685 -14.099 -5.197 1.00 0.00 C ATOM 1381 C ARG A 90 -4.224 -14.135 -5.636 1.00 0.00 C ATOM 1382 O ARG A 90 -3.915 -13.941 -6.812 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.147 -12.644 -5.108 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.654 -12.468 -5.072 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.034 -11.017 -5.318 1.00 0.00 C ATOM 1386 NE ARG A 90 -9.477 -10.830 -5.435 1.00 0.00 N ATOM 1387 CZ ARG A 90 -10.076 -10.325 -6.513 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -9.367 -10.040 -7.598 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.386 -10.123 -6.517 1.00 0.00 N ATOM 0 H ARG A 90 -5.938 -14.180 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.292 -14.622 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.719 -12.193 -4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.749 -12.096 -5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.117 -13.103 -5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.039 -12.791 -4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.656 -10.402 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.550 -10.668 -6.230 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.062 -11.102 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.361 -10.207 -7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.828 -9.654 -8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.940 -10.354 -5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.840 -9.736 -7.345 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.332 -14.387 -4.689 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.913 -14.373 -4.984 1.00 0.00 C ATOM 1405 C GLY A 91 -1.338 -12.977 -4.872 1.00 0.00 C ATOM 1406 O GLY A 91 -0.370 -12.635 -5.549 1.00 0.00 O ATOM 0 H GLY A 91 -3.566 -14.601 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.391 -15.039 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.745 -14.757 -5.990 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.946 -12.171 -4.015 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.531 -10.792 -3.830 1.00 0.00 C ATOM 1412 C ILE A 92 -0.430 -10.707 -2.782 1.00 0.00 C ATOM 1413 O ILE A 92 -0.578 -11.217 -1.669 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.715 -9.896 -3.393 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.880 -10.013 -4.383 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -2.270 -8.445 -3.265 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -3.531 -9.598 -5.796 1.00 0.00 C ATOM 0 H ILE A 92 -2.735 -12.453 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.158 -10.434 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.059 -10.240 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.231 -11.045 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.708 -9.398 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.116 -7.831 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.478 -8.372 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.897 -8.093 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.407 -9.709 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.209 -8.557 -5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.725 -10.229 -6.172 1.00 0.00 H new ATOM 1429 N GLY A 93 0.674 -10.071 -3.144 1.00 0.00 N ATOM 1430 CA GLY A 93 1.767 -9.905 -2.214 1.00 0.00 C ATOM 1431 C GLY A 93 1.563 -8.708 -1.310 1.00 0.00 C ATOM 1432 O GLY A 93 1.922 -7.587 -1.666 1.00 0.00 O ATOM 0 H GLY A 93 0.831 -9.667 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.867 -10.805 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.699 -9.788 -2.767 1.00 0.00 H new ATOM 1436 N LEU A 94 0.964 -8.937 -0.153 1.00 0.00 N ATOM 1437 CA LEU A 94 0.747 -7.872 0.814 1.00 0.00 C ATOM 1438 C LEU A 94 1.952 -7.762 1.740 1.00 0.00 C ATOM 1439 O LEU A 94 2.297 -8.716 2.441 1.00 