USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 71 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 1.03 K(o=2.3,f=-4.2) USER MOD Set 2.1: A 63 CYS SG : rot -62:sc= 1.28 USER MOD Set 2.2: A 66 SER OG : rot 120:sc= 1.4 USER MOD Set 3.1: A 61 THR OG1 : rot -35:sc= -0.316 USER MOD Set 3.2: A 90 GLN : amide:sc= -0.681 K(o=-1,f=1.6) USER MOD Single : A 22 MET CE :methyl -141:sc= -0.17 (180deg=-0.682) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -85:sc= 1.04 USER MOD Single : A 34 THR OG1 : rot 98:sc= 0.618 USER MOD Single : A 36 GLN : amide:sc= -0.0523 K(o=-0.052,f=-2) USER MOD Single : A 44 TYR OH : rot -126:sc= -1.82 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0435) USER MOD Single : A 57 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1.4) USER MOD Single : A 59 SER OG : rot 122:sc= 0.224 USER MOD Single : A 60 CYS SG : rot -34:sc= -1.46! USER MOD Single : A 62 SER OG : rot -160:sc= 0.256 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 75 GLN : amide:sc= -0.9 K(o=-0.9,f=-0.035) USER MOD Single : A 76 ASN : amide:sc= 0.765 K(o=0.76,f=0) USER MOD Single : A 77 MET CE :methyl 158:sc= -0.0821 (180deg=-1.25) USER MOD Single : A 79 GLN : amide:sc= -0.0345 X(o=-0.035,f=-0.26) USER MOD Single : A 81 TYR OH : rot 130:sc= 0.711 USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.108 14.663 7.567 1.00 70.34 N ATOM 242 CA ASP A 17 3.264 13.715 8.324 1.00 31.21 C ATOM 243 C ASP A 17 1.828 13.702 7.797 1.00 43.35 C ATOM 244 O ASP A 17 1.118 12.725 8.007 1.00 43.25 O ATOM 245 CB ASP A 17 3.254 14.054 9.838 1.00 32.25 C ATOM 246 CG ASP A 17 4.625 13.906 10.519 1.00 21.34 C ATOM 247 OD1 ASP A 17 5.080 12.758 10.715 1.00 70.32 O ATOM 248 OD2 ASP A 17 5.257 14.923 10.864 1.00 30.43 O ATOM 0 HA ASP A 17 3.699 12.725 8.186 1.00 31.21 H new ATOM 0 HB2 ASP A 17 2.903 15.078 9.969 1.00 32.25 H new ATOM 0 HB3 ASP A 17 2.537 13.405 10.341 1.00 32.25 H new ATOM 253 N GLY A 18 1.411 14.802 7.148 1.00 72.40 N ATOM 254 CA GLY A 18 0.095 14.889 6.529 1.00 23.12 C ATOM 255 C GLY A 18 -0.062 13.904 5.375 1.00 52.22 C ATOM 256 O GLY A 18 -1.049 13.153 5.323 1.00 33.33 O ATOM 0 H GLY A 18 1.977 15.644 7.043 1.00 72.40 H new ATOM 0 HA2 GLY A 18 -0.672 14.694 7.279 1.00 23.12 H new ATOM 0 HA3 GLY A 18 -0.067 15.903 6.164 1.00 23.12 H new ATOM 260 N VAL A 19 0.939 13.899 4.460 1.00 33.23 N ATOM 261 CA VAL A 19 1.013 12.945 3.333 1.00 40.13 C ATOM 262 C VAL A 19 1.087 11.499 3.871 1.00 23.00 C ATOM 263 O VAL A 19 0.308 10.646 3.463 1.00 75.22 O ATOM 264 CB VAL A 19 2.254 13.245 2.400 1.00 61.43 C ATOM 265 CG1 VAL A 19 2.376 12.213 1.249 1.00 51.32 C ATOM 266 CG2 VAL A 19 2.186 14.684 1.833 1.00 51.22 C ATOM 0 H VAL A 19 1.717 14.558 4.486 1.00 33.23 H new ATOM 0 HA VAL A 19 0.111 13.062 2.733 1.00 40.13 H new ATOM 0 HB VAL A 19 3.148 13.157 3.018 1.00 61.43 H new ATOM 0 HG11 VAL A 19 3.241 12.456 0.632 1.00 51.32 H new ATOM 0 HG12 VAL A 19 2.498 11.214 1.667 1.00 51.32 H new ATOM 0 HG13 VAL A 19 1.475 12.242 0.637 1.00 51.32 H new ATOM 0 HG21 VAL A 19 3.051 14.865 1.195 1.00 51.22 H new ATOM 0 HG22 VAL A 19 1.273 14.802 1.249 1.00 51.22 H new ATOM 0 HG23 VAL A 19 2.186 15.399 2.655 1.00 51.22 H new ATOM 276 N VAL A 20 2.005 11.283 4.829 1.00 73.43 N ATOM 277 CA VAL A 20 2.239 9.975 5.485 1.00 23.24 C ATOM 278 C VAL A 20 0.935 9.412 6.111 1.00 34.50 C ATOM 279 O VAL A 20 0.588 8.246 5.890 1.00 61.03 O ATOM 280 CB VAL A 20 3.378 10.117 6.581 1.00 70.25 C ATOM 281 CG1 VAL A 20 3.544 8.848 7.439 1.00 51.23 C ATOM 282 CG2 VAL A 20 4.733 10.497 5.930 1.00 12.44 C ATOM 0 H VAL A 20 2.617 12.021 5.178 1.00 73.43 H new ATOM 0 HA VAL A 20 2.566 9.264 4.726 1.00 23.24 H new ATOM 0 HB VAL A 20 3.061 10.920 7.246 1.00 70.25 H new ATOM 0 HG11 VAL A 20 4.337 9.005 8.171 1.00 51.23 H new ATOM 0 HG12 VAL A 20 2.609 8.634 7.957 1.00 51.23 H new ATOM 0 HG13 VAL A 20 3.804 8.006 6.797 1.00 51.23 H new ATOM 0 HG21 VAL A 20 5.496 10.588 6.704 1.00 12.44 H new ATOM 0 HG22 VAL A 20 5.026 9.723 5.221 1.00 12.44 H new ATOM 0 HG23 VAL A 20 4.631 11.448 5.407 1.00 12.44 H new ATOM 292 N ALA A 21 0.198 10.286 6.824 1.00 51.23 N ATOM 293 CA ALA A 21 -1.010 9.912 7.589 1.00 35.32 C ATOM 294 C ALA A 21 -2.183 9.564 6.666 1.00 73.13 C ATOM 295 O ALA A 21 -2.943 8.624 6.947 1.00 51.33 O ATOM 296 CB ALA A 21 -1.415 11.041 8.554 1.00 63.20 C ATOM 0 H ALA A 21 0.425 11.278 6.886 1.00 51.23 H new ATOM 0 HA ALA A 21 -0.763 9.022 8.167 1.00 35.32 H new ATOM 0 HB1 ALA A 21 -2.306 10.745 9.107 1.00 63.20 H new ATOM 0 HB2 ALA A 21 -0.601 11.232 9.253 1.00 63.20 H new ATOM 0 HB3 ALA A 21 -1.625 11.947 7.986 1.00 63.20 H new ATOM 302 N MET A 22 -2.348 10.339 5.575 1.00 64.34 N ATOM 303 CA MET A 22 -3.454 10.114 4.627 1.00 13.42 C ATOM 304 C MET A 22 -3.193 8.857 3.777 1.00 65.44 C ATOM 305 O MET A 22 -4.144 8.203 3.372 1.00 64.04 O ATOM 306 CB MET A 22 -3.749 11.356 3.739 1.00 53.15 C ATOM 307 CG MET A 22 -2.663 11.738 2.730 1.00 3.44 C ATOM 308 SD MET A 22 -3.147 13.124 1.670 1.00 72.02 S ATOM 309 CE MET A 22 -4.605 12.480 0.838 1.00 53.51 C ATOM 0 H MET A 22 -1.736 11.118 5.331 1.00 64.34 H new ATOM 0 HA MET A 22 -4.354 9.948 5.219 1.00 13.42 H new ATOM 0 HB2 MET A 22 -4.675 11.175 3.194 1.00 53.15 H new ATOM 0 HB3 MET A 22 -3.926 12.210 4.392 1.00 53.15 H new ATOM 0 HG2 MET A 22 -1.750 11.998 3.266 1.00 3.44 H new ATOM 0 HG3 MET A 22 -2.432 10.874 2.107 1.00 3.44 H new ATOM 0 HE1 MET A 22 -4.604 12.805 -0.202 1.00 53.51 H new ATOM 0 HE2 MET A 22 -4.595 11.391 0.878 1.00 53.51 H new ATOM 0 HE3 MET A 22 -5.501 12.853 1.334 1.00 53.51 H new ATOM 319 N ILE A 23 -1.900 8.508 3.542 1.00 71.21 N ATOM 320 CA ILE A 23 -1.525 7.220 2.910 1.00 54.20 C ATOM 321 C ILE A 23 -1.980 6.058 3.820 1.00 23.41 C ATOM 322 O ILE A 23 -2.616 5.118 3.343 1.00 11.31 O ATOM 323 CB ILE A 23 0.031 7.092 2.622 1.00 64.31 C ATOM 324 CG1 ILE A 23 0.512 8.166 1.596 1.00 20.21 C ATOM 325 CG2 ILE A 23 0.396 5.673 2.113 1.00 23.24 C ATOM 326 CD1 ILE A 23 2.018 8.195 1.341 1.00 22.43 C ATOM 0 H ILE A 23 -1.105 9.100 3.781 1.00 71.21 H new ATOM 0 HA ILE A 23 -2.027 7.179 1.943 1.00 54.20 H new ATOM 0 HB ILE A 23 0.545 7.264 3.568 1.00 64.31 H new ATOM 0 HG12 ILE A 23 0.003 7.993 0.648 1.00 20.21 H new ATOM 0 HG13 ILE A 23 0.201 9.149 1.950 1.00 20.21 H new ATOM 0 HG21 ILE A 23 1.468 5.618 1.925 1.00 23.24 H new ATOM 0 HG22 ILE A 23 0.121 4.934 2.866 1.00 23.24 H new ATOM 0 HG23 ILE A 23 -0.145 5.467 1.189 1.00 23.24 H new ATOM 0 HD11 ILE A 23 2.249 8.974 0.615 1.00 22.43 H new ATOM 0 HD12 ILE A 23 2.541 8.402 2.274 1.00 22.43 H new ATOM 0 HD13 ILE A 23 2.340 7.229 0.952 1.00 22.43 H new ATOM 338 N LYS A 24 -1.669 6.177 5.137 1.00 52.41 N ATOM 339 CA LYS A 24 -2.048 5.179 6.169 1.00 61.23 C ATOM 340 C LYS A 24 -3.549 4.847 6.122 1.00 25.43 C ATOM 341 O LYS A 24 -3.921 3.675 6.159 1.00 64.11 O ATOM 342 CB LYS A 24 -1.691 5.690 7.591 1.00 31.32 C ATOM 343 CG LYS A 24 -0.192 5.843 7.869 1.00 35.44 C ATOM 344 CD LYS A 24 0.082 6.472 9.258 1.00 42.32 C ATOM 345 CE LYS A 24 1.579 6.552 9.569 1.00 11.12 C ATOM 346 NZ LYS A 24 1.859 7.246 10.852 1.00 52.34 N ATOM 0 H LYS A 24 -1.148 6.969 5.513 1.00 52.41 H new ATOM 0 HA LYS A 24 -1.482 4.274 5.950 1.00 61.23 H new ATOM 0 HB2 LYS A 24 -2.174 6.655 7.745 1.00 31.32 H new ATOM 0 HB3 LYS A 24 -2.112 5.002 8.324 1.00 31.32 H new ATOM 0 HG2 LYS A 24 0.288 4.866 7.813 1.00 35.44 H new ATOM 0 HG3 LYS A 24 0.258 6.464 7.095 1.00 35.44 H new ATOM 0 HD2 LYS A 24 -0.349 7.472 9.294 1.00 42.32 H new ATOM 0 HD3 LYS A 24 -0.417 5.882 10.027 1.00 42.32 H new ATOM 0 HE2 LYS A 24 1.993 5.544 9.607 1.00 11.12 H new ATOM 0 HE3 LYS A 24 2.087 7.075 8.759 1.00 11.12 H new ATOM 0 HZ1 LYS A 24 2.886 7.273 11.015 1.00 52.34 H new ATOM 0 HZ2 LYS A 24 1.489 8.217 10.809 1.00 52.34 H new ATOM 0 HZ3 LYS A 24 1.398 6.734 11.631 1.00 52.34 H new ATOM 360 N GLU A 25 -4.400 5.898 6.032 1.00 13.23 N ATOM 361 CA GLU A 25 -5.860 5.723 6.052 1.00 40.25 C ATOM 362 C GLU A 25 -6.372 5.227 4.683 1.00 2.14 C ATOM 363 O GLU A 25 -7.289 4.429 4.649 1.00 52.33 O ATOM 364 CB GLU A 25 -6.611 7.009 6.505 1.00 2.40 C ATOM 365 CG GLU A 25 -6.816 8.084 5.424 1.00 44.05 C ATOM 366 CD GLU A 25 -7.673 9.271 5.899 1.00 51.21 C ATOM 367 OE1 GLU A 25 -7.256 9.979 6.842 