USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 481 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 870 CYS SG : rot -164:sc= 2.26 USER MOD Set 1.2: A 873 CYS SG : rot -69:sc= -2.07! USER MOD Set 1.3: A 882 MET CE :methyl -126:sc= 0 (180deg=-0.0871) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -2.32 K(o=-5.3,f=-10!) USER MOD Set 1.5: A 896 CYS SG : rot -147:sc= -3.17! USER MOD Set 2.1: A 885 CYS SG : rot 159:sc= 0.272! USER MOD Set 2.2: A 888 CYS SG : rot -47:sc= 0.516 USER MOD Set 2.3: A 892 TYR OH : rot 69:sc= 1.37 USER MOD Set 2.4: A 911 CYS SG : rot -126:sc= 0.299! USER MOD Set 2.5: A 914 CYS SG : rot 131:sc= 0.469 USER MOD Set 2.6: A 917 LYS NZ :NH3+ -157:sc= 2.5 (180deg=0.926) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN :FLIP amide:sc= -0.728 F(o=-1.4!,f=-0.73) USER MOD Single : A 866 GLN :FLIP amide:sc= -0.103 F(o=-2.4!,f=-0.1) USER MOD Single : A 874 ASN :FLIP amide:sc= -0.0012 F(o=-1.6!,f=-0.0012) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 913 LYS NZ :NH3+ 158:sc= -0.101 (180deg=-0.532) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : P 1 ALA N :NH3+ -149:sc= 1.54 (180deg=0.849) USER MOD Single : P 3 THR OG1 : rot 120:sc= -0.0292 USER MOD Single : P 5 GLN :FLIP amide:sc= -0.168 F(o=-0.69,f=-0.17) USER MOD Single : P 6 THR OG1 : rot 107:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.509 5.938 4.598 1.00 0.00 N ATOM 2 CA ALA P 1 12.717 5.673 3.416 1.00 0.00 C ATOM 3 C ALA P 1 11.503 4.933 3.852 1.00 0.00 C ATOM 4 O ALA P 1 11.602 3.833 4.371 1.00 0.00 O ATOM 5 CB ALA P 1 13.494 4.834 2.411 1.00 0.00 C ATOM 0 H1 ALA P 1 14.030 6.829 4.474 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.883 6.015 5.425 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.183 5.160 4.746 1.00 0.00 H new ATOM 0 HA ALA P 1 12.455 6.612 2.928 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.874 4.651 1.533 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.397 5.367 2.113 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.768 3.882 2.866 1.00 0.00 H new ATOM 13 N ARG P 2 10.369 5.531 3.693 1.00 0.00 N ATOM 14 CA ARG P 2 9.158 4.899 4.130 1.00 0.00 C ATOM 15 C ARG P 2 8.415 4.421 2.907 1.00 0.00 C ATOM 16 O ARG P 2 8.211 5.191 1.992 1.00 0.00 O ATOM 17 CB ARG P 2 8.305 5.895 4.882 1.00 0.00 C ATOM 18 CG ARG P 2 7.481 5.272 5.968 1.00 0.00 C ATOM 19 CD ARG P 2 6.530 6.266 6.578 1.00 0.00 C ATOM 20 NE ARG P 2 7.172 7.524 7.016 1.00 0.00 N ATOM 21 CZ ARG P 2 6.914 8.125 8.186 1.00 0.00 C ATOM 22 NH1 ARG P 2 6.286 7.450 9.158 1.00 0.00 N ATOM 23 NH2 ARG P 2 7.311 9.385 8.405 1.00 0.00 N ATOM 0 H ARG P 2 10.250 6.450 3.267 1.00 0.00 H new ATOM 0 HA ARG P 2 9.385 4.062 4.791 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.950 6.658 5.318 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.643 6.400 4.178 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.919 4.431 5.562 1.00 0.00 H new ATOM 0 HG3 ARG P 2 8.138 4.873 6.741 1.00 0.00 H new ATOM 0 HD2 ARG P 2 5.752 6.501 5.852 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.038 5.804 7.434 1.00 0.00 H new ATOM 0 HE ARG P 2 7.851 7.960 6.391 1.00 0.00 H new ATOM 0 HH11 ARG P 2 6.005 6.481 9.007 1.00 0.00 H new ATOM 0 HH12 ARG P 2 6.088 7.905 10.049 1.00 0.00 H new ATOM 0 HH21 ARG P 2 7.814 9.895 7.679 1.00 0.00 H new ATOM 0 HH22 ARG P 2 7.111 9.835 9.298 1.00 0.00 H new ATOM 37 N THR P 3 8.050 3.178 2.860 1.00 0.00 N ATOM 38 CA THR P 3 7.354 2.659 1.710 1.00 0.00 C ATOM 39 C THR P 3 6.018 2.033 2.101 1.00 0.00 C ATOM 40 O THR P 3 5.938 1.298 3.082 1.00 0.00 O ATOM 41 