0.00 O ATOM 1440 CB LEU A 94 -0.526 -8.135 1.625 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.865 -7.076 2.678 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -1.129 -5.730 2.022 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -2.068 -7.513 3.502 1.00 0.00 C ATOM 0 H LEU A 94 0.619 -9.851 0.140 1.00 0.00 H new ATOM 0 HA LEU A 94 0.623 -6.930 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.365 -8.218 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.426 -9.099 2.123 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.009 -6.968 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.368 -4.992 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.241 -5.411 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.967 -5.820 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.296 -6.750 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.928 -7.649 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.842 -8.453 4.005 1.00 0.00 H new ATOM 1455 N GLU A 95 2.593 -6.605 1.722 1.00 0.00 N ATOM 1456 CA GLU A 95 3.786 -6.369 2.516 1.00 0.00 C ATOM 1457 C GLU A 95 3.552 -5.230 3.503 1.00 0.00 C ATOM 1458 O GLU A 95 3.150 -4.133 3.112 1.00 0.00 O ATOM 1459 CB GLU A 95 4.957 -6.033 1.590 1.00 0.00 C ATOM 1460 CG GLU A 95 6.275 -5.810 2.312 1.00 0.00 C ATOM 1461 CD GLU A 95 6.785 -7.059 3.000 1.00 0.00 C ATOM 1462 OE1 GLU A 95 6.367 -7.326 4.142 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.610 -7.779 2.401 1.00 0.00 O ATOM 0 H GLU A 95 2.302 -5.806 1.159 1.00 0.00 H new ATOM 0 HA GLU A 95 4.021 -7.270 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.081 -6.843 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.711 -5.137 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.022 -5.464 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.150 -5.019 3.051 1.00 0.00 H new ATOM 1470 N ALA A 96 3.794 -5.495 4.779 1.00 0.00 N ATOM 1471 CA ALA A 96 3.631 -4.484 5.813 1.00 0.00 C ATOM 1472 C ALA A 96 4.986 -3.944 6.261 1.00 0.00 C ATOM 1473 O ALA A 96 5.780 -4.660 6.873 1.00 0.00 O ATOM 1474 CB ALA A 96 2.868 -5.056 6.998 1.00 0.00 C ATOM 0 H ALA A 96 4.105 -6.404 5.123 1.00 0.00 H new ATOM 0 HA ALA A 96 3.056 -3.657 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.754 -4.288 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.884 -5.390 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.419 -5.901 7.412 1.00 0.00 H new ATOM 1480 N MET A 97 5.245 -2.684 5.948 1.00 0.00 N ATOM 1481 CA MET A 97 6.504 -2.040 6.307 1.00 0.00 C ATOM 1482 C MET A 97 6.242 -0.671 6.915 1.00 0.00 C ATOM 1483 O MET A 97 5.091 -0.267 7.090 1.00 0.00 O ATOM 1484 CB MET A 97 7.404 -1.866 5.076 1.00 0.00 C ATOM 1485 CG MET A 97 7.981 -3.157 4.520 1.00 0.00 C ATOM 1486 SD MET A 97 9.058 -2.862 3.099 1.00 0.00 S ATOM 1487 CE MET A 97 9.633 -4.522 2.750 1.00 0.00 C ATOM 0 H MET A 97 4.596 -2.081 5.442 1.00 0.00 H new ATOM 0 HA MET A 97 7.006 -2.680 7.032 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.830 -1.373 4.291 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.226 -1.199 5.336 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.544 -3.668 5.301 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.168 -3.821 4.227 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.723 -4.537 2.748 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.262 -5.204 3.515 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.264 -4.837 1.774 1.00 0.00 H new ATOM 1497 N THR A 98 7.309 0.033 7.246 1.00 0.00 N ATOM 1498 CA THR A 98 7.208 1.426 7.633 1.00 0.00 C ATOM 1499 C THR A 98 7.295 2.293 6.385 1.00 0.00 C ATOM 1500 O THR A 98 7.766 1.829 5.345 1.00 0.00 O ATOM 1501 CB THR A 98 8.324 1.816 8.621 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.598 1.417 8.097 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.098 