1.00 2.21 O ATOM 368 OE2 GLU A 25 -8.775 9.488 5.358 1.00 5.44 O ATOM 0 H GLU A 25 -4.096 6.868 5.946 1.00 13.23 H new ATOM 0 HA GLU A 25 -6.079 4.959 6.798 1.00 40.25 H new ATOM 0 HB2 GLU A 25 -7.588 6.719 6.891 1.00 2.40 H new ATOM 0 HB3 GLU A 25 -6.061 7.455 7.333 1.00 2.40 H new ATOM 0 HG2 GLU A 25 -5.843 8.454 5.101 1.00 44.05 H new ATOM 0 HG3 GLU A 25 -7.289 7.629 4.554 1.00 44.05 H new ATOM 375 N LEU A 26 -5.760 5.689 3.556 1.00 55.33 N ATOM 376 CA LEU A 26 -6.123 5.218 2.191 1.00 44.33 C ATOM 377 C LEU A 26 -5.864 3.702 2.057 1.00 31.11 C ATOM 378 O LEU A 26 -6.547 3.013 1.308 1.00 13.50 O ATOM 379 CB LEU A 26 -5.359 6.003 1.076 1.00 22.11 C ATOM 380 CG LEU A 26 -5.775 7.495 0.851 1.00 44.10 C ATOM 381 CD1 LEU A 26 -4.911 8.157 -0.245 1.00 61.44 C ATOM 382 CD2 LEU A 26 -7.277 7.629 0.528 1.00 12.44 C ATOM 0 H LEU A 26 -5.015 6.386 3.568 1.00 55.33 H new ATOM 0 HA LEU A 26 -7.187 5.411 2.053 1.00 44.33 H new ATOM 0 HB2 LEU A 26 -4.295 5.979 1.312 1.00 22.11 H new ATOM 0 HB3 LEU A 26 -5.489 5.469 0.135 1.00 22.11 H new ATOM 0 HG LEU A 26 -5.595 8.024 1.787 1.00 44.10 H new ATOM 0 HD11 LEU A 26 -5.224 9.193 -0.379 1.00 61.44 H new ATOM 0 HD12 LEU A 26 -3.863 8.130 0.052 1.00 61.44 H new ATOM 0 HD13 LEU A 26 -5.036 7.616 -1.183 1.00 61.44 H new ATOM 0 HD21 LEU A 26 -7.525 8.680 0.379 1.00 12.44 H new ATOM 0 HD22 LEU A 26 -7.505 7.070 -0.380 1.00 12.44 H new ATOM 0 HD23 LEU A 26 -7.864 7.232 1.356 1.00 12.44 H new ATOM 394 N LEU A 27 -4.860 3.199 2.794 1.00 4.41 N ATOM 395 CA LEU A 27 -4.621 1.758 2.937 1.00 51.42 C ATOM 396 C LEU A 27 -5.703 1.145 3.848 1.00 21.11 C ATOM 397 O LEU A 27 -6.401 0.217 3.462 1.00 60.53 O ATOM 398 CB LEU A 27 -3.210 1.501 3.535 1.00 41.23 C ATOM 399 CG LEU A 27 -2.007 2.046 2.708 1.00 41.02 C ATOM 400 CD1 LEU A 27 -0.697 1.927 3.496 1.00 74.40 C ATOM 401 CD2 LEU A 27 -1.902 1.352 1.335 1.00 23.23 C ATOM 0 H LEU A 27 -4.195 3.780 3.305 1.00 4.41 H new ATOM 0 HA LEU A 27 -4.669 1.289 1.954 1.00 51.42 H new ATOM 0 HB2 LEU A 27 -3.172 1.945 4.530 1.00 41.23 H new ATOM 0 HB3 LEU A 27 -3.081 0.426 3.661 1.00 41.23 H new ATOM 0 HG LEU A 27 -2.188 3.105 2.522 1.00 41.02 H new ATOM 0 HD11 LEU A 27 0.126 2.315 2.895 1.00 74.40 H new ATOM 0 HD12 LEU A 27 -0.774 2.502 4.419 1.00 74.40 H new ATOM 0 HD13 LEU A 27 -0.510 0.880 3.735 1.00 74.40 H new ATOM 0 HD21 LEU A 27 -1.052 1.758 0.786 1.00 23.23 H new ATOM 0 HD22 LEU A 27 -1.763 0.280 1.479 1.00 23.23 H new ATOM 0 HD23 LEU A 27 -2.816 1.527 0.768 1.00 23.23 H new ATOM 413 N ASP A 28 -5.862 1.742 5.036 1.00 12.33 N ATOM 414 CA ASP A 28 -6.686 1.197 6.142 1.00 54.12 C ATOM 415 C ASP A 28 -8.181 1.092 5.783 1.00 70.02 C ATOM 416 O ASP A 28 -8.895 0.237 6.311 1.00 61.23 O ATOM 417 CB ASP A 28 -6.484 2.071 7.408 1.00 62.51 C ATOM 418 CG ASP A 28 -7.123 1.480 8.676 1.00 32.43 C ATOM 419 OD1 ASP A 28 -6.501 0.590 9.300 1.00 43.42 O ATOM 420 OD2 ASP A 28 -8.229 1.915 9.070 1.00 51.41 O ATOM 0 H ASP A 28 -5.418 2.631 5.267 1.00 12.33 H new ATOM 0 HA ASP A 28 -6.350 0.178 6.334 1.00 54.12 H new ATOM 0 HB2 ASP A 28 -5.416 2.206 7.579 1.00 62.51 H new ATOM 0 HB3 ASP A 28 -6.905 3.060 7.227 1.00 62.51 H new ATOM 425 N THR A 29 -8.634 1.965 4.876 1.00 45.21 N ATOM 426 CA THR A 29 -10.037 2.050 4.453 1.00 72.13 C ATOM 427 C THR A 29 -10.285 1.237 3.162 1.00 11.42 C ATOM 428 O THR A 29 -11.346 0.622 3.005 1.00 11.23 O ATOM 429 CB THR A 29 -10.436 3.549 4.228 1.00 73.40 C ATOM 430 OG1 THR A 29 -9.571 4.141 3.240 1.00 43.31 O ATOM 431 CG2 THR A 29 -10.365 4.364 5.539 1.00 2.51 C ATOM 0 H THR A 29 -8.029 2.641 4.409 1.00 45.21 H new ATOM 0 HA THR A 29 -10.656 1.624 5.243 1.00 72.13 H new ATOM 0 HB THR A 29 -11.468 3.570 3.878 1.00 73.40 H new ATOM 0 HG1 THR A 29 -8.752 4.462 3.672 1.00 43.31 H new ATOM 0 HG21 THR A 29 -10.649 5.398 5.341 1.00 2.51 H new ATOM 0 HG22 THR A 29 -11.048 3.934 6.272 1.00 2.51 H new ATOM 0 HG23 THR A 29 -9.348 4.336 5.930 1.00 2.51 H new ATOM 439 N ARG A 30 -9.297 1.232 2.242 1.00 13.25 N ATOM 440 CA ARG A 30 -9.459 0.654 0.885 1.00 51.24 C ATOM 441 C ARG A 30 -8.698 -0.677 0.735 1.00 14.04 C ATOM 442 O ARG A 30 -9.299 -1.707 0.430 1.00 5.45 O ATOM 443 CB ARG A 30 -8.955 1.662 -0.180 1.00 72.31 C ATOM 444 CG ARG A 30 -9.612 3.055 -0.100 1.00 11.31 C ATOM 445 CD ARG A 30 -8.978 4.067 -1.066 1.00 2.44 C ATOM 446 NE ARG A 30 -9.619 5.395 -0.994 1.00 71.13 N ATOM 447 CZ ARG A 30 -10.004 6.112 -2.056 1.00 33.00 C ATOM 448 NH1 ARG A 30 -9.832 5.649 -3.289 1.00 61.44 N ATOM 449 NH2 ARG A 30 -10.547 7.309 -1.878 1.00 20.30 N ATOM 0 H ARG A 30 -8.371 1.624 2.414 1.00 13.25 H new ATOM 0 HA ARG A 30 -10.520 0.453 0.736 1.00 51.24 H new ATOM 0 HB2 ARG A 30 -7.876 1.776 -0.073 1.00 72.31 H new ATOM 0 HB3 ARG A 30 -9.135 1.245 -1.171 1.00 72.31 H new ATOM 0 HG2 ARG A 30 -10.675 2.964 -0.322 1.00 11.31 H new ATOM 0 HG3 ARG A 30 -9.531 3.432 0.919 1.00 11.31 H new ATOM 0 HD2 ARG A 30 -7.917 4.166 -0.838 1.00 2.44 H new ATOM 0 HD3 ARG A 30 -9.051 3.687 -2.085 1.00 2.44 H new ATOM 0 HE ARG A 30 -9.780 5.794 -0.069 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -9.402 4.736 -3.435 1.00 61.44 H new ATOM 0 HH12 ARG A 30 -10.130 6.207 -4.089 1.00 61.44 H new ATOM 0 HH21 ARG A 30 -10.669 7.678 -0.935 1.00 20.30 H new ATOM 0 HH22 ARG A 30 -10.842 7.860 -2.684 1.00 20.30 H new ATOM 463 N ILE A 31 -7.374 -0.647 0.974 1.00 44.23 N ATOM 464 CA ILE A 31 -6.477 -1.764 0.618 1.00 43.24 C ATOM 465 C ILE A 31 -6.519 -2.869 1.679 1.00 74.20 C ATOM 466 O ILE A 31 -6.935 -3.987 1.369 1.00 11.45 O ATOM 467 CB ILE A 31 -4.998 -1.280 0.407 1.00 42.54 C ATOM 468 CG1 ILE A 31 -4.935 -0.150 -0.666 1.00 71.03 C ATOM 469 CG2 ILE A 31 -4.049 -2.450 0.035 1.00 12.32 C ATOM 470 CD1 ILE A 31 -5.504 -0.512 -2.035 1.00 13.15 C ATOM 0 H ILE A 31 -6.899 0.142 1.414 1.00 44.23 H new ATOM 0 HA ILE A 31 -6.839 -2.170 -0.326 1.00 43.24 H new ATOM 0 HB ILE A 31 -4.651 -0.875 1.358 1.00 42.54 H new ATOM 0 HG12 ILE A 31 -5.473 0.718 -0.286 1.00 71.03 H new ATOM 0 HG13 ILE A 31 -3.895 0.150 -0.792 1.00 71.03 H new ATOM 0 HG21 ILE A 31 -3.037 -2.068 -0.101 1.00 12.32 H new ATOM 0 HG22 ILE A 31 -4.053 -3.190 0.835 1.00 12.32 H new ATOM 0 HG23 ILE A 31 -4.389 -2.914 -0.891 1.00 12.32 H new ATOM 0 HD11 ILE A 31 -5.411 0.343 -2.705 1.00 13.15 H new ATOM 0 HD12 ILE A 31 -4.952 -1.357 -2.446 1.00 13.15 H new ATOM 0 HD13 ILE A 31 -6.556 -0.780 -1.933 1.00 13.15 H new ATOM 482 N ARG A 32 -6.096 -2.528 2.930 1.00 52.05 N ATOM 483 CA ARG A 32 -6.001 -3.482 4.060 1.00 14.35 C ATOM 484 C ARG A 32 -7.261 -4.378 4.184 1.00 73.15 C ATOM 485 O ARG A 32 -7.087 -5.592 4.178 1.00 73.25 O ATOM 486 CB ARG A 32 -5.703 -2.784 5.425 1.00 22.33 C ATOM 487 CG ARG A 32 -4.436 -1.914 5.456 1.00 40.20 C ATOM 488 CD ARG A 32 -4.104 -1.381 6.859 1.00 5.24 C ATOM 489 NE ARG A 32 -3.712 -2.461 7.781 1.00 73.33 N ATOM 490 CZ ARG A 32 -3.569 -2.339 9.107 1.00 24.54 C ATOM 491 NH1 ARG A 32 -3.777 -1.177 9.726 1.00 23.40 N ATOM 492 NH2 ARG A 32 -3.202 -3.390 9.812 1.00 4.14 N ATOM 0 H ARG A 32 -5.812 -1.580 3.177 1.00 52.05 H new ATOM 0 HA ARG A 32 -5.149 -4.119 3.822 1.00 14.35 H new ATOM 0 HB2 ARG A 32 -6.558 -2.162 5.690 1.00 22.33 H new ATOM 0 HB3 ARG A 32 -5.616 -3.551 6.195 1.00 22.33 H new ATOM 0 HG2 ARG A 32 -3.593 -2.498 5.087 1.00 40.20 H new ATOM 0 HG3 ARG A 32 -4.564 -1.072 4.775 1.00 40.20 H new ATOM 0 HD2 ARG A 32 -3.296 -0.653 6.788 1.00 5.24 H new ATOM 0 HD3 ARG A 32 -4.970 -0.857 7.262 1.00 5.24 H new ATOM 0 HE ARG A 32 -3.534 -3.380 7.375 1.00 73.33 H new ATOM 0 HH11 ARG A 32 -4.052 -0.355 9.188 1.00 23.40 H new ATOM 0 HH12 ARG A 32 -3.661 -1.110 10.737 1.00 23.40 H new ATOM 0 HH21 ARG A 32 -3.031 -4.282 9.347 1.00 4.14 H new ATOM 0 HH22 ARG A 32 -3.089 -3.312 10.823 1.00 4.14 H new ATOM 506 N PRO A 33 -8.549 -3.817 4.263 1.00 15.33 N ATOM 507 CA PRO A 33 -9.787 -4.647 4.386 1.00 1.44 C ATOM 508 C PRO A 33 -9.876 -5.761 3.319 1.00 35.54 C ATOM 509 O PRO A 33 -10.192 -6.905 3.643 1.00 52.11 O ATOM 510 CB PRO A 33 -10.930 -3.609 4.210 1.00 14.55 C ATOM 511 CG PRO A 33 -10.342 -2.323 4.698 1.00 12.23 C ATOM 512 CD PRO A 33 -8.902 -2.356 4.248 1.00 64.53 C ATOM 0 HA PRO A 33 -9.824 -5.184 5.334 1.00 1.44 H new ATOM 0 HB2 PRO A 33 -11.242 -3.534 3.168 1.00 14.55 H new ATOM 0 