CB THR P 3 8.234 1.623 0.987 1.00 0.00 C ATOM 42 OG1 THR P 3 8.699 0.657 1.938 1.00 0.00 O ATOM 43 CG2 THR P 3 9.433 2.290 0.325 1.00 0.00 C ATOM 0 H THR P 3 8.219 2.498 3.602 1.00 0.00 H new ATOM 0 HA THR P 3 7.148 3.491 1.037 1.00 0.00 H new ATOM 0 HB THR P 3 7.637 1.140 0.214 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.385 -0.234 1.679 1.00 0.00 H new ATOM 0 HG21 THR P 3 10.037 1.535 -0.178 1.00 0.00 H new ATOM 0 HG22 THR P 3 9.086 3.022 -0.404 1.00 0.00 H new ATOM 0 HG23 THR P 3 10.035 2.791 1.083 1.00 0.00 H new ATOM 82 N GLN P 5 1.909 0.993 0.136 1.00 0.00 N ATOM 83 CA GLN P 5 1.102 0.958 -1.063 1.00 0.00 C ATOM 84 C GLN P 5 -0.355 1.252 -0.729 1.00 0.00 C ATOM 85 O GLN P 5 -0.947 0.606 0.144 1.00 0.00 O ATOM 86 CB GLN P 5 1.253 -0.414 -1.734 1.00 0.00 C ATOM 87 CG GLN P 5 0.491 -0.560 -3.033 1.00 0.00 C ATOM 88 CD GLN P 5 0.698 -1.893 -3.723 1.00 0.00 C ATOM 89 OE1 GLN P 5 0.989 -2.913 -2.978 1.00 0.00 O flip ATOM 90 NE2 GLN P 5 0.606 -1.988 -4.948 1.00 0.00 N flip ATOM 0 HA GLN P 5 1.442 1.726 -1.757 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.310 -0.598 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN P 5 0.915 -1.184 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.573 -0.426 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN P 5 0.792 0.239 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN P 5 0.375 -1.167 -5.507 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.760 -2.888 -5.403 1.00 0.00 H new ATOM 99 N THR P 6 -0.937 2.205 -1.429 1.00 0.00 N ATOM 100 CA THR P 6 -2.310 2.632 -1.168 1.00 0.00 C ATOM 101 C THR P 6 -3.293 1.848 -2.057 1.00 0.00 C ATOM 102 O THR P 6 -4.317 2.364 -2.516 1.00 0.00 O ATOM 103 CB THR P 6 -2.440 4.133 -1.455 1.00 0.00 C ATOM 104 OG1 THR P 6 -1.164 4.769 -1.227 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.485 4.767 -0.542 1.00 0.00 C ATOM 0 H THR P 6 -0.481 2.707 -2.191 1.00 0.00 H new ATOM 0 HA THR P 6 -2.550 2.435 -0.123 1.00 0.00 H new ATOM 0 HB THR P 6 -2.751 4.268 -2.491 1.00 0.00 H new ATOM 0 HG1 THR P 6 -0.760 5.010 -2.087 1.00 0.00 H new ATOM 0 HG21 THR P 6 -3.562 5.832 -0.762 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.451 4.291 -0.710 1.00 0.00 H new ATOM 0 HG23 THR P 6 -3.189 4.631 0.498 1.00 0.00 H new ATOM 301 N TYR A 857 1.099 18.592 -1.469 1.00 0.00 N ATOM 302 CA TYR A 857 0.860 17.388 -2.220 1.00 0.00 C ATOM 303 C TYR A 857 -0.061 16.443 -1.472 1.00 0.00 C ATOM 304 O TYR A 857 -0.132 15.263 -1.736 1.00 0.00 O ATOM 305 CB TYR A 857 2.160 16.730 -2.619 1.00 0.00 C ATOM 306 CG TYR A 857 2.934 17.504 -3.688 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.715 17.274 -5.036 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.867 18.470 -3.343 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.396 17.974 -6.009 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.556 19.184 -4.310 1.00 0.00 C ATOM 311 CZ TYR A 857 4.316 18.930 -5.642 1.00 0.00 C ATOM 312 OH TYR A 857 4.994 19.636 -6.611 1.00 0.00 O ATOM 0 HA TYR A 857 0.345 17.660 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.788 16.620 -1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.951 15.726 -2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.993 16.528 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.061 18.670 -2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 857 3.209 17.773 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.277 19.935 -4.021 1.00 0.00 H new ATOM 0 HH TYR A 857 5.605 20.273 -6.185 1.00 0.00 H new ATOM 322 N VAL A 858 -0.760 16.999 -0.551 1.00 0.00 N ATOM 