1.164 9.977 1.00 0.00 C ATOM 0 H THR A 98 8.258 -0.340 7.254 1.00 0.00 H new ATOM 0 HA THR A 98 6.252 1.581 8.133 1.00 0.00 H new ATOM 0 HB THR A 98 8.307 2.898 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.305 1.669 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.898 1.454 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.140 1.490 10.383 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.093 0.080 9.863 1.00 0.00 H new ATOM 1511 N ASN A 99 6.854 3.539 6.476 1.00 0.00 N ATOM 1512 CA ASN A 99 6.824 4.419 5.307 1.00 0.00 C ATOM 1513 C ASN A 99 8.216 4.635 4.733 1.00 0.00 C ATOM 1514 O ASN A 99 8.376 4.771 3.521 1.00 0.00 O ATOM 1515 CB ASN A 99 6.180 5.762 5.647 1.00 0.00 C ATOM 1516 CG ASN A 99 4.675 5.658 5.778 1.00 0.00 C ATOM 1517 OD1 ASN A 99 4.145 4.631 6.184 1.00 0.00 O ATOM 1518 ND2 ASN A 99 3.974 6.718 5.421 1.00 0.00 N ATOM 0 H ASN A 99 6.514 3.965 7.338 1.00 0.00 H new ATOM 0 HA ASN A 99 6.218 3.924 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.599 6.138 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.426 6.488 4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.956 6.699 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.451 7.556 5.088 1.00 0.00 H new ATOM 1525 N ALA A 100 9.220 4.646 5.600 1.00 0.00 N ATOM 1526 CA ALA A 100 10.598 4.827 5.169 1.00 0.00 C ATOM 1527 C ALA A 100 11.064 3.644 4.323 1.00 0.00 C ATOM 1528 O ALA A 100 11.681 3.825 3.274 1.00 0.00 O ATOM 1529 CB ALA A 100 11.509 5.012 6.373 1.00 0.00 C ATOM 0 H ALA A 100 9.105 4.531 6.607 1.00 0.00 H new ATOM 0 HA ALA A 100 10.648 5.725 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.536 5.146 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.194 5.891 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.450 4.131 7.013 1.00 0.00 H new ATOM 1535 N ALA A 101 10.745 2.437 4.775 1.00 0.00 N ATOM 1536 CA ALA A 101 11.153 1.226 4.074 1.00 0.00 C ATOM 1537 C ALA A 101 10.311 1.005 2.823 1.00 0.00 C ATOM 1538 O ALA A 101 10.829 0.619 1.772 1.00 0.00 O ATOM 1539 CB ALA A 101 11.055 0.023 5.002 1.00 0.00 C ATOM 0 H ALA A 101 10.205 2.271 5.624 1.00 0.00 H new ATOM 0 HA ALA A 101 12.190 1.347 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.362 -0.875 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.707 0.173 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.026 -0.091 5.342 1.00 0.00 H new ATOM 1545 N ALA A 102 9.013 1.268 2.936 1.00 0.00 N ATOM 1546 CA ALA A 102 8.093 1.091 1.821 1.00 0.00 C ATOM 1547 C ALA A 102 8.458 2.008 0.658 1.00 0.00 C ATOM 1548 O ALA A 102 8.297 1.641 -0.507 1.00 0.00 O ATOM 1549 CB ALA A 102 6.660 1.342 2.269 1.00 0.00 C ATOM 0 H ALA A 102 8.574 1.606 3.793 1.00 0.00 H new ATOM 0 HA ALA A 102 8.175 0.060 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.985 1.206 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.398 0.639 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.569 2.361 2.645 1.00 0.00 H new ATOM 1555 N ALA A 103 8.967 3.194 0.981 1.00 0.00 N ATOM 1556 CA ALA A 103 9.367 4.162 -0.033 1.00 0.00 C ATOM 1557 C ALA A 103 10.521 3.631 -0.877 1.00 0.00 C ATOM 1558 O ALA A 103 10.649 3.971 -2.057 1.00 0.00 O ATOM 1559 CB ALA A 103 9.751 5.481 0.620 1.00 0.00 C ATOM 0 H ALA A 103 9.112 3.507 1.941 1.00 0.00 H new ATOM 0 HA ALA A 103 8.517 4.330 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.048 6.195 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.898 5.876 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.583 5.319 1.305 1.00 0.00 H new ATOM 1565 N ARG A 104 11.354 2.791 -0.276 1.00 0.00 N ATOM 1566 CA ARG A 104 12.497 2.221 -0.978 1.00 0.00 C ATOM 1567 C ARG A 104 12.037 1.097 -1.896 1.00 0.00 C ATOM 1568 O ARG A 104 12.399 1.051 -3.072 1.00 0.00 O ATOM 1569 CB ARG A 104 13.537 1.689 0.013 1.00 0.00 C ATOM 1570 CG ARG A 