HB3 PRO A 33 -11.812 -3.887 4.787 1.00 14.55 H new ATOM 0 HG2 PRO A 33 -10.867 -1.465 4.279 1.00 12.23 H new ATOM 0 HG3 PRO A 33 -10.415 -2.242 5.783 1.00 12.23 H new ATOM 0 HD2 PRO A 33 -8.785 -1.927 3.253 1.00 64.53 H new ATOM 0 HD3 PRO A 33 -8.261 -1.784 4.919 1.00 64.53 H new ATOM 520 N THR A 34 -9.538 -5.398 2.070 1.00 11.23 N ATOM 521 CA THR A 34 -9.577 -6.296 0.907 1.00 40.45 C ATOM 522 C THR A 34 -8.534 -7.433 1.042 1.00 52.23 C ATOM 523 O THR A 34 -8.823 -8.600 0.750 1.00 15.54 O ATOM 524 CB THR A 34 -9.312 -5.466 -0.395 1.00 65.10 C ATOM 525 OG1 THR A 34 -10.214 -4.343 -0.439 1.00 40.31 O ATOM 526 CG2 THR A 34 -9.479 -6.298 -1.678 1.00 62.34 C ATOM 0 H THR A 34 -9.225 -4.455 1.838 1.00 11.23 H new ATOM 0 HA THR A 34 -10.563 -6.757 0.853 1.00 40.45 H new ATOM 0 HB THR A 34 -8.275 -5.132 -0.357 1.00 65.10 H new ATOM 0 HG1 THR A 34 -9.754 -3.541 -0.114 1.00 40.31 H new ATOM 0 HG21 THR A 34 -9.283 -5.670 -2.547 1.00 62.34 H new ATOM 0 HG22 THR A 34 -8.776 -7.131 -1.666 1.00 62.34 H new ATOM 0 HG23 THR A 34 -10.497 -6.684 -1.731 1.00 62.34 H new ATOM 534 N VAL A 35 -7.325 -7.064 1.505 1.00 73.34 N ATOM 535 CA VAL A 35 -6.192 -7.999 1.677 1.00 12.22 C ATOM 536 C VAL A 35 -6.444 -8.960 2.867 1.00 34.11 C ATOM 537 O VAL A 35 -6.048 -10.134 2.841 1.00 41.33 O ATOM 538 CB VAL A 35 -4.842 -7.207 1.879 1.00 32.43 C ATOM 539 CG1 VAL A 35 -3.617 -8.149 1.927 1.00 10.53 C ATOM 540 CG2 VAL A 35 -4.656 -6.148 0.775 1.00 74.33 C ATOM 0 H VAL A 35 -7.103 -6.105 1.772 1.00 73.34 H new ATOM 0 HA VAL A 35 -6.107 -8.597 0.770 1.00 12.22 H new ATOM 0 HB VAL A 35 -4.910 -6.704 2.844 1.00 32.43 H new ATOM 0 HG11 VAL A 35 -2.711 -7.560 2.067 1.00 10.53 H new ATOM 0 HG12 VAL A 35 -3.728 -8.848 2.756 1.00 10.53 H new ATOM 0 HG13 VAL A 35 -3.548 -8.704 0.991 1.00 10.53 H new ATOM 0 HG21 VAL A 35 -3.719 -5.615 0.936 1.00 74.33 H new ATOM 0 HG22 VAL A 35 -4.633 -6.638 -0.199 1.00 74.33 H new ATOM 0 HG23 VAL A 35 -5.485 -5.441 0.806 1.00 74.33 H new ATOM 550 N GLN A 36 -7.152 -8.450 3.890 1.00 70.24 N ATOM 551 CA GLN A 36 -7.529 -9.229 5.089 1.00 73.04 C ATOM 552 C GLN A 36 -8.584 -10.291 4.731 1.00 33.43 C ATOM 553 O GLN A 36 -8.574 -11.393 5.293 1.00 11.41 O ATOM 554 CB GLN A 36 -8.021 -8.276 6.207 1.00 21.22 C ATOM 555 CG GLN A 36 -6.925 -7.312 6.723 1.00 44.11 C ATOM 556 CD GLN A 36 -7.450 -6.128 7.536 1.00 1.21 C ATOM 557 OE1 GLN A 36 -8.600 -5.718 7.399 1.00 32.22 O ATOM 558 NE2 GLN A 36 -6.590 -5.514 8.330 1.00 10.14 N ATOM 0 H GLN A 36 -7.481 -7.485 3.911 1.00 70.24 H new ATOM 0 HA GLN A 36 -6.654 -9.758 5.466 1.00 73.04 H new ATOM 0 HB2 GLN A 36 -8.861 -7.691 5.832 1.00 21.22 H new ATOM 0 HB3 GLN A 36 -8.394 -8.870 7.042 1.00 21.22 H new ATOM 0 HG2 GLN A 36 -6.224 -7.876 7.338 1.00 44.11 H new ATOM 0 HG3 GLN A 36 -6.365 -6.930 5.870 1.00 44.11 H new ATOM 0 HE21 GLN A 36 -5.640 -5.873 8.428 1.00 10.14 H new ATOM 0 HE22 GLN A 36 -6.876 -4.681 8.845 1.00 10.14 H new ATOM 567 N GLU A 37 -9.475 -9.948 3.778 1.00 54.14 N ATOM 568 CA GLU A 37 -10.436 -10.898 3.178 1.00 74.54 C ATOM 569 C GLU A 37 -9.700 -11.932 2.301 1.00 25.22 C ATOM 570 O GLU A 37 -10.093 -13.104 2.240 1.00 62.24 O ATOM 571 CB GLU A 37 -11.491 -10.135 2.335 1.00 20.15 C ATOM 572 CG GLU A 37 -12.370 -9.163 3.149 1.00 74.12 C ATOM 573 CD GLU A 37 -13.307 -8.324 2.267 1.00 5.12 C ATOM 574 OE1 GLU A 37 -12.802 -7.464 1.509 1.00 34.01 O ATOM 575 OE2 GLU A 37 -14.540 -8.536 2.297 1.00 33.43 O ATOM 0 H GLU A 37 -9.549 -9.003 3.402 1.00 54.14 H new ATOM 0 HA GLU A 37 -10.946 -11.427 3.983 1.00 74.54 H new ATOM 0 HB2 GLU A 37 -10.978 -9.575 1.553 1.00 20.15 H new ATOM 0 HB3 GLU A 37 -12.135 -10.860 1.838 1.00 20.15 H new ATOM 0 HG2 GLU A 37 -12.965 -9.731 3.865 1.00 74.12 H new ATOM 0 HG3 GLU A 37 -11.728 -8.497 3.726 1.00 74.12 H new ATOM 582 N ASP A 38 -8.631 -11.469 1.624 1.00 45.05 N ATOM 583 CA ASP A 38 -7.766 -12.311 0.763 1.00 52.13 C ATOM 584 C ASP A 38 -6.961 -13.335 1.603 1.00 42.25 C ATOM 585 O ASP A 38 -6.568 -14.396 1.097 1.00 3.31 O ATOM 586 CB ASP A 38 -6.812 -11.374 -0.040 1.00 22.21 C ATOM 587 CG ASP A 38 -5.879 -12.095 -1.030 1.00 5.44 C ATOM 588 OD1 ASP A 38 -4.775 -12.526 -0.632 1.00 31.42 O ATOM 589 OD2 ASP A 38 -6.248 -12.226 -2.217 1.00 73.52 O ATOM 0 H ASP A 38 -8.338 -10.493 1.657 1.00 45.05 H new ATOM 0 HA ASP A 38 -8.386 -12.886 0.075 1.00 52.13 H new ATOM 0 HB2 ASP A 38 -7.414 -10.652 -0.591 1.00 22.21 H new ATOM 0 HB3 ASP A 38 -6.203 -10.809 0.665 1.00 22.21 H new ATOM 594 N GLY A 39 -6.761 -13.022 2.896 1.00 22.23 N ATOM 595 CA GLY A 39 -6.105 -13.931 3.848 1.00 11.53 C ATOM 596 C GLY A 39 -4.703 -13.469 4.222 1.00 44.53 C ATOM 597 O GLY A 39 -3.802 -14.289 4.440 1.00 65.14 O ATOM 0 H GLY A 39 -7.049 -12.134 3.307 1.00 22.23 H new ATOM 0 HA2 GLY A 39 -6.712 -14.007 4.750 1.00 11.53 H new ATOM 0 HA3 GLY A 39 -6.052 -14.930 3.414 1.00 11.53 H new ATOM 601 N GLY A 40 -4.529 -12.143 4.285 1.00 60.02 N ATOM 602 CA GLY A 40 -3.276 -11.511 4.700 1.00 31.54 C ATOM 603 C GLY A 40 -3.542 -10.135 5.296 1.00 51.42 C ATOM 604 O GLY A 40 -4.539 -9.963 5.999 1.00 72.44 O ATOM 0 H GLY A 40 -5.262 -11.475 4.047 1.00 60.02 H new ATOM 0 HA2 GLY A 40 -2.771 -12.140 5.433 1.00 31.54 H new ATOM 0 HA3 GLY A 40 -2.607 -11.420 3.844 1.00 31.54 H new ATOM 608 N ASP A 41 -2.650 -9.171 5.012 1.00 44.14 N ATOM 609 CA ASP A 41 -2.766 -7.759 5.452 1.00 11.13 C ATOM 610 C ASP A 41 -1.570 -6.959 4.891 1.00 31.32 C ATOM 611 O ASP A 41 -0.565 -7.552 4.471 1.00 31.34 O ATOM 612 CB ASP A 41 -2.835 -7.639 7.013 1.00 31.40 C ATOM 613 CG ASP A 41 -3.006 -6.196 7.539 1.00 42.43 C ATOM 614 OD1 ASP A 41 -3.906 -5.474 7.056 1.00 75.52 O ATOM 615 OD2 ASP A 41 -2.240 -5.779 8.425 1.00 12.10 O ATOM 0 H ASP A 41 -1.811 -9.348 4.460 1.00 44.14 H new ATOM 0 HA ASP A 41 -3.698 -7.347 5.064 1.00 11.13 H new ATOM 0 HB2 ASP A 41 -3.666 -8.245 7.375 1.00 31.40 H new ATOM 0 HB3 ASP A 41 -1.924 -8.061 7.438 1.00 31.40 H new ATOM 620 N VAL A 42 -1.697 -5.624 4.853 1.00 15.13 N ATOM 621 CA VAL A 42 -0.622 -4.706 4.433 1.00 63.44 C ATOM 622 C VAL A 42 -0.426 -3.653 5.545 1.00 12.12 C ATOM 623 O VAL A 42 -1.363 -2.951 5.925 1.00 4.42 O ATOM 624 CB VAL A 42 -0.907 -4.028 3.026 1.00 25.32 C ATOM 625 CG1 VAL A 42 -0.898 -5.079 1.899 1.00 54.32 C ATOM 626 CG2 VAL A 42 -2.233 -3.247 3.004 1.00 4.32 C ATOM 0 H VAL A 42 -2.558 -5.144 5.116 1.00 15.13 H new ATOM 0 HA VAL A 42 0.296 -5.277 4.293 1.00 63.44 H new ATOM 0 HB VAL A 42 -0.102 -3.312 2.859 1.00 25.32 H new ATOM 0 HG11 VAL A 42 -1.096 -4.591 0.945 1.00 54.32 H new ATOM 0 HG12 VAL A 42 0.077 -5.565 1.863 1.00 54.32 H new ATOM 0 HG13 VAL A 42 -1.669 -5.825 2.091 1.00 54.32 H new ATOM 0 HG21 VAL A 42 -2.378 -2.804 2.019 1.00 4.32 H new ATOM 0 HG22 VAL A 42 -3.058 -3.925 3.222 1.00 4.32 H new ATOM 0 HG23 VAL A 42 -2.203 -2.458 3.756 1.00 4.32 H new ATOM 636 N ILE A 43 0.787 -3.598 6.114 1.00 71.41 N ATOM 637 CA ILE A 43 1.116 -2.677 7.215 1.00 15.44 C ATOM 638 C ILE A 43 1.991 -1.554 6.649 1.00 63.54 C ATOM 639 O ILE A 43 2.985 -1.834 5.965 1.00 74.12 O ATOM 640 CB ILE A 43 1.880 -3.377 8.415 1.00 30.53 C ATOM 641 CG1 ILE A 43 1.083 -4.591 9.021 1.00 65.22 C ATOM 642 CG2 ILE A 43 2.217 -2.345 9.529 1.00 52.15 C ATOM 643 CD1 ILE A 43 1.090 -5.862 8.185 1.00 45.12 C ATOM 0 H ILE A 43 1.567 -4.189 5.826 1.00 71.41 H new ATOM 0 HA ILE A 43 0.178 -2.299 7.622 1.00 15.44 H new ATOM 0 HB ILE A 43 2.806 -3.777 8.002 1.00 30.53 H new ATOM 0 HG12 ILE A 43 1.496 -4.821 10.003 1.00 65.22 H new ATOM 0 HG13 ILE A 43 0.049 -4.284 9.175 1.00 65.22 H new ATOM 0 HG21 ILE A 43 2.741 -2.846 10.343 1.00 52.15 H new ATOM 0 HG22 ILE A 43 2.852 -1.560 9.118 1.00 52.15 H new ATOM 0 HG23 ILE A 43 1.295 -1.905 9.908 1.00 52.15 H new ATOM 0 HD11 ILE A 43 0.513 -6.635 8.693 1.00 45.12 H new ATOM 0 HD12 ILE A 43 0.646 -5.659 7.210 1.00 45.12 H new ATOM 0 HD13 ILE A 43 2.116 -6.204 8.052 1.00 45.12 H new ATOM 655 N TYR A 44 1.624 -0.298 6.931 1.00 74.40 N ATOM 656 CA TYR A 44 2.413 0.862 6.521 1.00 63.44 C ATOM 657 C TYR A 44 3.730 0.922 7.324 1.00 74.12 C ATOM 658 O TYR A 44 3.714 1.048 8.553 1.00 24.13 O ATOM 659 CB TYR A 44 1.587 2.152 6.704 1.00 31.23 C ATOM 660 CG TYR A 44 2.280 3.416 6.186 1.00 55.34 C ATOM 661 CD1 TYR A 44 2.292 3.721 4.825 1.00 62.25 