323 CA VAL A 858 -1.809 16.320 0.168 1.00 0.00 C ATOM 324 C VAL A 858 -3.102 17.076 -0.076 1.00 0.00 C ATOM 325 O VAL A 858 -3.201 18.275 0.229 1.00 0.00 O ATOM 326 CB VAL A 858 -1.567 16.242 1.702 1.00 0.00 C ATOM 327 CG1 VAL A 858 -2.710 15.503 2.385 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.257 15.561 2.028 1.00 0.00 C ATOM 0 H VAL A 858 -0.625 17.967 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.844 15.294 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 858 -1.521 17.265 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.524 15.458 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -3.646 16.030 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.779 14.491 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.124 15.526 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.266 14.546 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.565 16.119 1.580 1.00 0.00 H new ATOM 338 N ILE A 859 -4.056 16.413 -0.653 1.00 0.00 N ATOM 339 CA ILE A 859 -5.354 16.998 -0.909 1.00 0.00 C ATOM 340 C ILE A 859 -6.396 16.052 -0.381 1.00 0.00 C ATOM 341 O ILE A 859 -6.068 14.942 0.003 1.00 0.00 O ATOM 342 CB ILE A 859 -5.629 17.246 -2.429 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.620 15.921 -3.218 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.624 18.237 -3.021 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.033 16.065 -4.666 1.00 0.00 C ATOM 0 H ILE A 859 -3.965 15.446 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.385 17.970 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.623 17.685 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.619 15.492 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.290 15.214 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -4.842 18.388 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.699 19.189 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.615 17.841 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.001 15.090 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.046 16.463 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.350 16.746 -5.173 1.00 0.00 H new ATOM 357 N ARG A 860 -7.619 16.469 -0.338 1.00 0.00 N ATOM 358 CA ARG A 860 -8.673 15.587 0.061 1.00 0.00 C ATOM 359 C ARG A 860 -9.461 15.162 -1.137 1.00 0.00 C ATOM 360 O ARG A 860 -9.656 15.947 -2.071 1.00 0.00 O ATOM 361 CB ARG A 860 -9.575 16.213 1.110 1.00 0.00 C ATOM 362 CG ARG A 860 -8.894 16.397 2.438 1.00 0.00 C ATOM 363 CD ARG A 860 -9.821 17.022 3.442 1.00 0.00 C ATOM 364 NE ARG A 860 -9.168 17.284 4.725 1.00 0.00 N ATOM 365 CZ ARG A 860 -9.799 17.303 5.902 1.00 0.00 C ATOM 366 NH1 ARG A 860 -11.092 16.971 5.970 1.00 0.00 N ATOM 367 NH2 ARG A 860 -9.134 17.656 7.006 1.00 0.00 N ATOM 0 H ARG A 860 -7.916 17.416 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.219 14.709 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.924 17.181 0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.456 15.586 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.549 15.432 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -8.012 17.025 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -10.210 17.957 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.675 16.364 3.601 1.00 0.00 H new ATOM 0 HE ARG A 860 -8.164 17.464 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -11.595 16.704 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -11.576 16.985 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -8.148 17.910 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -9.613 17.672 7.907 1.00 