104 13.980 2.706 1.052 1.00 0.00 C ATOM 1571 CD ARG A 104 14.513 3.977 0.411 1.00 0.00 C ATOM 1572 NE ARG A 104 14.975 4.932 1.416 1.00 0.00 N ATOM 1573 CZ ARG A 104 14.698 6.237 1.397 1.00 0.00 C ATOM 1574 NH1 ARG A 104 13.939 6.751 0.436 1.00 0.00 N ATOM 1575 NH2 ARG A 104 15.178 7.026 2.349 1.00 0.00 N ATOM 0 H ARG A 104 11.260 2.490 0.694 1.00 0.00 H new ATOM 0 HA ARG A 104 12.959 3.008 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.125 0.819 0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 104 14.411 1.348 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 104 13.139 2.952 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.752 2.267 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.334 3.729 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 104 13.732 4.435 -0.195 1.00 0.00 H new ATOM 0 HE ARG A 104 15.547 4.578 2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 104 13.563 6.147 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 104 13.732 7.750 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.757 6.635 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 104 14.968 8.024 2.338 1.00 0.00 H new ATOM 1589 N THR A 105 11.219 0.205 -1.355 1.00 0.00 N ATOM 1590 CA THR A 105 10.693 -0.919 -2.116 1.00 0.00 C ATOM 1591 C THR A 105 9.824 -0.433 -3.280 1.00 0.00 C ATOM 1592 O THR A 105 9.876 -0.987 -4.382 1.00 0.00 O ATOM 1593 CB THR A 105 9.875 -1.858 -1.205 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.651 -2.202 -0.047 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.475 -3.129 -1.941 1.00 0.00 C ATOM 0 H THR A 105 10.904 0.239 -0.386 1.00 0.00 H new ATOM 0 HA THR A 105 11.540 -1.472 -2.522 1.00 0.00 H new ATOM 0 HB THR A 105 8.967 -1.334 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.054 -2.345 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.900 -3.770 -1.273 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.868 -2.871 -2.809 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.371 -3.657 -2.269 1.00 0.00 H new ATOM 1603 N TYR A 106 9.046 0.618 -3.038 1.00 0.00 N ATOM 1604 CA TYR A 106 8.196 1.196 -4.073 1.00 0.00 C ATOM 1605 C TYR A 106 9.047 1.752 -5.210 1.00 0.00 C ATOM 1606 O TYR A 106 8.676 1.657 -6.377 1.00 0.00 O ATOM 1607 CB TYR A 106 7.309 2.299 -3.489 1.00 0.00 C ATOM 1608 CG TYR A 106 6.357 2.916 -4.493 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.225 2.231 -4.915 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.592 4.182 -5.017 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.352 2.791 -5.830 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.723 4.747 -5.932 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.606 4.046 -6.336 1.00 0.00 C ATOM 1614 OH TYR A 106 3.737 4.605 -7.246 1.00 0.00 O ATOM 0 H TYR A 106 8.987 1.087 -2.134 1.00 0.00 H new ATOM 0 HA TYR A 106 7.554 0.409 -4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.732 1.887 -2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.944 3.083 -3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.023 1.245 -4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.467 4.733 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.475 2.246 -6.146 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.918 5.733 -6.328 1.00 0.00 H new ATOM 0 HH TYR A 106 4.060 5.494 -7.503 1.00 0.00 H new ATOM 1624 N ASN A 107 10.194 2.320 -4.857 1.00 0.00 N ATOM 1625 CA ASN A 107 11.129 2.860 -5.841 1.00 0.00 C ATOM 1626 C ASN A 107 11.569 1.768 -6.817 1.00 0.00 C ATOM 1627 O ASN A 107 11.550 1.965 -8.033 1.00 0.00 O ATOM 1628 CB ASN A 107 12.344 3.466 -5.126 1.00 0.00 C ATOM 1629 CG ASN A 107 13.440 3.939 -6.070 1.00 0.00 C ATOM 1630 OD1 ASN A 107 14.622 3.895 -5.725 1.00 0.00 O ATOM 1631 ND2 ASN A 107 13.067 4.408 -7.250 1.00 0.00 N ATOM 0 H ASN A 107 10.502 2.420 