C ATOM 662 CD2 TYR A 44 2.909 4.300 7.057 1.00 54.13 C ATOM 663 CE1 TYR A 44 2.893 4.864 4.363 1.00 54.32 C ATOM 664 CE2 TYR A 44 3.498 5.446 6.594 1.00 35.33 C ATOM 665 CZ TYR A 44 3.491 5.721 5.249 1.00 31.42 C ATOM 666 OH TYR A 44 4.061 6.882 4.796 1.00 13.43 O ATOM 0 H TYR A 44 0.776 -0.062 7.447 1.00 74.40 H new ATOM 0 HA TYR A 44 2.668 0.769 5.465 1.00 63.44 H new ATOM 0 HB2 TYR A 44 0.633 2.036 6.189 1.00 31.23 H new ATOM 0 HB3 TYR A 44 1.364 2.281 7.763 1.00 31.23 H new ATOM 0 HD1 TYR A 44 1.821 3.047 4.125 1.00 62.25 H new ATOM 0 HD2 TYR A 44 2.933 4.079 8.114 1.00 54.13 H new ATOM 0 HE1 TYR A 44 2.895 5.087 3.306 1.00 54.32 H new ATOM 0 HE2 TYR A 44 3.967 6.131 7.285 1.00 35.33 H new ATOM 0 HH TYR A 44 4.991 6.931 5.102 1.00 13.43 H new ATOM 676 N LYS A 45 4.860 0.791 6.619 1.00 71.44 N ATOM 677 CA LYS A 45 6.206 0.792 7.229 1.00 3.51 C ATOM 678 C LYS A 45 6.955 2.102 6.961 1.00 54.12 C ATOM 679 O LYS A 45 7.909 2.418 7.686 1.00 61.43 O ATOM 680 CB LYS A 45 7.016 -0.440 6.739 1.00 1.45 C ATOM 681 CG LYS A 45 6.495 -1.778 7.314 1.00 44.52 C ATOM 682 CD LYS A 45 6.582 -1.797 8.860 1.00 11.43 C ATOM 683 CE LYS A 45 5.942 -3.027 9.501 1.00 53.23 C ATOM 684 NZ LYS A 45 6.078 -2.985 10.980 1.00 20.30 N ATOM 0 H LYS A 45 4.872 0.681 5.605 1.00 71.44 H new ATOM 0 HA LYS A 45 6.087 0.719 8.310 1.00 3.51 H new ATOM 0 HB2 LYS A 45 6.980 -0.481 5.650 1.00 1.45 H new ATOM 0 HB3 LYS A 45 8.062 -0.314 7.019 1.00 1.45 H new ATOM 0 HG2 LYS A 45 5.461 -1.932 7.004 1.00 44.52 H new ATOM 0 HG3 LYS A 45 7.077 -2.604 6.905 1.00 44.52 H new ATOM 0 HD2 LYS A 45 7.630 -1.749 9.156 1.00 11.43 H new ATOM 0 HD3 LYS A 45 6.099 -0.902 9.252 1.00 11.43 H new ATOM 0 HE2 LYS A 45 4.887 -3.076 9.230 1.00 53.23 H new ATOM 0 HE3 LYS A 45 6.413 -3.931 9.114 1.00 53.23 H new ATOM 0 HZ1 LYS A 45 5.636 -3.831 11.393 1.00 20.30 H new ATOM 0 HZ2 LYS A 45 7.086 -2.961 11.235 1.00 20.30 H new ATOM 0 HZ3 LYS A 45 5.608 -2.134 11.348 1.00 20.30 H new ATOM 698 N GLY A 46 6.543 2.859 5.927 1.00 45.33 N ATOM 699 CA GLY A 46 7.081 4.210 5.725 1.00 35.35 C ATOM 700 C GLY A 46 6.833 4.782 4.339 1.00 14.35 C ATOM 701 O GLY A 46 6.095 4.202 3.533 1.00 31.10 O ATOM 0 H GLY A 46 5.855 2.564 5.235 1.00 45.33 H new ATOM 0 HA2 GLY A 46 6.640 4.878 6.465 1.00 35.35 H new ATOM 0 HA3 GLY A 46 8.155 4.192 5.911 1.00 35.35 H new ATOM 705 N PHE A 47 7.458 5.946 4.095 1.00 34.23 N ATOM 706 CA PHE A 47 7.424 6.667 2.814 1.00 1.45 C ATOM 707 C PHE A 47 8.767 7.386 2.677 1.00 52.15 C ATOM 708 O PHE A 47 9.022 8.365 3.380 1.00 72.15 O ATOM 709 CB PHE A 47 6.239 7.678 2.828 1.00 13.41 C ATOM 710 CG PHE A 47 6.033 8.511 1.563 1.00 41.01 C ATOM 711 CD1 PHE A 47 5.578 7.920 0.391 1.00 50.42 C ATOM 712 CD2 PHE A 47 6.266 9.892 1.552 1.00 43.21 C ATOM 713 CE1 PHE A 47 5.358 8.671 -0.748 1.00 71.21 C ATOM 714 CE2 PHE A 47 6.043 10.639 0.411 1.00 1.21 C ATOM 715 CZ PHE A 47 5.594 10.030 -0.738 1.00 34.43 C ATOM 0 H PHE A 47 8.016 6.423 4.803 1.00 34.23 H new ATOM 0 HA PHE A 47 7.274 5.995 1.969 1.00 1.45 H new ATOM 0 HB2 PHE A 47 5.321 7.124 3.024 1.00 13.41 H new ATOM 0 HB3 PHE A 47 6.384 8.361 3.665 1.00 13.41 H new ATOM 0 HD1 PHE A 47 5.393 6.856 0.370 1.00 50.42 H new ATOM 0 HD2 PHE A 47 6.625 10.379 2.447 1.00 43.21 H new ATOM 0 HE1 PHE A 47 5.000 8.193 -1.648 1.00 71.21 H new ATOM 0 HE2 PHE A 47 6.222 11.704 0.421 1.00 1.21 H new ATOM 0 HZ PHE A 47 5.427 10.615 -1.630 1.00 34.43 H new ATOM 725 N GLU A 48 9.619 6.899 1.768 1.00 64.21 N ATOM 726 CA GLU A 48 10.982 7.418 1.580 1.00 21.22 C ATOM 727 C GLU A 48 11.143 7.833 0.113 1.00 4.44 C ATOM 728 O GLU A 48 11.254 6.963 -0.757 1.00 74.42 O ATOM 729 CB GLU A 48 12.046 6.335 1.947 1.00 44.44 C ATOM 730 CG GLU A 48 11.918 5.722 3.367 1.00 3.43 C ATOM 731 CD GLU A 48 11.975 6.753 4.512 1.00 2.32 C ATOM 732 OE1 GLU A 48 13.023 7.410 4.679 1.00 54.14 O ATOM 733 OE2 GLU A 48 10.987 6.892 5.261 1.00 63.12 O ATOM 0 H GLU A 48 9.384 6.131 1.139 1.00 64.21 H new ATOM 0 HA GLU A 48 11.137 8.274 2.236 1.00 21.22 H new ATOM 0 HB2 GLU A 48 11.984 5.529 1.216 1.00 44.44 H new ATOM 0 HB3 GLU A 48 13.037 6.778 1.850 1.00 44.44 H new ATOM 0 HG2 GLU A 48 10.976 5.177 3.431 1.00 3.43 H new ATOM 0 HG3 GLU A 48 12.717 4.994 3.509 1.00 3.43 H new ATOM 740 N ASP A 49 11.115 9.159 -0.139 1.00 34.35 N ATOM 741 CA ASP A 49 11.336 9.758 -1.474 1.00 2.40 C ATOM 742 C ASP A 49 10.396 9.146 -2.532 1.00 63.40 C ATOM 743 O ASP A 49 10.838 8.510 -3.494 1.00 43.34 O ATOM 744 CB ASP A 49 12.829 9.652 -1.886 1.00 11.54 C ATOM 745 CG ASP A 49 13.767 10.407 -0.927 1.00 53.31 C ATOM 746 OD1 ASP A 49 13.833 11.651 -1.003 1.00 62.51 O ATOM 747 OD2 ASP A 49 14.430 9.767 -0.082 1.00 33.33 O ATOM 0 H ASP A 49 10.936 9.853 0.587 1.00 34.35 H new ATOM 0 HA ASP A 49 11.089 10.818 -1.414 1.00 2.40 H new ATOM 0 HB2 ASP A 49 13.119 8.602 -1.918 1.00 11.54 H new ATOM 0 HB3 ASP A 49 12.952 10.048 -2.894 1.00 11.54 H new ATOM 752 N GLY A 50 9.084 9.284 -2.275 1.00 12.03 N ATOM 753 CA GLY A 50 8.043 8.819 -3.198 1.00 74.14 C ATOM 754 C GLY A 50 7.680 7.347 -3.058 1.00 31.11 C ATOM 755 O GLY A 50 6.628 6.916 -3.547 1.00 74.51 O ATOM 0 H GLY A 50 8.720 9.718 -1.427 1.00 12.03 H new ATOM 0 HA2 GLY A 50 7.145 9.417 -3.042 1.00 74.14 H new ATOM 0 HA3 GLY A 50 8.375 9.002 -4.220 1.00 74.14 H new ATOM 759 N ILE A 51 8.540 6.570 -2.392 1.00 3.23 N ATOM 760 CA ILE A 51 8.383 5.116 -2.298 1.00 51.35 C ATOM 761 C ILE A 51 7.652 4.743 -1.001 1.00 65.14 C ATOM 762 O ILE A 51 8.193 4.904 0.100 1.00 44.10 O ATOM 763 CB ILE A 51 9.774 4.393 -2.373 1.00 72.34 C ATOM 764 CG1 ILE A 51 10.565 4.846 -3.647 1.00 35.21 C ATOM 765 CG2 ILE A 51 9.604 2.860 -2.336 1.00 42.05 C ATOM 766 CD1 ILE A 51 9.859 4.600 -4.971 1.00 2.32 C ATOM 0 H ILE A 51 9.361 6.930 -1.905 1.00 3.23 H new ATOM 0 HA ILE A 51 7.785 4.782 -3.146 1.00 51.35 H new ATOM 0 HB ILE A 51 10.355 4.681 -1.497 1.00 72.34 H new ATOM 0 HG12 ILE A 51 10.780 5.911 -3.561 1.00 35.21 H new ATOM 0 HG13 ILE A 51 11.523 4.327 -3.663 1.00 35.21 H new ATOM 0 HG21 ILE A 51 10.583 2.384 -2.389 1.00 42.05 H new ATOM 0 HG22 ILE A 51 9.110 2.571 -1.408 1.00 42.05 H new ATOM 0 HG23 ILE A 51 8.999 2.540 -3.184 1.00 42.05 H new ATOM 0 HD11 ILE A 51 10.489 4.948 -5.789 1.00 2.32 H new ATOM 0 HD12 ILE A 51 9.668 3.533 -5.089 1.00 2.32 H new ATOM 0 HD13 ILE A 51 8.913 5.142 -4.985 1.00 2.32 H new ATOM 778 N VAL A 52 6.413 4.257 -1.149 1.00 3.50 N ATOM 779 CA VAL A 52 5.576 3.811 -0.034 1.00 2.04 C ATOM 780 C VAL A 52 5.995 2.387 0.360 1.00 64.33 C ATOM 781 O VAL A 52 5.691 1.420 -0.349 1.00 15.52 O ATOM 782 CB VAL A 52 4.050 3.848 -0.412 1.00 61.12 C ATOM 783 CG1 VAL A 52 3.160 3.506 0.802 1.00 43.43 C ATOM 784 CG2 VAL A 52 3.669 5.215 -1.014 1.00 33.14 C ATOM 0 H VAL A 52 5.961 4.162 -2.058 1.00 3.50 H new ATOM 0 HA VAL A 52 5.718 4.488 0.808 1.00 2.04 H new ATOM 0 HB VAL A 52 3.875 3.084 -1.170 1.00 61.12 H new ATOM 0 HG11 VAL A 52 2.112 3.541 0.506 1.00 43.43 H new ATOM 0 HG12 VAL A 52 3.403 2.506 1.161 1.00 43.43 H new ATOM 0 HG13 VAL A 52 3.336 4.230 1.598 1.00 43.43 H new ATOM 0 HG21 VAL A 52 2.609 5.218 -1.268 1.00 33.14 H new ATOM 0 HG22 VAL A 52 3.870 6.002 -0.287 1.00 33.14 H new ATOM 0 HG23 VAL A 52 4.258 5.393 -1.914 1.00 33.14 H new ATOM 794 N GLN A 53 6.718 2.271 1.471 1.00 21.41 N ATOM 795 CA GLN A 53 7.251 0.992 1.951 1.00 53.42 C ATOM 796 C GLN A 53 6.188 0.280 2.803 1.00 71.21 C ATOM 797 O GLN A 53 5.730 0.827 3.814 1.00 4.14 O ATOM 798 CB GLN A 53 8.556 1.235 2.748 1.00 10.43 C ATOM 799 CG GLN A 53 9.750 1.683 1.872 1.00 4.14 C ATOM 800 CD GLN A 53 11.057 1.852 2.653 1.00 62.51 C ATOM 801 OE1 GLN A 53 11.267 1.221 3.694 1.00 75.12 O ATOM 802 NE2 GLN A 53 11.966 2.670 2.139 1.00 31.34 N ATOM 0 H GLN A 53 6.954 3.063 2.069 1.00 21.41 H new ATOM 0 HA GLN A 53 7.493 0.347 1.106 1.00 53.42 H new ATOM 0 HB2 GLN A 53 8.370 1.994 3.508 1.00 10.43 H new ATOM 0 HB3 GLN A 53 8.826 0.318 3.272 1.00 10.43 H new ATOM 0 HG2 GLN A 53 9.903 0.951 1.079 1.00 4.14 H new ATOM 0 HG3 GLN A 53 9.501 2.628 1.389 1.00 4.14 H new ATOM 0 HE21 GLN A 53 11.766 3.179 1.278 1.00 31.34 H new ATOM 0 HE22 GLN A 53 12.865 2.790 2.605 1.00 31.34 H new ATOM 811 N LEU A 54 5.783 -0.933 2.366 1.00 40.23 N ATOM 812 CA LEU A 54 4.676 -1.703 2.971 1.00 