0.00 H new ATOM 381 N ASP A 861 -9.889 13.931 -1.135 1.00 0.00 N ATOM 382 CA ASP A 861 -10.665 13.391 -2.232 1.00 0.00 C ATOM 383 C ASP A 861 -12.117 13.799 -2.082 1.00 0.00 C ATOM 384 O ASP A 861 -12.465 14.643 -1.227 1.00 0.00 O ATOM 385 CB ASP A 861 -10.553 11.845 -2.306 1.00 0.00 C ATOM 386 CG ASP A 861 -11.315 11.093 -1.223 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.384 11.559 -0.088 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.894 10.044 -1.524 1.00 0.00 O ATOM 0 H ASP A 861 -9.714 13.270 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.263 13.797 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -10.915 11.516 -3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.500 11.569 -2.247 1.00 0.00 H new ATOM 393 N GLU A 862 -12.948 13.231 -2.909 1.00 0.00 N ATOM 394 CA GLU A 862 -14.374 13.485 -2.909 1.00 0.00 C ATOM 395 C GLU A 862 -15.046 13.072 -1.597 1.00 0.00 C ATOM 396 O GLU A 862 -16.063 13.639 -1.222 1.00 0.00 O ATOM 397 CB GLU A 862 -14.997 12.792 -4.110 1.00 0.00 C ATOM 398 CG GLU A 862 -14.679 11.309 -4.188 1.00 0.00 C ATOM 399 CD GLU A 862 -14.891 10.762 -5.563 1.00 0.00 C ATOM 400 OE1 GLU A 862 -14.147 11.167 -6.468 1.00 0.00 O ATOM 401 OE2 GLU A 862 -15.765 9.897 -5.763 1.00 0.00 O ATOM 0 H GLU A 862 -12.653 12.562 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.536 14.560 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.079 12.922 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.648 13.278 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -13.644 11.144 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.306 10.766 -3.481 1.00 0.00 H new ATOM 408 N TRP A 863 -14.477 12.103 -0.902 1.00 0.00 N ATOM 409 CA TRP A 863 -15.016 11.672 0.367 1.00 0.00 C ATOM 410 C TRP A 863 -14.457 12.517 1.503 1.00 0.00 C ATOM 411 O TRP A 863 -15.140 12.754 2.506 1.00 0.00 O ATOM 412 CB TRP A 863 -14.758 10.179 0.601 1.00 0.00 C ATOM 413 CG TRP A 863 -15.229 9.305 -0.531 1.00 0.00 C ATOM 414 CD1 TRP A 863 -14.522 8.319 -1.152 1.00 0.00 C ATOM 415 CD2 TRP A 863 -16.491 9.373 -1.204 1.00 0.00 C ATOM 416 NE1 TRP A 863 -15.277 7.755 -2.151 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.490 8.386 -2.202 1.00 0.00 C ATOM 418 CE3 TRP A 863 -17.621 10.167 -1.048 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -17.577 8.176 -3.042 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -18.700 9.965 -1.882 1.00 0.00 C ATOM 421 CH2 TRP A 863 -18.671 8.975 -2.865 1.00 0.00 C ATOM 0 H TRP A 863 -13.640 11.601 -1.199 1.00 0.00 H new ATOM 0 HA TRP A 863 -16.096 11.815 0.343 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.690 10.022 0.751 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -15.258 9.871 1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -13.515 8.024 -0.896 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -14.981 6.990 -2.757 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -17.653 10.931 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -17.558 7.411 -3.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -19.580 10.582 -1.773 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -19.533 8.837 -3.501 1.00 0.00 H new ATOM 432 N GLY A 864 -13.234 12.975 1.346 1.00 0.00 N ATOM 433 CA GLY A 864 -12.640 13.844 2.334 1.00 0.00 C ATOM 434 C GLY A 864 -11.462 13.220 3.040 1.00 0.00 C ATOM 435 O GLY A 864 -11.149 13.586 4.166 1.00 0.00 O ATOM 0 H GLY A 864 -12.636 12.761 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.319 14.767 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -13.395 14.116 3.071 1.00 