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 107 10.629 3.643 -6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.013 4.308 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.760 2.724 -4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 107 13.768 4.748 -7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 107 12.079 4.429 -7.501 1.00 0.00 H new ATOM 1638 N VAL A 108 11.934 0.614 -6.274 1.00 0.00 N ATOM 1639 CA VAL A 108 12.372 -0.514 -7.086 1.00 0.00 C ATOM 1640 C VAL A 108 11.246 -0.998 -7.999 1.00 0.00 C ATOM 1641 O VAL A 108 11.436 -1.169 -9.204 1.00 0.00 O ATOM 1642 CB VAL A 108 12.849 -1.686 -6.201 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.310 -2.860 -7.052 1.00 0.00 C ATOM 1644 CG2 VAL A 108 13.960 -1.230 -5.268 1.00 0.00 C ATOM 0 H VAL A 108 11.935 0.434 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 108 13.206 -0.169 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 108 12.006 -2.020 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.641 -3.672 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.484 -3.206 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.136 -2.545 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.284 -2.068 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.802 -0.865 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.591 -0.430 -4.627 1.00 0.00 H new ATOM 1654 N LEU A 109 10.069 -1.190 -7.419 1.00 0.00 N ATOM 1655 CA LEU A 109 8.921 -1.708 -8.155 1.00 0.00 C ATOM 1656 C LEU A 109 8.442 -0.715 -9.211 1.00 0.00 C ATOM 1657 O LEU A 109 7.937 -1.111 -10.263 1.00 0.00 O ATOM 1658 CB LEU A 109 7.792 -2.047 -7.182 1.00 0.00 C ATOM 1659 CG LEU A 109 8.146 -3.112 -6.140 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.004 -3.300 -5.155 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.486 -4.432 -6.817 1.00 0.00 C ATOM 0 H LEU A 109 9.883 -0.994 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 109 9.228 -2.615 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.491 -1.136 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.929 -2.389 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 109 9.022 -2.771 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.276 -4.061 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.806 -2.358 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.109 -3.616 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.735 -5.176 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.628 -4.776 -7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.339 -4.291 -7.481 1.00 0.00 H new ATOM 1673 N ALA A 110 8.614 0.574 -8.938 1.00 0.00 N ATOM 1674 CA ALA A 110 8.267 1.614 -9.898 1.00 0.00 C ATOM 1675 C ALA A 110 9.151 1.515 -11.137 1.00 0.00 C ATOM 1676 O ALA A 110 8.707 1.776 -12.254 1.00 0.00 O ATOM 1677 CB ALA A 110 8.392 2.993 -9.266 1.00 0.00 C ATOM 0 H ALA A 110 8.993 0.923 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 110 7.230 1.467 -10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.128 3.755 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.719 3.064 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.418 3.149 -8.933 1.00 0.00 H new ATOM 1683 N SER A 111 10.404 1.127 -10.930 1.00 0.00 N ATOM 1684 CA SER A 111 11.335 0.938 -12.028 1.00 0.00 C ATOM 1685 C SER A 111 11.085 -0.398 -12.724 1.00 0.00 C ATOM 1686 O SER A 111 11.375 -0.555 -13.909 1.00 0.00 O ATOM 1687 CB SER A 111 12.774 1.020 -11.519 1.00 0.00 C ATOM 1688 OG SER A 111 13.062 2.314 -11.007 1.00 0.00 O ATOM 0 H SER A 111 10.796 0.938 -10.008 1.00 0.00 H new ATOM 0 HA SER A 111 11.178 1.733 -12.757 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.931 0.274 -10.740 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.464 0.784 -12.329 1.00 0.00 H new ATOM 0 HG SER A 111 13.988 2.340 -10.686 1.00 0.00 H new ATOM 