52.41 C ATOM 813 C LEU A 54 5.106 -3.148 3.268 1.00 3.14 C ATOM 814 O LEU A 54 5.763 -3.791 2.445 1.00 31.44 O ATOM 815 CB LEU A 54 3.449 -1.724 2.016 1.00 2.13 C ATOM 816 CG LEU A 54 2.852 -0.339 1.633 1.00 33.13 C ATOM 817 CD1 LEU A 54 1.661 -0.484 0.677 1.00 4.42 C ATOM 818 CD2 LEU A 54 2.459 0.457 2.884 1.00 11.12 C ATOM 0 H LEU A 54 6.220 -1.408 1.576 1.00 40.23 H new ATOM 0 HA LEU A 54 4.406 -1.215 3.907 1.00 52.41 H new ATOM 0 HB2 LEU A 54 3.737 -2.238 1.099 1.00 2.13 H new ATOM 0 HB3 LEU A 54 2.663 -2.319 2.481 1.00 2.13 H new ATOM 0 HG LEU A 54 3.628 0.218 1.108 1.00 33.13 H new ATOM 0 HD11 LEU A 54 1.270 0.503 0.431 1.00 4.42 H new ATOM 0 HD12 LEU A 54 1.986 -0.983 -0.236 1.00 4.42 H new ATOM 0 HD13 LEU A 54 0.880 -1.075 1.156 1.00 4.42 H new ATOM 0 HD21 LEU A 54 2.045 1.420 2.587 1.00 11.12 H new ATOM 0 HD22 LEU A 54 1.712 -0.100 3.450 1.00 11.12 H new ATOM 0 HD23 LEU A 54 3.340 0.617 3.505 1.00 11.12 H new ATOM 830 N LYS A 55 4.704 -3.650 4.444 1.00 34.11 N ATOM 831 CA LYS A 55 4.906 -5.044 4.843 1.00 42.42 C ATOM 832 C LYS A 55 3.717 -5.889 4.352 1.00 0.13 C ATOM 833 O LYS A 55 2.587 -5.689 4.809 1.00 44.44 O ATOM 834 CB LYS A 55 5.045 -5.141 6.385 1.00 72.04 C ATOM 835 CG LYS A 55 5.195 -6.581 6.927 1.00 42.11 C ATOM 836 CD LYS A 55 5.309 -6.634 8.465 1.00 21.52 C ATOM 837 CE LYS A 55 5.340 -8.075 8.997 1.00 52.14 C ATOM 838 NZ LYS A 55 6.482 -8.854 8.452 1.00 50.31 N ATOM 0 H LYS A 55 4.225 -3.091 5.150 1.00 34.11 H new ATOM 0 HA LYS A 55 5.823 -5.425 4.393 1.00 42.42 H new ATOM 0 HB2 LYS A 55 5.911 -4.557 6.696 1.00 72.04 H new ATOM 0 HB3 LYS A 55 4.170 -4.683 6.845 1.00 72.04 H new ATOM 0 HG2 LYS A 55 4.337 -7.174 6.610 1.00 42.11 H new ATOM 0 HG3 LYS A 55 6.080 -7.040 6.486 1.00 42.11 H new ATOM 0 HD2 LYS A 55 6.214 -6.114 8.778 1.00 21.52 H new ATOM 0 HD3 LYS A 55 4.466 -6.103 8.908 1.00 21.52 H new ATOM 0 HE2 LYS A 55 5.402 -8.057 10.085 1.00 52.14 H new ATOM 0 HE3 LYS A 55 4.406 -8.575 8.739 1.00 52.14 H new ATOM 0 HZ1 LYS A 55 6.520 -9.784 8.915 1.00 50.31 H new ATOM 0 HZ2 LYS A 55 6.357 -8.982 7.428 1.00 50.31 H new ATOM 0 HZ3 LYS A 55 7.369 -8.341 8.631 1.00 50.31 H new ATOM 852 N LEU A 56 3.972 -6.813 3.413 1.00 54.00 N ATOM 853 CA LEU A 56 2.931 -7.722 2.896 1.00 14.01 C ATOM 854 C LEU A 56 2.910 -8.991 3.774 1.00 44.24 C ATOM 855 O LEU A 56 3.963 -9.562 4.061 1.00 62.21 O ATOM 856 CB LEU A 56 3.187 -8.098 1.405 1.00 11.43 C ATOM 857 CG LEU A 56 3.454 -6.923 0.404 1.00 42.45 C ATOM 858 CD1 LEU A 56 3.476 -7.431 -1.053 1.00 74.14 C ATOM 859 CD2 LEU A 56 2.453 -5.761 0.570 1.00 0.24 C ATOM 0 H LEU A 56 4.891 -6.952 2.994 1.00 54.00 H new ATOM 0 HA LEU A 56 1.966 -7.217 2.938 1.00 14.01 H new ATOM 0 HB2 LEU A 56 4.042 -8.773 1.369 1.00 11.43 H new ATOM 0 HB3 LEU A 56 2.324 -8.658 1.045 1.00 11.43 H new ATOM 0 HG LEU A 56 4.439 -6.524 0.646 1.00 42.45 H new ATOM 0 HD11 LEU A 56 3.663 -6.595 -1.727 1.00 74.14 H new ATOM 0 HD12 LEU A 56 4.266 -8.173 -1.168 1.00 74.14 H new ATOM 0 HD13 LEU A 56 2.515 -7.884 -1.295 1.00 74.14 H new ATOM 0 HD21 LEU A 56 2.685 -4.975 -0.149 1.00 0.24 H new ATOM 0 HD22 LEU A 56 1.441 -6.125 0.395 1.00 0.24 H new ATOM 0 HD23 LEU A 56 2.525 -5.361 1.581 1.00 0.24 H new ATOM 871 N GLN A 57 1.711 -9.431 4.177 1.00 0.43 N ATOM 872 CA GLN A 57 1.528 -10.648 5.005 1.00 52.33 C ATOM 873 C GLN A 57 1.283 -11.871 4.097 1.00 64.24 C ATOM 874 O GLN A 57 1.176 -11.730 2.865 1.00 33.00 O ATOM 875 CB GLN A 57 0.340 -10.465 5.992 1.00 12.53 C ATOM 876 CG GLN A 57 0.584 -9.468 7.149 1.00 21.11 C ATOM 877 CD GLN A 57 1.536 -9.991 8.244 1.00 35.50 C ATOM 878 OE1 GLN A 57 1.642 -11.194 8.484 1.00 65.33 O ATOM 879 NE2 GLN A 57 2.205 -9.091 8.942 1.00 74.00 N ATOM 0 H GLN A 57 0.837 -8.960 3.943 1.00 0.43 H new ATOM 0 HA GLN A 57 2.435 -10.813 5.586 1.00 52.33 H new ATOM 0 HB2 GLN A 57 -0.531 -10.133 5.427 1.00 12.53 H new ATOM 0 HB3 GLN A 57 0.092 -11.437 6.419 1.00 12.53 H new ATOM 0 HG2 GLN A 57 0.993 -8.545 6.738 1.00 21.11 H new ATOM 0 HG3 GLN A 57 -0.373 -9.217 7.605 1.00 21.11 H new ATOM 0 HE21 GLN A 57 2.103 -8.099 8.727 1.00 74.00 H new ATOM 0 HE22 GLN A 57 2.824 -9.388 9.696 1.00 74.00 H new ATOM 888 N GLY A 58 1.199 -13.066 4.734 1.00 15.12 N ATOM 889 CA GLY A 58 1.094 -14.362 4.043 1.00 34.31 C ATOM 890 C GLY A 58 -0.072 -14.445 3.071 1.00 40.13 C ATOM 891 O GLY A 58 -1.013 -13.642 3.168 1.00 10.13 O ATOM 0 H GLY A 58 1.203 -13.150 5.750 1.00 15.12 H new ATOM 0 HA2 GLY A 58 2.021 -14.551 3.501 1.00 34.31 H new ATOM 0 HA3 GLY A 58 0.993 -15.153 4.786 1.00 34.31 H new ATOM 895 N SER A 59 0.010 -15.439 2.155 1.00 52.42 N ATOM 896 CA SER A 59 -0.884 -15.610 0.986 1.00 2.21 C ATOM 897 C SER A 59 -0.530 -14.579 -0.108 1.00 55.55 C ATOM 898 O SER A 59 -0.117 -14.948 -1.218 1.00 23.21 O ATOM 899 CB SER A 59 -2.391 -15.548 1.368 1.00 42.25 C ATOM 900 OG SER A 59 -2.674 -16.398 2.470 1.00 13.20 O ATOM 0 H SER A 59 0.723 -16.167 2.211 1.00 52.42 H new ATOM 0 HA SER A 59 -0.719 -16.612 0.589 1.00 2.21 H new ATOM 0 HB2 SER A 59 -2.665 -14.522 1.616 1.00 42.25 H new ATOM 0 HB3 SER A 59 -2.999 -15.842 0.512 1.00 42.25 H new ATOM 0 HG SER A 59 -3.063 -15.871 3.198 1.00 13.20 H new ATOM 906 N CYS A 60 -0.655 -13.291 0.241 1.00 20.23 N ATOM 907 CA CYS A 60 -0.384 -12.157 -0.653 1.00 41.31 C ATOM 908 C CYS A 60 1.105 -12.103 -1.074 1.00 15.12 C ATOM 909 O CYS A 60 1.421 -11.853 -2.240 1.00 35.41 O ATOM 910 CB CYS A 60 -0.791 -10.864 0.070 1.00 4.20 C ATOM 911 SG CYS A 60 -2.458 -10.938 0.759 1.00 65.22 S ATOM 0 H CYS A 60 -0.954 -13.003 1.173 1.00 20.23 H new ATOM 0 HA CYS A 60 -0.965 -12.276 -1.568 1.00 41.31 H new ATOM 0 HB2 CYS A 60 -0.081 -10.663 0.872 1.00 4.20 H new ATOM 0 HB3 CYS A 60 -0.729 -10.029 -0.628 1.00 4.20 H new ATOM 0 HG CYS A 60 -3.216 -11.657 -0.015 1.00 65.22 H new ATOM 917 N THR A 61 2.010 -12.350 -0.102 1.00 4.21 N ATOM 918 CA THR A 61 3.473 -12.350 -0.337 1.00 60.45 C ATOM 919 C THR A 61 3.978 -13.741 -0.800 1.00 62.32 C ATOM 920 O THR A 61 5.151 -13.894 -1.158 1.00 72.34 O ATOM 921 CB THR A 61 4.248 -11.894 0.954 1.00 1.23 C ATOM 922 OG1 THR A 61 5.636 -11.662 0.661 1.00 15.21 O ATOM 923 CG2 THR A 61 4.148 -12.917 2.105 1.00 31.32 C ATOM 0 H THR A 61 1.750 -12.554 0.863 1.00 4.21 H new ATOM 0 HA THR A 61 3.672 -11.636 -1.137 1.00 60.45 H new ATOM 0 HB THR A 61 3.771 -10.969 1.279 1.00 1.23 H new ATOM 0 HG1 THR A 61 5.939 -12.301 -0.017 1.00 15.21 H new ATOM 0 HG21 THR A 61 4.702 -12.548 2.969 1.00 31.32 H new ATOM 0 HG22 THR A 61 3.102 -13.057 2.377 1.00 31.32 H new ATOM 0 HG23 THR A 61 4.570 -13.869 1.783 1.00 31.32 H new ATOM 931 N SER A 62 3.077 -14.740 -0.796 1.00 71.34 N ATOM 932 CA SER A 62 3.423 -16.150 -1.063 1.00 31.54 C ATOM 933 C SER A 62 3.369 -16.497 -2.558 1.00 31.43 C ATOM 934 O SER A 62 3.765 -17.598 -2.951 1.00 51.24 O ATOM 935 CB SER A 62 2.464 -17.052 -0.258 1.00 63.34 C ATOM 936 OG SER A 62 2.457 -16.679 1.113 1.00 12.45 O ATOM 0 H SER A 62 2.086 -14.593 -0.607 1.00 71.34 H new ATOM 0 HA SER A 62 4.453 -16.317 -0.750 1.00 31.54 H new ATOM 0 HB2 SER A 62 1.456 -16.976 -0.666 1.00 63.34 H new ATOM 0 HB3 SER A 62 2.769 -18.094 -0.355 1.00 63.34 H new ATOM 0 HG SER A 62 2.115 -17.422 1.653 1.00 12.45 H new ATOM 942 N CYS A 63 2.876 -15.557 -3.381 1.00 44.40 N ATOM 943 CA CYS A 63 2.716 -15.750 -4.824 1.00 55.33 C ATOM 944 C CYS A 63 3.038 -14.427 -5.556 1.00 33.22 C ATOM 945 O CYS A 63 2.467 -13.382 -5.204 1.00 62.43 O ATOM 946 CB CYS A 63 1.274 -16.222 -5.112 1.00 32.43 C ATOM 947 SG CYS A 63 0.004 -15.182 -4.363 1.00 52.11 S ATOM 0 H CYS A 63 2.577 -14.637 -3.058 1.00 44.40 H new ATOM 0 HA CYS A 63 3.405 -16.512 -5.188 1.00 55.33 H new ATOM 0 HB2 CYS A 63 1.119 -16.249 -6.191 1.00 32.43 H new ATOM 0 HB3 CYS A 63 1.156 -17.243 -4.748 1.00 32.43 H new ATOM 0 HG CYS A 63 0.133 -15.203 -3.070 1.00 52.11 H new ATOM 953 N PRO A 64 3.956 -14.447 -6.587 1.00 3.41 N ATOM 954 CA PRO A 64 4.415 -13.216 -7.288 1.00 70.42 C ATOM 955 C PRO A 64 3.277 -12.477 -8.009 1.00 3.43 C ATOM 956 O PRO A 64 3.359 -11.264 -8.199 1.00 41.33 O ATOM 957 CB PRO A 64 5.488 -13.731 -8.285 1.00 23.15 C ATOM 958 CG PRO A 64 5.158 -15.184 -8.481 1.00 3.02 C ATOM 959 CD PRO A 64 4.615 -15.665 -7.148 1.00 24.12 C ATOM 0 HA PRO A 64 4.805 -12.477 -6.589 