0.00 H new ATOM 439 N ASN A 865 -10.804 12.305 2.384 1.00 0.00 N ATOM 440 CA ASN A 865 -9.656 11.612 2.949 1.00 0.00 C ATOM 441 C ASN A 865 -8.411 12.223 2.371 1.00 0.00 C ATOM 442 O ASN A 865 -8.476 12.863 1.315 1.00 0.00 O ATOM 443 CB ASN A 865 -9.671 10.125 2.560 1.00 0.00 C ATOM 444 CG ASN A 865 -10.953 9.402 2.914 1.00 0.00 C ATOM 445 OD1 ASN A 865 -11.883 9.393 2.000 1.00 0.00 O flip ATOM 446 ND2 ASN A 865 -11.104 8.850 4.007 1.00 0.00 N flip ATOM 0 H ASN A 865 -11.042 12.010 1.437 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.688 11.701 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.505 10.041 1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.837 9.624 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -10.355 8.876 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.977 8.367 4.218 1.00 0.00 H new ATOM 453 N GLN A 866 -7.288 12.035 3.031 1.00 0.00 N ATOM 454 CA GLN A 866 -6.028 12.546 2.527 1.00 0.00 C ATOM 455 C GLN A 866 -5.555 11.726 1.351 1.00 0.00 C ATOM 456 O GLN A 866 -5.479 10.494 1.419 1.00 0.00 O ATOM 457 CB GLN A 866 -4.937 12.579 3.604 1.00 0.00 C ATOM 458 CG GLN A 866 -5.202 13.554 4.732 1.00 0.00 C ATOM 459 CD GLN A 866 -4.090 13.588 5.760 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.216 14.535 5.630 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -4.057 12.795 6.709 1.00 0.00 N flip ATOM 0 H GLN A 866 -7.220 11.533 3.916 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.211 13.572 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.826 11.579 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.987 12.835 3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.336 14.553 4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.136 13.285 5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -4.760 12.060 6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -3.327 12.877 7.417 1.00 0.00 H new ATOM 470 N ILE A 867 -5.295 12.398 0.285 1.00 0.00 N ATOM 471 CA ILE A 867 -4.764 11.815 -0.907 1.00 0.00 C ATOM 472 C ILE A 867 -3.411 12.425 -1.128 1.00 0.00 C ATOM 473 O ILE A 867 -3.249 13.650 -1.011 1.00 0.00 O ATOM 474 CB ILE A 867 -5.654 12.114 -2.153 1.00 0.00 C ATOM 475 CG1 ILE A 867 -7.085 11.610 -1.951 1.00 0.00 C ATOM 476 CG2 ILE A 867 -5.054 11.512 -3.425 1.00 0.00 C ATOM 477 CD1 ILE A 867 -7.201 10.115 -1.712 1.00 0.00 C ATOM 0 H ILE A 867 -5.450 13.404 0.212 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.721 10.733 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.687 13.197 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.525 12.135 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.676 11.871 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.699 11.739 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -4.065 11.936 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.970 10.431 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -8.249 9.848 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.795 9.577 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.642 9.845 -0.816 1.00 0.00 H new ATOM 489 N TRP A 868 -2.453 11.608 -1.411 1.00 0.00 N ATOM 490 CA TRP A 868 -1.128 12.071 -1.641 1.00 0.00 C ATOM 491 C TRP A 868 -0.851 12.171 -3.114 1.00 0.00 C ATOM 492 O TRP A 868 -1.227 11.288 -3.903 1.00 0.00 O ATOM 493 CB TRP A 868 -0.098 11.203 -0.924 1.00 0.00 C ATOM 494 CG TRP A 868 -0.094 11.398 0.570 1.00 0.00 C ATOM 495 CD1 TRP A 868 0.745 12.200 1.274 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.974 10.797 1.540 1.00 0.00 C ATOM 497 NE1 TRP A 868 0.459 12.128 2.616 1.00 0.00 