1694 N GLU A 112 10.543 -1.358 -11.980 1.00 0.00 N ATOM 1695 CA GLU A 112 10.181 -2.650 -12.549 1.00 0.00 C ATOM 1696 C GLU A 112 8.984 -2.493 -13.481 1.00 0.00 C ATOM 1697 O GLU A 112 8.910 -3.127 -14.535 1.00 0.00 O ATOM 1698 CB GLU A 112 9.872 -3.653 -11.427 1.00 0.00 C ATOM 1699 CG GLU A 112 9.443 -5.024 -11.930 1.00 0.00 C ATOM 1700 CD GLU A 112 9.384 -6.067 -10.828 1.00 0.00 C ATOM 1701 OE1 GLU A 112 8.347 -6.168 -10.144 1.00 0.00 O ATOM 1702 OE2 GLU A 112 10.381 -6.804 -10.658 1.00 0.00 O ATOM 0 H GLU A 112 10.346 -1.265 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 112 11.021 -3.033 -13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.756 -3.767 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.083 -3.245 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.462 -4.943 -12.399 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.138 -5.356 -12.701 1.00 0.00 H new ATOM 1709 N GLY A 113 8.053 -1.632 -13.092 1.00 0.00 N ATOM 1710 CA GLY A 113 6.900 -1.355 -13.926 1.00 0.00 C ATOM 1711 C GLY A 113 5.739 -2.275 -13.620 1.00 0.00 C ATOM 1712 O GLY A 113 4.720 -2.257 -14.313 1.00 0.00 O ATOM 0 H GLY A 113 8.076 -1.119 -12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.589 -0.320 -13.781 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.178 -1.461 -14.975 1.00 0.00 H new ATOM 1716 N ARG A 114 5.892 -3.080 -12.583 1.00 0.00 N ATOM 1717 CA ARG A 114 4.859 -4.014 -12.173 1.00 0.00 C ATOM 1718 C ARG A 114 3.844 -3.305 -11.278 1.00 0.00 C ATOM 1719 O ARG A 114 4.201 -2.401 -10.522 1.00 0.00 O ATOM 1720 CB ARG A 114 5.507 -5.205 -11.461 1.00 0.00 C ATOM 1721 CG ARG A 114 4.527 -6.246 -10.949 1.00 0.00 C ATOM 1722 CD ARG A 114 5.235 -7.546 -10.606 1.00 0.00 C ATOM 1723 NE ARG A 114 5.615 -8.297 -11.805 1.00 0.00 N ATOM 1724 CZ ARG A 114 6.781 -8.921 -11.960 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.755 -8.745 -11.076 1.00 0.00 N ATOM 1726 NH2 ARG A 114 6.993 -9.673 -13.033 1.00 0.00 N ATOM 0 H ARG A 114 6.732 -3.105 -12.004 1.00 0.00 H new ATOM 0 HA ARG A 114 4.325 -4.389 -13.046 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.203 -5.687 -12.148 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.094 -4.834 -10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.015 -5.864 -10.066 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.764 -6.433 -11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.126 -7.329 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.584 -8.161 -9.985 1.00 0.00 H new ATOM 0 HE ARG A 114 4.943 -8.345 -12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.612 -8.130 -10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.647 -9.225 -11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.263 -9.773 -13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.886 -10.151 -13.152 1.00 0.00 H new ATOM 1740 N ARG A 115 2.579 -3.701 -11.385 1.00 0.00 N ATOM 1741 CA ARG A 115 1.502 -3.029 -10.664 1.00 0.00 C ATOM 1742 C ARG A 115 1.635 -3.179 -9.152 1.00 0.00 C ATOM 1743 O ARG A 115 1.289 -4.213 -8.571 1.00 0.00 O ATOM 1744 CB ARG A 115 0.135 -3.531 -11.134 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.404 -2.765 -12.331 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.726 -3.334 -12.822 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.402 -2.423 -13.745 1.00 0.00 N ATOM 1748 CZ ARG A 115 -2.302 -2.484 -15.075 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -1.523 -3.395 -15.648 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -2.976 -1.625 -15.830 1.00 0.00 N ATOM 0 H ARG A 115 2.274 -4.484 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 115 1.584 -1.966 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.212 -4.587 -11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.576 -3.454 -10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.538 -1.718 -12.061 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.326 -2.795 -13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.549 -4.288 -13.318 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.374 -3.534 -11.969 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.990 -1.691 -13.346 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.998 -4.052 -15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.450 -3.437 -16.665 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.569 -0.919 -15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.900 -1.671 -16.846 1.00 0.00 H new ATOM 1764 N VAL A 116 2.148 -2.131 -8.531 1.00 0.00 N ATOM 1765 CA VAL A 116 2.270 -2.065 -7.089 1.00 0.00 C ATOM 1766 C VAL A 116 1.310 -1.021 -6.527 1.00 0.00 C ATOM 1767 O VAL A 116 1.147 0.059 -7.096 1.00 0.00 O ATOM 1768 CB VAL A 116 3.724 -1.734 -6.663 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.231 -0.485 -7.367 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.826 -1.574 -5.151 1.00 0.00 C ATOM 0 H VAL A 116 2.492 -1.302 -9.015 1.00 0.00 H new ATOM 0 HA VAL A 116 2.013 -3.044 -6.684 1.00 0.00 H new ATOM 0 HB VAL A 116 4.355 -2.571 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.253 -0.277 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.212 -0.642 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.593 0.361 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.856 -1.342 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.173 -0.764 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.522 -2.501 -4.666 1.00 0.00 H new ATOM 1780 N ALA A 117 0.648 -1.366 -5.435 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.242 -0.442 -4.756 1.00 0.00 C ATOM 1782 C ALA A 117 0.416 0.067 -3.483 1.00 0.00 C ATOM 1783 O ALA A 117 0.646 -0.699 -2.547 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.570 -1.115 -4.439 1.00 0.00 C ATOM 0 H ALA A 117 0.712 -2.286 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.439 0.405 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.224 -0.407 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.041 -1.444 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.396 -1.977 -3.794 1.00 0.00 H new ATOM 1790 N LEU A 118 0.745 1.350 -3.462 1.00 0.00 N ATOM 1791 CA LEU A 118 1.388 1.945 -2.302 1.00 0.00 C ATOM 1792 C LEU A 118 0.345 2.546 -1.370 1.00 0.00 C ATOM 1793 O LEU A 118 -0.196 3.621 -1.636 1.00 0.00 O ATOM 1794 CB LEU A 118 2.386 3.023 -2.732 1.00 0.00 C ATOM 1795 CG LEU A 118 3.249 3.595 -1.606 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.158 2.518 -1.031 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.064 4.775 -2.109 1.00 0.00 C ATOM 0 H LEU A 118 0.578 1.997 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 118 1.928 1.161 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.042 2.605 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.836 3.840 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 118 2.592 3.947 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.765 2.943 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.552 1.704 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.810 2.135 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.672 5.170 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.713 4.449 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.392 5.553 -2.471 1.00 0.00 H new ATOM 1809 N ALA A 119 0.055 1.843 -0.289 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.907 2.317 0.691 1.00 0.00 C ATOM 1811 C ALA A 119 -0.182 2.897 1.894 1.00 0.00 C ATOM 1812 O ALA A 119 0.320 2.162 2.744 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.840 1.191 1.114 1.00 0.00 C ATOM 0 H ALA A 119 0.473 0.939 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.511 3.103 