1.00 70.42 H new ATOM 0 HB2 PRO A 64 5.448 -13.185 -9.227 1.00 23.15 H new ATOM 0 HB3 PRO A 64 6.494 -13.603 -7.885 1.00 23.15 H new ATOM 0 HG2 PRO A 64 4.422 -15.315 -9.274 1.00 3.02 H new ATOM 0 HG3 PRO A 64 6.043 -15.751 -8.771 1.00 3.02 H new ATOM 0 HD2 PRO A 64 3.907 -16.484 -7.274 1.00 24.12 H new ATOM 0 HD3 PRO A 64 5.410 -16.028 -6.497 1.00 24.12 H new ATOM 967 N SER A 65 2.215 -13.223 -8.384 1.00 71.11 N ATOM 968 CA SER A 65 1.017 -12.658 -9.024 1.00 12.31 C ATOM 969 C SER A 65 0.342 -11.624 -8.107 1.00 41.31 C ATOM 970 O SER A 65 0.046 -10.506 -8.537 1.00 52.01 O ATOM 971 CB SER A 65 0.032 -13.787 -9.385 1.00 71.11 C ATOM 972 OG SER A 65 0.636 -14.732 -10.255 1.00 32.12 O ATOM 0 H SER A 65 2.169 -14.233 -8.250 1.00 71.11 H new ATOM 0 HA SER A 65 1.320 -12.148 -9.939 1.00 12.31 H new ATOM 0 HB2 SER A 65 -0.303 -14.287 -8.476 1.00 71.11 H new ATOM 0 HB3 SER A 65 -0.853 -13.364 -9.860 1.00 71.11 H new ATOM 0 HG SER A 65 -0.008 -15.439 -10.468 1.00 32.12 H new ATOM 978 N SER A 66 0.133 -12.009 -6.831 1.00 12.54 N ATOM 979 CA SER A 66 -0.526 -11.148 -5.841 1.00 44.43 C ATOM 980 C SER A 66 0.384 -9.991 -5.413 1.00 70.05 C ATOM 981 O SER A 66 -0.112 -8.912 -5.159 1.00 3.43 O ATOM 982 CB SER A 66 -0.990 -11.972 -4.625 1.00 45.40 C ATOM 983 OG SER A 66 -1.939 -12.957 -5.004 1.00 12.01 O ATOM 0 H SER A 66 0.415 -12.918 -6.465 1.00 12.54 H new ATOM 0 HA SER A 66 -1.408 -10.712 -6.310 1.00 44.43 H new ATOM 0 HB2 SER A 66 -0.130 -12.452 -4.158 1.00 45.40 H new ATOM 0 HB3 SER A 66 -1.428 -11.309 -3.879 1.00 45.40 H new ATOM 0 HG SER A 66 -1.591 -13.847 -4.787 1.00 12.01 H new ATOM 989 N ILE A 67 1.713 -10.223 -5.348 1.00 23.33 N ATOM 990 CA ILE A 67 2.698 -9.164 -5.022 1.00 3.01 C ATOM 991 C ILE A 67 2.655 -8.027 -6.074 1.00 24.42 C ATOM 992 O ILE A 67 2.591 -6.847 -5.716 1.00 0.00 O ATOM 993 CB ILE A 67 4.156 -9.758 -4.925 1.00 31.31 C ATOM 994 CG1 ILE A 67 4.210 -10.900 -3.859 1.00 51.14 C ATOM 995 CG2 ILE A 67 5.204 -8.656 -4.607 1.00 2.31 C ATOM 996 CD1 ILE A 67 5.532 -11.642 -3.781 1.00 62.12 C ATOM 0 H ILE A 67 2.131 -11.138 -5.517 1.00 23.33 H new ATOM 0 HA ILE A 67 2.429 -8.750 -4.051 1.00 3.01 H new ATOM 0 HB ILE A 67 4.410 -10.177 -5.899 1.00 31.31 H new ATOM 0 HG12 ILE A 67 3.992 -10.473 -2.880 1.00 51.14 H new ATOM 0 HG13 ILE A 67 3.420 -11.618 -4.077 1.00 51.14 H new ATOM 0 HG21 ILE A 67 6.196 -9.104 -4.548 1.00 2.31 H new ATOM 0 HG22 ILE A 67 5.192 -7.904 -5.396 1.00 2.31 H new ATOM 0 HG23 ILE A 67 4.961 -8.187 -3.654 1.00 2.31 H new ATOM 0 HD11 ILE A 67 5.471 -12.414 -3.014 1.00 62.12 H new ATOM 0 HD12 ILE A 67 5.747 -12.104 -4.744 1.00 62.12 H new ATOM 0 HD13 ILE A 67 6.328 -10.942 -3.529 1.00 62.12 H new ATOM 1008 N ILE A 68 2.650 -8.416 -7.367 1.00 35.22 N ATOM 1009 CA ILE A 68 2.640 -7.478 -8.506 1.00 2.01 C ATOM 1010 C ILE A 68 1.304 -6.703 -8.572 1.00 21.20 C ATOM 1011 O ILE A 68 1.313 -5.466 -8.598 1.00 51.33 O ATOM 1012 CB ILE A 68 2.928 -8.243 -9.862 1.00 50.44 C ATOM 1013 CG1 ILE A 68 4.402 -8.777 -9.882 1.00 2.10 C ATOM 1014 CG2 ILE A 68 2.640 -7.367 -11.108 1.00 45.41 C ATOM 1015 CD1 ILE A 68 4.765 -9.622 -11.096 1.00 45.11 C ATOM 0 H ILE A 68 2.653 -9.396 -7.650 1.00 35.22 H new ATOM 0 HA ILE A 68 3.437 -6.750 -8.356 1.00 2.01 H new ATOM 0 HB ILE A 68 2.243 -9.090 -9.910 1.00 50.44 H new ATOM 0 HG12 ILE A 68 5.081 -7.926 -9.835 1.00 2.10 H new ATOM 0 HG13 ILE A 68 4.570 -9.369 -8.983 1.00 2.10 H new ATOM 0 HG21 ILE A 68 2.853 -7.938 -12.012 1.00 45.41 H new ATOM 0 HG22 ILE A 68 1.592 -7.067 -11.107 1.00 45.41 H new ATOM 0 HG23 ILE A 68 3.272 -6.479 -11.082 1.00 45.41 H new ATOM 0 HD11 ILE A 68 5.803 -9.944 -11.018 1.00 45.11 H new ATOM 0 HD12 ILE A 68 4.116 -10.497 -11.138 1.00 45.11 H new ATOM 0 HD13 ILE A 68 4.636 -9.031 -12.003 1.00 45.11 H new ATOM 1027 N THR A 69 0.167 -7.442 -8.562 1.00 35.44 N ATOM 1028 CA THR A 69 -1.185 -6.848 -8.646 1.00 41.22 C ATOM 1029 C THR A 69 -1.439 -5.879 -7.476 1.00 21.34 C ATOM 1030 O THR A 69 -1.908 -4.758 -7.685 1.00 50.41 O ATOM 1031 CB THR A 69 -2.297 -7.950 -8.647 1.00 55.11 C ATOM 1032 OG1 THR A 69 -2.002 -8.941 -9.640 1.00 0.53 O ATOM 1033 CG2 THR A 69 -3.702 -7.370 -8.920 1.00 11.44 C ATOM 0 H THR A 69 0.164 -8.460 -8.496 1.00 35.44 H new ATOM 0 HA THR A 69 -1.230 -6.299 -9.586 1.00 41.22 H new ATOM 0 HB THR A 69 -2.304 -8.395 -7.652 1.00 55.11 H new ATOM 0 HG1 THR A 69 -1.297 -9.536 -9.309 1.00 0.53 H new ATOM 0 HG21 THR A 69 -4.436 -8.175 -8.910 1.00 11.44 H new ATOM 0 HG22 THR A 69 -3.951 -6.642 -8.148 1.00 11.44 H new ATOM 0 HG23 THR A 69 -3.711 -6.883 -9.895 1.00 11.44 H new ATOM 1041 N LEU A 70 -1.086 -6.329 -6.254 1.00 64.45 N ATOM 1042 CA LEU A 70 -1.319 -5.579 -5.008 1.00 23.03 C ATOM 1043 C LEU A 70 -0.522 -4.267 -5.015 1.00 14.53 C ATOM 1044 O LEU A 70 -1.116 -3.202 -4.923 1.00 52.23 O ATOM 1045 CB LEU A 70 -0.945 -6.459 -3.785 1.00 70.31 C ATOM 1046 CG LEU A 70 -1.213 -5.888 -2.361 1.00 42.55 C ATOM 1047 CD1 LEU A 70 -2.690 -5.490 -2.183 1.00 34.31 C ATOM 1048 CD2 LEU A 70 -0.765 -6.903 -1.281 1.00 61.32 C ATOM 0 H LEU A 70 -0.629 -7.229 -6.106 1.00 64.45 H new ATOM 0 HA LEU A 70 -2.376 -5.324 -4.936 1.00 23.03 H new ATOM 0 HB2 LEU A 70 -1.486 -7.401 -3.874 1.00 70.31 H new ATOM 0 HB3 LEU A 70 0.117 -6.694 -3.856 1.00 70.31 H new ATOM 0 HG LEU A 70 -0.622 -4.980 -2.241 1.00 42.55 H new ATOM 0 HD11 LEU A 70 -2.842 -5.096 -1.178 1.00 34.31 H new ATOM 0 HD12 LEU A 70 -2.952 -4.727 -2.916 1.00 34.31 H new ATOM 0 HD13 LEU A 70 -3.323 -6.365 -2.329 1.00 34.31 H new ATOM 0 HD21 LEU A 70 -0.958 -6.490 -0.291 1.00 61.32 H new ATOM 0 HD22 LEU A 70 -1.322 -7.832 -1.402 1.00 61.32 H new ATOM 0 HD23 LEU A 70 0.301 -7.102 -1.389 1.00 61.32 H new ATOM 1060 N LYS A 71 0.815 -4.374 -5.193 1.00 62.44 N ATOM 1061 CA LYS A 71 1.750 -3.224 -5.208 1.00 32.32 C ATOM 1062 C LYS A 71 1.331 -2.172 -6.258 1.00 24.34 C ATOM 1063 O LYS A 71 1.351 -0.971 -5.979 1.00 1.31 O ATOM 1064 CB LYS A 71 3.197 -3.760 -5.460 1.00 44.23 C ATOM 1065 CG LYS A 71 4.349 -2.705 -5.499 1.00 52.34 C ATOM 1066 CD LYS A 71 4.594 -2.057 -6.893 1.00 23.03 C ATOM 1067 CE LYS A 71 4.924 -3.088 -7.986 1.00 63.12 C ATOM 1068 NZ LYS A 71 5.250 -2.444 -9.289 1.00 64.13 N ATOM 0 H LYS A 71 1.280 -5.271 -5.332 1.00 62.44 H new ATOM 0 HA LYS A 71 1.723 -2.716 -4.244 1.00 32.32 H new ATOM 0 HB2 LYS A 71 3.429 -4.486 -4.681 1.00 44.23 H new ATOM 0 HB3 LYS A 71 3.198 -4.298 -6.408 1.00 44.23 H new ATOM 0 HG2 LYS A 71 4.124 -1.916 -4.782 1.00 52.34 H new ATOM 0 HG3 LYS A 71 5.271 -3.183 -5.169 1.00 52.34 H new ATOM 0 HD2 LYS A 71 3.707 -1.495 -7.187 1.00 23.03 H new ATOM 0 HD3 LYS A 71 5.413 -1.342 -6.816 1.00 23.03 H new ATOM 0 HE2 LYS A 71 5.767 -3.699 -7.664 1.00 63.12 H new ATOM 0 HE3 LYS A 71 4.076 -3.760 -8.117 1.00 63.12 H new ATOM 0 HZ1 LYS A 71 5.852 -3.080 -9.850 1.00 64.13 H new ATOM 0 HZ2 LYS A 71 4.371 -2.251 -9.810 1.00 64.13 H new ATOM 0 HZ3 LYS A 71 5.755 -1.551 -9.118 1.00 64.13 H new ATOM 1082 N ASN A 72 0.960 -2.652 -7.461 1.00 34.53 N ATOM 1083 CA ASN A 72 0.532 -1.794 -8.586 1.00 4.01 C ATOM 1084 C ASN A 72 -0.811 -1.112 -8.290 1.00 23.23 C ATOM 1085 O ASN A 72 -0.982 0.065 -8.589 1.00 45.53 O ATOM 1086 CB ASN A 72 0.465 -2.621 -9.910 1.00 64.32 C ATOM 1087 CG ASN A 72 1.847 -2.864 -10.538 1.00 33.21 C ATOM 1088 OD1 ASN A 72 2.736 -2.012 -10.468 1.00 52.41 O ATOM 1089 ND2 ASN A 72 2.048 -4.027 -11.137 1.00 32.41 N ATOM 0 H ASN A 72 0.948 -3.648 -7.682 1.00 34.53 H new ATOM 0 HA ASN A 72 1.275 -1.007 -8.712 1.00 4.01 H new ATOM 0 HB2 ASN A 72 -0.010 -3.581 -9.708 1.00 64.32 H new ATOM 0 HB3 ASN A 72 -0.167 -2.097 -10.627 1.00 64.32 H new ATOM 0 HD21 ASN A 72 2.955 -4.236 -11.554 1.00 32.41 H new ATOM 0 HD22 ASN A 72 1.296 -4.715 -11.181 1.00 32.41 H new ATOM 1096 N GLY A 73 -1.743 -1.855 -7.686 1.00 35.43 N ATOM 1097 CA GLY A 73 -3.064 -1.326 -7.335 1.00 14.55 C ATOM 1098 C GLY A 73 -2.992 -0.228 -6.278 1.00 1.23 C ATOM 1099 O GLY A 73 -3.665 0.806 -6.391 1.00 10.24 O ATOM 0 H GLY A 73 -1.605 -2.832 -7.428 1.00 35.43 H new ATOM 0 HA2 GLY A 73 -3.544 -0.932 -8.231 1.00 14.55 H new ATOM 0 HA3 GLY A 73 -3.691 -2.138 -6.968 1.00 14.55 H new ATOM 1103 N ILE A 74 -2.136 -0.458 -5.268 1.00 24.54 N ATOM 1104 CA ILE A 74 -1.836 0.506 -4.199 1.00 15.15 C