N ATOM 498 CE2 TRP A 868 -0.588 11.280 2.803 1.00 0.00 C ATOM 499 CE3 TRP A 868 -2.043 9.899 1.465 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -1.228 10.899 3.975 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.677 9.525 2.633 1.00 0.00 C ATOM 502 CH2 TRP A 868 -2.267 10.024 3.871 1.00 0.00 C ATOM 0 H TRP A 868 -2.568 10.598 -1.489 1.00 0.00 H new ATOM 0 HA TRP A 868 -1.041 13.072 -1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.298 10.155 -1.147 1.00 0.00 H new ATOM 0 HB3 TRP A 868 0.894 11.429 -1.316 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.526 12.808 0.841 1.00 0.00 H new ATOM 0 HE1 TRP A 868 0.953 12.630 3.354 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -2.366 9.506 0.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.913 11.283 4.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -3.505 8.834 2.588 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -2.785 9.710 4.765 1.00 0.00 H new ATOM 513 N ILE A 869 -0.271 13.263 -3.476 1.00 0.00 N ATOM 514 CA ILE A 869 0.099 13.574 -4.818 1.00 0.00 C ATOM 515 C ILE A 869 1.597 13.396 -4.909 1.00 0.00 C ATOM 516 O ILE A 869 2.319 13.876 -4.047 1.00 0.00 O ATOM 517 CB ILE A 869 -0.239 15.066 -5.155 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.702 15.424 -4.812 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.057 15.391 -6.619 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.739 14.637 -5.567 1.00 0.00 C ATOM 0 H ILE A 869 -0.029 14.000 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.440 12.930 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 869 0.409 15.678 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.857 15.272 -3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.857 16.485 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.189 16.434 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.115 15.223 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.543 14.748 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.734 14.958 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.617 14.807 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.618 13.575 -5.352 1.00 0.00 H new ATOM 532 N CYS A 870 2.047 12.699 -5.907 1.00 0.00 N ATOM 533 CA CYS A 870 3.449 12.504 -6.111 1.00 0.00 C ATOM 534 C CYS A 870 4.022 13.747 -6.753 1.00 0.00 C ATOM 535 O CYS A 870 3.539 14.179 -7.803 1.00 0.00 O ATOM 536 CB CYS A 870 3.660 11.298 -7.033 1.00 0.00 C ATOM 537 SG CYS A 870 5.371 10.933 -7.549 1.00 0.00 S ATOM 0 H CYS A 870 1.452 12.249 -6.603 1.00 0.00 H new ATOM 0 HA CYS A 870 3.948 12.319 -5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.263 10.416 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.061 11.450 -7.931 1.00 0.00 H new ATOM 0 HG CYS A 870 5.354 10.115 -8.559 1.00 0.00 H new ATOM 542 N PRO A 871 5.035 14.369 -6.149 1.00 0.00 N ATOM 543 CA PRO A 871 5.716 15.495 -6.754 1.00 0.00 C ATOM 544 C PRO A 871 6.530 15.062 -7.987 1.00 0.00 C ATOM 545 O PRO A 871 7.061 15.896 -8.720 1.00 0.00 O ATOM 546 CB PRO A 871 6.641 16.016 -5.646 1.00 0.00 C ATOM 547 CG PRO A 871 6.135 15.392 -4.390 1.00 0.00 C ATOM 548 CD PRO A 871 5.557 14.078 -4.803 1.00 0.00 C ATOM 0 HA PRO A 871 5.019 16.253 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.678 15.737 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.610 17.104 -5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.939 15.257 -3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.382 16.021 -3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.311 13.291 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.770 