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.553 1.566 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.378 0.818 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.257 0.382 1.554 1.00 0.00 H new ATOM 1819 N MET A 120 -0.111 4.215 1.952 1.00 0.00 N ATOM 1820 CA MET A 120 0.616 4.886 3.017 1.00 0.00 C ATOM 1821 C MET A 120 -0.313 5.315 4.136 1.00 0.00 C ATOM 1822 O MET A 120 -1.237 6.102 3.924 1.00 0.00 O ATOM 1823 CB MET A 120 1.357 6.116 2.490 1.00 0.00 C ATOM 1824 CG MET A 120 2.611 5.805 1.692 1.00 0.00 C ATOM 1825 SD MET A 120 3.816 4.843 2.630 1.00 0.00 S ATOM 1826 CE MET A 120 5.247 4.940 1.558 1.00 0.00 C ATOM 0 H MET A 120 -0.547 4.842 1.276 1.00 0.00 H new ATOM 0 HA MET A 120 1.338 4.168 3.407 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.677 6.693 1.863 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.627 6.750 3.334 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.336 5.256 0.791 1.00 0.00 H new ATOM 0 HG3 MET A 120 3.071 6.739 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.607 3.935 1.340 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.972 5.437 0.628 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.035 5.508 2.053 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.069 4.782 5.318 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.722 5.251 6.523 1.00 0.00 C ATOM 1838 C ILE A 121 0.288 6.037 7.344 1.00 0.00 C ATOM 1839 O ILE A 121 1.280 5.477 7.814 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.271 4.085 7.378 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.245 3.225 6.564 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -1.950 4.618 8.634 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.772 2.021 7.321 1.00 0.00 C ATOM 0 H ILE A 121 0.585 4.014 5.469 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.567 5.875 6.233 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.432 3.457 7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.086 3.843 6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.745 2.883 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.330 3.784 9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.229 5.182 9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.777 5.270 8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.455 1.460 6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.939 1.381 7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.302 2.355 8.213 1.00 0.00 H new ATOM 1855 N VAL A 122 0.074 7.338 7.474 1.00 0.00 N ATOM 1856 CA VAL A 122 0.966 8.156 8.284 1.00 0.00 C ATOM 1857 C VAL A 122 0.318 8.527 9.609 1.00 0.00 C ATOM 1858 O VAL A 122 -0.656 9.279 9.654 1.00 0.00 O ATOM 1859 CB VAL A 122 1.450 9.433 7.555 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.762 9.169 6.845 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.422 9.931 6.557 1.00 0.00 C ATOM 0 H VAL A 122 -0.696 7.844 7.037 1.00 0.00 H new ATOM 0 HA VAL A 122 1.846 7.541 8.473 1.00 0.00 H new ATOM 0 HB VAL A 122 1.593 10.206 8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.090 10.076 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.516 8.868 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.626 8.372 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.797 10.828 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.236 9.159 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.507 10.164 7.077 1.00 0.00 H new ATOM 1871 N GLY A 123 0.871 7.984 10.686 1.00 0.00 N ATOM 1872 CA GLY A 123 0.326 8.214 12.009 1.00 0.00 C ATOM 1873 C GLY A 123 0.787 9.524 12.603 1.00 0.00 C ATOM 1874 O GLY A 123 1.547 9.552 13.571 1.00 0.00 O ATOM 0 H GLY A 123 1.695 7.383 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.763 8.205 11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.620 7.396 12.667 1.00 0.00 H new