ATOM 1105 C ILE A 74 -1.163 1.759 -4.795 1.00 13.45 C ATOM 1106 O ILE A 74 -1.481 2.880 -4.410 1.00 35.53 O ATOM 1107 CB ILE A 74 -0.894 -0.147 -3.112 1.00 5.04 C ATOM 1108 CG1 ILE A 74 -1.574 -1.390 -2.454 1.00 11.14 C ATOM 1109 CG2 ILE A 74 -0.470 0.877 -2.036 1.00 73.50 C ATOM 1110 CD1 ILE A 74 -0.680 -2.196 -1.518 1.00 34.53 C ATOM 0 H ILE A 74 -1.625 -1.335 -5.171 1.00 24.54 H new ATOM 0 HA ILE A 74 -2.771 0.795 -3.719 1.00 15.15 H new ATOM 0 HB ILE A 74 0.008 -0.481 -3.624 1.00 5.04 H new ATOM 0 HG12 ILE A 74 -2.448 -1.054 -1.896 1.00 11.14 H new ATOM 0 HG13 ILE A 74 -1.934 -2.049 -3.244 1.00 11.14 H new ATOM 0 HG21 ILE A 74 0.177 0.391 -1.306 1.00 73.50 H new ATOM 0 HG22 ILE A 74 0.069 1.699 -2.508 1.00 73.50 H new ATOM 0 HG23 ILE A 74 -1.356 1.265 -1.534 1.00 73.50 H new ATOM 0 HD11 ILE A 74 -1.242 -3.037 -1.112 1.00 34.53 H new ATOM 0 HD12 ILE A 74 0.182 -2.569 -2.070 1.00 34.53 H new ATOM 0 HD13 ILE A 74 -0.340 -1.559 -0.702 1.00 34.53 H new ATOM 1122 N GLN A 75 -0.244 1.529 -5.749 1.00 41.52 N ATOM 1123 CA GLN A 75 0.522 2.589 -6.423 1.00 54.24 C ATOM 1124 C GLN A 75 -0.415 3.530 -7.196 1.00 2.14 C ATOM 1125 O GLN A 75 -0.437 4.720 -6.919 1.00 15.32 O ATOM 1126 CB GLN A 75 1.581 1.952 -7.355 1.00 61.45 C ATOM 1127 CG GLN A 75 2.571 2.945 -8.000 1.00 5.04 C ATOM 1128 CD GLN A 75 3.666 2.272 -8.832 1.00 30.05 C ATOM 1129 OE1 GLN A 75 4.157 2.834 -9.809 1.00 34.45 O ATOM 1130 NE2 GLN A 75 4.087 1.075 -8.436 1.00 42.45 N ATOM 0 H GLN A 75 -0.011 0.592 -6.076 1.00 41.52 H new ATOM 0 HA GLN A 75 1.038 3.190 -5.674 1.00 54.24 H new ATOM 0 HB2 GLN A 75 2.149 1.217 -6.785 1.00 61.45 H new ATOM 0 HB3 GLN A 75 1.065 1.411 -8.148 1.00 61.45 H new ATOM 0 HG2 GLN A 75 2.017 3.635 -8.636 1.00 5.04 H new ATOM 0 HG3 GLN A 75 3.038 3.540 -7.215 1.00 5.04 H new ATOM 0 HE21 GLN A 75 3.664 0.629 -7.622 1.00 42.45 H new ATOM 0 HE22 GLN A 75 4.833 0.602 -8.946 1.00 42.45 H new ATOM 1139 N ASN A 76 -1.227 2.968 -8.112 1.00 62.10 N ATOM 1140 CA ASN A 76 -2.179 3.744 -8.942 1.00 72.31 C ATOM 1141 C ASN A 76 -3.283 4.407 -8.086 1.00 12.11 C ATOM 1142 O ASN A 76 -3.851 5.422 -8.495 1.00 14.23 O ATOM 1143 CB ASN A 76 -2.810 2.858 -10.059 1.00 41.04 C ATOM 1144 CG ASN A 76 -1.831 2.522 -11.197 1.00 75.31 C ATOM 1145 OD1 ASN A 76 -1.674 3.291 -12.144 1.00 51.43 O ATOM 1146 ND2 ASN A 76 -1.199 1.366 -11.140 1.00 70.14 N ATOM 0 H ASN A 76 -1.244 1.966 -8.300 1.00 62.10 H new ATOM 0 HA ASN A 76 -1.607 4.540 -9.419 1.00 72.31 H new ATOM 0 HB2 ASN A 76 -3.172 1.931 -9.616 1.00 41.04 H new ATOM 0 HB3 ASN A 76 -3.676 3.372 -10.475 1.00 41.04 H new ATOM 0 HD21 ASN A 76 -0.565 1.094 -11.891 1.00 70.14 H new ATOM 0 HD22 ASN A 76 -1.344 0.744 -10.345 1.00 70.14 H new ATOM 1153 N MET A 77 -3.595 3.816 -6.909 1.00 11.14 N ATOM 1154 CA MET A 77 -4.544 4.416 -5.948 1.00 51.04 C ATOM 1155 C MET A 77 -3.933 5.682 -5.326 1.00 72.42 C ATOM 1156 O MET A 77 -4.462 6.778 -5.496 1.00 63.20 O ATOM 1157 CB MET A 77 -4.916 3.412 -4.824 1.00 12.30 C ATOM 1158 CG MET A 77 -6.010 3.909 -3.858 1.00 15.01 C ATOM 1159 SD MET A 77 -6.139 2.894 -2.371 1.00 24.13 S ATOM 1160 CE MET A 77 -4.593 3.276 -1.543 1.00 32.13 C ATOM 0 H MET A 77 -3.203 2.925 -6.604 1.00 11.14 H new ATOM 0 HA MET A 77 -5.452 4.676 -6.491 1.00 51.04 H new ATOM 0 HB2 MET A 77 -5.249 2.481 -5.282 1.00 12.30 H new ATOM 0 HB3 MET A 77 -4.019 3.181 -4.249 1.00 12.30 H new ATOM 0 HG2 MET A 77 -5.796 4.939 -3.573 1.00 15.01 H new ATOM 0 HG3 MET A 77 -6.970 3.914 -4.374 1.00 15.01 H new ATOM 0 HE1 MET A 77 -4.686 3.057 -0.479 1.00 32.13 H new ATOM 0 HE2 MET A 77 -3.793 2.671 -1.969 1.00 32.13 H new ATOM 0 HE3 MET A 77 -4.360 4.332 -1.677 1.00 32.13 H new ATOM 1170 N LEU A 78 -2.789 5.502 -4.640 1.00 55.25 N ATOM 1171 CA LEU A 78 -2.102 6.572 -3.896 1.00 33.41 C ATOM 1172 C LEU A 78 -1.682 7.724 -4.822 1.00 35.23 C ATOM 1173 O LEU A 78 -1.838 8.864 -4.448 1.00 72.21 O ATOM 1174 CB LEU A 78 -0.872 5.999 -3.140 1.00 55.20 C ATOM 1175 CG LEU A 78 -1.187 5.030 -1.959 1.00 63.04 C ATOM 1176 CD1 LEU A 78 0.097 4.393 -1.408 1.00 60.25 C ATOM 1177 CD2 LEU A 78 -1.973 5.745 -0.840 1.00 14.44 C ATOM 0 H LEU A 78 -2.312 4.602 -4.587 1.00 55.25 H new ATOM 0 HA LEU A 78 -2.804 6.977 -3.168 1.00 33.41 H new ATOM 0 HB2 LEU A 78 -0.242 5.473 -3.857 1.00 55.20 H new ATOM 0 HB3 LEU A 78 -0.287 6.833 -2.753 1.00 55.20 H new ATOM 0 HG LEU A 78 -1.818 4.231 -2.349 1.00 63.04 H new ATOM 0 HD11 LEU A 78 -0.153 3.723 -0.586 1.00 60.25 H new ATOM 0 HD12 LEU A 78 0.592 3.829 -2.199 1.00 60.25 H new ATOM 0 HD13 LEU A 78 0.765 5.175 -1.048 1.00 60.25 H new ATOM 0 HD21 LEU A 78 -2.177 5.042 -0.032 1.00 14.44 H new ATOM 0 HD22 LEU A 78 -1.384 6.578 -0.456 1.00 14.44 H new ATOM 0 HD23 LEU A 78 -2.915 6.121 -1.240 1.00 14.44 H new ATOM 1189 N GLN A 79 -1.200 7.401 -6.037 1.00 43.03 N ATOM 1190 CA GLN A 79 -0.755 8.406 -7.030 1.00 53.44 C ATOM 1191 C GLN A 79 -1.927 9.271 -7.538 1.00 42.42 C ATOM 1192 O GLN A 79 -1.743 10.466 -7.811 1.00 23.43 O ATOM 1193 CB GLN A 79 -0.034 7.724 -8.223 1.00 4.54 C ATOM 1194 CG GLN A 79 1.352 7.149 -7.878 1.00 22.55 C ATOM 1195 CD GLN A 79 2.075 6.530 -9.074 1.00 20.41 C ATOM 1196 OE1 GLN A 79 1.452 5.970 -9.974 1.00 61.22 O ATOM 1197 NE2 GLN A 79 3.391 6.654 -9.104 1.00 11.50 N ATOM 0 H GLN A 79 -1.107 6.438 -6.361 1.00 43.03 H new ATOM 0 HA GLN A 79 -0.050 9.066 -6.524 1.00 53.44 H new ATOM 0 HB2 GLN A 79 -0.664 6.920 -8.602 1.00 4.54 H new ATOM 0 HB3 GLN A 79 0.076 8.449 -9.029 1.00 4.54 H new ATOM 0 HG2 GLN A 79 1.972 7.943 -7.461 1.00 22.55 H new ATOM 0 HG3 GLN A 79 1.239 6.392 -7.102 1.00 22.55 H new ATOM 0 HE21 GLN A 79 3.876 7.125 -8.340 1.00 11.50 H new ATOM 0 HE22 GLN A 79 3.921 6.279 -9.891 1.00 11.50 H new ATOM 1206 N PHE A 80 -3.124 8.656 -7.646 1.00 12.14 N ATOM 1207 CA PHE A 80 -4.354 9.332 -8.111 1.00 5.34 C ATOM 1208 C PHE A 80 -4.745 10.481 -7.149 1.00 45.25 C ATOM 1209 O PHE A 80 -5.265 11.513 -7.575 1.00 11.23 O ATOM 1210 CB PHE A 80 -5.503 8.288 -8.225 1.00 11.31 C ATOM 1211 CG PHE A 80 -6.804 8.795 -8.862 1.00 24.23 C ATOM 1212 CD1 PHE A 80 -6.978 8.766 -10.249 1.00 64.54 C ATOM 1213 CD2 PHE A 80 -7.856 9.285 -8.080 1.00 51.10 C ATOM 1214 CE1 PHE A 80 -8.154 9.211 -10.828 1.00 10.12 C ATOM 1215 CE2 PHE A 80 -9.028 9.731 -8.662 1.00 22.03 C ATOM 1216 CZ PHE A 80 -9.178 9.692 -10.034 1.00 30.32 C ATOM 0 H PHE A 80 -3.265 7.673 -7.412 1.00 12.14 H new ATOM 0 HA PHE A 80 -4.173 9.771 -9.092 1.00 5.34 H new ATOM 0 HB2 PHE A 80 -5.142 7.440 -8.807 1.00 11.31 H new ATOM 0 HB3 PHE A 80 -5.731 7.915 -7.226 1.00 11.31 H new ATOM 0 HD1 PHE A 80 -6.184 8.391 -10.877 1.00 64.54 H new ATOM 0 HD2 PHE A 80 -7.751 9.315 -7.006 1.00 51.10 H new ATOM 0 HE1 PHE A 80 -8.271 9.182 -11.901 1.00 10.12 H new ATOM 0 HE2 PHE A 80 -9.827 10.110 -8.043 1.00 22.03 H new ATOM 0 HZ PHE A 80 -10.096 10.037 -10.487 1.00 30.32 H new ATOM 1226 N TYR A 81 -4.471 10.284 -5.848 1.00 34.33 N ATOM 1227 CA TYR A 81 -4.806 11.259 -4.784 1.00 61.34 C ATOM 1228 C TYR A 81 -3.576 12.080 -4.349 1.00 43.44 C ATOM 1229 O TYR A 81 -3.712 13.214 -3.877 1.00 72.44 O ATOM 1230 CB TYR A 81 -5.405 10.501 -3.566 1.00 73.44 C ATOM 1231 CG TYR A 81 -6.732 9.799 -3.890 1.00 5.23 C ATOM 1232 CD1 TYR A 81 -7.948 10.469 -3.763 1.00 54.15 C ATOM 1233 CD2 TYR A 81 -6.770 8.482 -4.351 1.00 72.32 C ATOM 1234 CE1 TYR A 81 -9.136 9.858 -4.094 1.00 22.14 C ATOM 1235 CE2 TYR A 81 -7.960 7.866 -4.677 1.00 42.41 C ATOM 1236 CZ TYR A 81 -9.140 8.561 -4.547 1.00 52.11 C ATOM 1237 OH TYR A 81 -10.338 7.958 -4.875 1.00 45.41 O ATOM 0 H TYR A 81 -4.010 9.444 -5.499 1.00 34.33 H new ATOM 0 HA TYR A 81 -5.538 11.962 -5.182 1.00 61.34 H new ATOM 0 HB2 TYR A 81 -4.685 9.761 -3.215 1.00 73.44 H new ATOM 0 HB3 TYR A 81 -5.563 11.205 -2.749 1.00 73.44 H new ATOM 0 HD1 TYR A 81 -7.958 11.486 -3.398 1.00 54.15 H new ATOM 0 HD2 TYR A 81 -5.846 7.933 -4.455 1.00 72.32 H new ATOM 0 HE1 TYR A 81 -10.066 10.399 -3.998 1.00 22.14 H new ATOM 0 HE2 TYR A 81 -7.965 6.846 -5.032 1.00 42.41 H new ATOM 0 HH TYR A 81 -10.267 7.551 -5.764 1.00 45.41 H new ATOM 1247 N ILE A 82 -2.380 11.493 -4.520 1.00 25.42 N ATOM 1248 CA ILE A 82 -1.111 11.989 -3.934 1.00 31.21 C ATOM 1249 C ILE A 82 0.003 11.908 -5.004 1.00 11.13 C ATOM 1250 O ILE A 82 0.550 10.823 -5.244 1.00 34.15 O ATOM 1251 CB ILE A 82 -0.693 11.133 -2.663 1.00 45.22 C ATOM 1252 CG1 ILE A 82 -1.830 11.114 -1.592 1.00 54.42 C ATOM 1253 CG2 ILE A 82 0.641 11.628 -2.054 1.00 43.14 C ATOM 1254 CD1 ILE A 82 -1.595 10.175 -0.430 1.00 42.33 C ATOM 0 H ILE A 82 -2.259 10.647 -5.077 1.00 25.42 H new ATOM 0 HA ILE A 82 -1.253 13.021 -3.614 1.00 31.21 H new ATOM 0 HB ILE A 82 -0.537 10.108 -3.001 1.00 45.22 H new ATOM 0 HG12 ILE A 82 -1.960 12.124 -1.203 1.00 54.42 H new ATOM 0 HG13 ILE A 82 -2.764 10.838 -2.080 1.00 54.42 H new ATOM 0 HG21 ILE A 82 0.894 11.018 -1.187 1.00 43.14 H new ATOM 0 HG22 ILE A 82 1.433 11.546 -2.798 1.00 43.14 H new ATOM 0 HG23 ILE A 82 0.537 12.669 -1.747 1.00 43.14 H new ATOM 0 HD11 ILE A 82 -2.437 10.232 0.260 1.00 42.33 H new ATOM 0 HD12 ILE A 82 -1.498 9.155 -0.801 1.00 42.33 H new ATOM 0 HD13 ILE A 82 -0.681 10.461 0.090 1.00 42.33 H new ATOM 1266 N PRO A 83 0.338 13.047 -5.687 1.00 43.33 N ATOM 1267 CA PRO A 83 1.417 13.085 -6.716 1.00 62.34 C ATOM 1268 C PRO A 83 2.835 12.919 -6.119 1.00 54.14 C ATOM 1269 O PRO A 83 3.800 12.719 -6.868 1.00 42.31 O ATOM 1270 CB PRO A 83 1.216 14.474 -7.387 1.00 11.21 C ATOM 1271 CG PRO A 83 0.563 15.321 -6.331 1.00 4.13 C ATOM 1272 CD PRO A 83 -0.324 14.378 -5.536 1.00 65.25 C ATOM 0 HA PRO A 83 1.347 12.255 -7.419 1.00 62.34 H new ATOM 0 HB2 PRO A 83 2.167 14.901 -7.704 1.00 11.21 H new ATOM 0 HB3 PRO A 83 0.589 14.397 -8.275 1.00 11.21 H new ATOM 0 HG2 PRO A 83 1.309 15.791 -5.690 1.00 4.13 H new ATOM 0 HG3 PRO A 83 -0.022 16.124 -6.780 1.00 4.13 H new ATOM 0 HD2 PRO A 83 -0.387 14.676 -4.489 1.00 65.25 H new ATOM 0 HD3 PRO A 83 -1.342 14.364 -5.925 1.00 65.25 H new ATOM 1280 N GLU A 84 2.943 12.990 -4.774 1.00 44.22 N ATOM 1281 CA GLU A 84 4.209 12.755 -4.047 1.00 22.20 C ATOM 1282 C GLU A 84 4.665 11.291 -4.196 1.00 2.31 C ATOM 1283 O GLU A 84 5.869 11.017 -4.264 1.00 54.30 O ATOM 1284 CB GLU A 84 4.074 13.110 -2.533 1.00 24.55 C ATOM 1285 CG GLU A 84 3.862 14.611 -2.199 1.00 20.24 C ATOM 1286 CD GLU A 84 2.520 15.190 -2.668 1.00 61.10 C ATOM 1287 OE1 GLU A 84 1.473 14.815 -2.100 1.00 41.04 O ATOM 1288 OE2 GLU A 84 2.493 16.006 -3.609 1.00 25.32 O ATOM 0 H GLU A 84 2.157 13.211 -4.163 1.00 44.22 H new ATOM 0 HA GLU A 84 4.960 13.410 -4.490 1.00 22.20 H new ATOM 0 HB2 GLU A 84 3.237 12.546 -2.122 1.00 24.55 H new ATOM 0 HB3 GLU A 84 4.972 12.768 -2.019 1.00 24.55 H new ATOM 0 HG2 GLU A 84 3.942 14.744 -1.120 1.00 20.24 H new ATOM 0 HG3 GLU A 84 4.669 15.187 -2.652 1.00 20.24 H new ATOM 1295 N VAL A 85 3.687 10.363 -4.222 1.00 43.40 N ATOM 1296 CA VAL A 85 3.946 8.929 -4.414 1.00 14.11 C ATOM 1297 C VAL A 85 4.445 8.676 -5.854 1.00 51.23 C ATOM 1298 O VAL A 85 3.751 8.981 -6.825 1.00 2.14 O ATOM 1299 CB VAL A 85 2.659 8.067 -4.119 1.00 25.41 C ATOM 1300 CG1 VAL A 85 2.892 6.558 -4.406 1.00 64.43 C ATOM 1301 CG2 VAL A 85 2.176 8.277 -2.662 1.00 54.40 C ATOM 0 H VAL A 85 2.699 10.590 -4.110 1.00 43.40 H new ATOM 0 HA VAL A 85 4.717 8.624 -3.706 1.00 14.11 H new ATOM 0 HB VAL A 85 1.878 8.412 -4.797 1.00 25.41 H new ATOM 0 HG11 VAL A 85 1.980 6.001 -4.189 1.00 64.43 H new ATOM 0 HG12 VAL A 85 3.159 6.424 -5.454 1.00 64.43 H new ATOM 0 HG13 VAL A 85 3.701 6.188 -3.776 1.00 64.43 H new ATOM 0 HG21 VAL A 85 1.287 7.672 -2.483 1.00 54.40 H new ATOM 0 HG22 VAL A 85 2.964 7.978 -1.971 1.00 54.40 H new ATOM 0 HG23 VAL A 85 1.937 9.329 -2.506 1.00 54.40 H new ATOM 1311 N GLU A 86 5.680 8.182 -5.956 1.00 40.53 N ATOM 1312 CA GLU A 86 6.322 7.793 -7.225 1.00 1.23 C ATOM 1313 C GLU A 86 6.209 6.273 -7.442 1.00 72.11 C ATOM 1314 O GLU A 86 6.191 5.795 -8.586 1.00 74.34 O ATOM 1315 CB GLU A 86 7.808 8.234 -7.211 1.00 13.13 C ATOM 1316 CG GLU A 86 8.008 9.745 -6.987 1.00 43.32 C ATOM 1317 CD GLU A 86 9.484 10.159 -6.967 1.00 53.52 C ATOM 1318 OE1 GLU A 86 10.097 10.142 -5.885 1.00 24.34 O ATOM 1319 OE2 GLU A 86 10.040 10.483 -8.032 1.00 21.02 O ATOM 0 H GLU A 86 6.280 8.036 -5.144 1.00 40.53 H new ATOM 0 HA GLU A 86 5.813 8.290 -8.050 1.00 1.23 H new ATOM 0 HB2 GLU A 86 8.332 7.688 -6.426 1.00 13.13 H new ATOM 0 HB3 GLU A 86 8.269 7.953 -8.158 1.00 13.13 H new ATOM 0 HG2 GLU A 86 7.493 10.294 -7.775 1.00 43.32 H new ATOM 0 HG3 GLU A 86 7.544 10.031 -6.043 1.00 43.32 H new ATOM 1326 N GLY A 87 6.123 5.525 -6.331 1.00 72.25 N ATOM 1327 CA GLY A 87 6.040 4.066 -6.373 1.00 40.54 C ATOM 1328 C GLY A 87 5.776 3.458 -5.005 1.00 4.15 C ATOM 1329 O GLY A 87 5.622 4.179 -4.017 1.00 61.32 O ATOM 0 H GLY A 87 6.109 5.915 -5.389 1.00 72.25 H new ATOM 0 HA2 GLY A 87 5.245 3.770 -7.058 1.00 40.54 H new ATOM 0 HA3 GLY A 87 6.971 3.664 -6.772 1.00 40.54 H new ATOM 1333 N VAL A 88 5.705 2.116 -4.964 1.00 3.24 N ATOM 1334 CA VAL A 88 5.492 1.324 -3.730 1.00 54.44 C ATOM 1335 C VAL A 88 6.544 0.189 -3.693 1.00 10.11 C ATOM 1336 O VAL A 88 6.834 -0.419 -4.730 1.00 53.01 O ATOM 1337 CB VAL A 88 4.019 0.726 -3.676 1.00 10.40 C ATOM 1338 CG1 VAL A 88 3.808 -0.226 -2.472 1.00 33.55 C ATOM 1339 CG2 VAL A 88 2.957 1.855 -3.660 1.00 31.44 C ATOM 0 H VAL A 88 5.795 1.537 -5.799 1.00 3.24 H new ATOM 0 HA VAL A 88 5.607 1.970 -2.859 1.00 54.44 H new ATOM 0 HB VAL A 88 3.893 0.136 -4.584 1.00 10.40 H new ATOM 0 HG11 VAL A 88 2.786 -0.606 -2.483 1.00 33.55 H new ATOM 0 HG12 VAL A 88 4.506 -1.060 -2.541 1.00 33.55 H new ATOM 0 HG13 VAL A 88 3.983 0.317 -1.543 1.00 33.55 H new ATOM 0 HG21 VAL A 88 1.960 1.416 -3.623 1.00 31.44 H new ATOM 0 HG22 VAL A 88 3.109 2.485 -2.784 1.00 31.44 H new ATOM 0 HG23 VAL A 88 3.054 2.459 -4.562 1.00 31.44 H new ATOM 1349 N GLU A 89 7.128 -0.080 -2.508 1.00 14.42 N ATOM 1350 CA GLU A 89 8.121 -1.160 -2.308 1.00 42.03 C ATOM 1351 C GLU A 89 7.628 -2.126 -1.225 1.00 62.25 C ATOM 1352 O GLU A 89 7.038 -1.707 -0.229 1.00 41.42 O ATOM 1353 CB GLU A 89 9.506 -0.576 -1.911 1.00 12.13 C ATOM 1354 CG GLU A 89 10.635 -1.618 -1.724 1.00 62.41 C ATOM 1355 CD GLU A 89 12.000 -0.982 -1.410 1.00 64.21 C ATOM 1356 OE1 GLU A 89 12.238 -0.610 -0.238 1.00 21.10 O ATOM 1357 OE2 GLU A 89 12.832 -0.834 -2.334 1.00 52.30 O ATOM 0 H GLU A 89 6.925 0.446 -1.658 1.00 14.42 H new ATOM 0 HA GLU A 89 8.236 -1.700 -3.248 1.00 42.03 H new ATOM 0 HB2 GLU A 89 9.814 0.136 -2.677 1.00 12.13 H new ATOM 0 HB3 GLU A 89 9.393 -0.017 -0.982 1.00 12.13 H new ATOM 0 HG2 GLU A 89 10.363 -2.297 -0.916 1.00 62.41 H new ATOM 0 HG3 GLU A 89 10.721 -2.218 -2.630 1.00 62.41 H new ATOM 1364 N GLN A 90 7.882 -3.419 -1.446 1.00 73.13 N ATOM 1365 CA GLN A 90 7.607 -4.477 -0.475 1.00 12.03 C ATOM 1366 C GLN A 90 8.800 -4.598 0.492 1.00 43.34 C ATOM 1367 O GLN A 90 9.908 -4.951 0.075 1.00 11.24 O ATOM 1368 CB GLN A 90 7.380 -5.819 -1.226 1.00 4.54 C ATOM 1369 CG GLN A 90 7.262 -7.063 -0.317 1.00 22.04 C ATOM 1370 CD GLN A 90 7.128 -8.374 -1.091 1.00 72.33 C ATOM 1371 OE1 GLN A 90 7.633 -8.514 -2.206 1.00 2.12 O ATOM 1372 NE2 GLN A 90 6.474 -9.358 -0.499 1.00 74.40 N ATOM 0 H GLN A 90 8.289 -3.763 -2.316 1.00 73.13 H new ATOM 0 HA GLN A 90 6.710 -4.237 0.096 1.00 12.03 H new ATOM 0 HB2 GLN A 90 6.471 -5.735 -1.822 1.00 4.54 H new ATOM 0 HB3 GLN A 90 8.205 -5.973 -1.922 1.00 4.54 H new ATOM 0 HG2 GLN A 90 8.141 -7.118 0.326 1.00 22.04 H new ATOM 0 HG3 GLN A 90 6.397 -6.946 0.335 1.00 22.04 H new ATOM 0 HE21 GLN A 90 6.065 -9.216 0.425 1.00 74.40 H new ATOM 0 HE22 GLN A 90 6.378 -10.260 -0.966 1.00 74.40 H new ATOM 1381 N VAL A 91 8.577 -4.248 1.765 1.00 62.41 N ATOM 1382 CA VAL A 91 9.547 -4.475 2.852 1.00 60.55 C ATOM 1383 C VAL A 91 8.927 -5.443 3.881 1.00 24.11 C ATOM 1384 O VAL A 91 7.996 -5.093 4.604 1.00 24.41 O ATOM 1385 CB VAL A 91 9.981 -3.117 3.541 1.00 43.53 C ATOM 1386 CG1 VAL A 91 10.921 -2.298 2.625 1.00 25.40 C ATOM 1387 CG2 VAL A 91 8.761 -2.261 3.954 1.00 54.51 C ATOM 0 H VAL A 91 7.716 -3.797 2.075 1.00 62.41 H new ATOM 0 HA VAL A 91 10.451 -4.917 2.432 1.00 60.55 H new ATOM 0 HB VAL A 91 10.524 -3.386 4.447 1.00 43.53 H new ATOM 0 HG11 VAL A 91 11.201 -1.372 3.126 1.00 25.40 H new ATOM 0 HG12 VAL A 91 11.817 -2.880 2.410 1.00 25.40 H new ATOM 0 HG13 VAL A 91 10.408 -2.065 1.692 1.00 25.40 H new ATOM 0 HG21 VAL A 91 9.105 -1.339 4.423 1.00 54.51 H new ATOM 0 HG22 VAL A 91 8.170 -2.020 3.071 1.00 54.51 H new ATOM 0 HG23 VAL A 91 8.147 -2.820 4.660 1.00 54.51 H new