13.750 -4.125 1.00 0.00 H new ATOM 556 N GLY A 872 6.617 13.762 -8.214 1.00 0.00 N ATOM 557 CA GLY A 872 7.320 13.257 -9.348 1.00 0.00 C ATOM 558 C GLY A 872 6.541 13.477 -10.625 1.00 0.00 C ATOM 559 O GLY A 872 7.024 14.140 -11.546 1.00 0.00 O ATOM 0 H GLY A 872 6.203 13.046 -7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.291 13.747 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.510 12.192 -9.215 1.00 0.00 H new ATOM 563 N CYS A 873 5.330 12.971 -10.668 1.00 0.00 N ATOM 564 CA CYS A 873 4.501 13.054 -11.847 1.00 0.00 C ATOM 565 C CYS A 873 3.498 14.195 -11.738 1.00 0.00 C ATOM 566 O CYS A 873 3.156 14.832 -12.738 1.00 0.00 O ATOM 567 CB CYS A 873 3.760 11.748 -11.945 1.00 0.00 C ATOM 568 SG CYS A 873 2.983 11.305 -10.373 1.00 0.00 S ATOM 0 H CYS A 873 4.891 12.489 -9.883 1.00 0.00 H new ATOM 0 HA CYS A 873 5.117 13.242 -12.726 1.00 0.00 H new ATOM 0 HB2 CYS A 873 2.998 11.819 -12.721 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.450 10.959 -12.246 1.00 0.00 H new ATOM 0 HG CYS A 873 3.902 11.012 -9.502 1.00 0.00 H new ATOM 573 N ASN A 874 3.084 14.454 -10.491 1.00 0.00 N ATOM 574 CA ASN A 874 2.036 15.416 -10.104 1.00 0.00 C ATOM 575 C ASN A 874 0.672 14.767 -10.199 1.00 0.00 C ATOM 576 O ASN A 874 -0.343 15.432 -10.463 1.00 0.00 O ATOM 577 CB ASN A 874 2.089 16.775 -10.860 1.00 0.00 C ATOM 578 CG ASN A 874 3.278 17.665 -10.492 1.00 0.00 C ATOM 579 OD1 ASN A 874 4.385 17.069 -10.105 1.00 0.00 O flip ATOM 580 ND2 ASN A 874 3.192 18.896 -10.564 1.00 0.00 N flip ATOM 0 H ASN A 874 3.488 13.978 -9.684 1.00 0.00 H new ATOM 0 HA ASN A 874 2.236 15.682 -9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.118 16.578 -11.932 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.168 17.322 -10.661 1.00 0.00 H new ATOM 0 HD21 ASN A 874 2.320 19.329 -10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 874 3.993 19.478 -10.320 1.00 0.00 H new ATOM 587 N LYS A 875 0.639 13.462 -9.967 1.00 0.00 N ATOM 588 CA LYS A 875 -0.592 12.715 -9.953 1.00 0.00 C ATOM 589 C LYS A 875 -0.849 12.195 -8.555 1.00 0.00 C ATOM 590 O LYS A 875 0.098 11.989 -7.785 1.00 0.00 O ATOM 591 CB LYS A 875 -0.504 11.512 -10.875 1.00 0.00 C ATOM 592 CG LYS A 875 -0.265 11.804 -12.332 1.00 0.00 C ATOM 593 CD LYS A 875 -0.193 10.495 -13.061 1.00 0.00 C ATOM 594 CE LYS A 875 0.061 10.652 -14.536 1.00 0.00 C ATOM 595 NZ LYS A 875 0.068 9.334 -15.197 1.00 0.00 N ATOM 0 H LYS A 875 1.470 12.899 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.391 13.379 -10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.299 10.867 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -1.431 10.945 -10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -1.069 12.420 -12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.661 12.364 -12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 875 0.599 9.887 -12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.128 9.953 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.708 11.285 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.016 11.152 -14.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 0.244 9.457 -16.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.818 8.743 -14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.853 8.871 -15.059 1.00 0.00 H new ATOM 609 N PRO A 876 -2.122 11.988 -8.190 1.00 0.00 N ATOM 610 CA PRO A 876 -2.477 11.355 -6.926 1.00 0.00 C ATOM 611 C PRO A 876 -2.136 9.873 -6.985 1.00 0.00 C ATOM 612 O PRO A 876 -1.836 9.340 -8.073 1.00 0.00 O ATOM 613 CB PRO A 876 -3.996 11.539 -6.853 1.00 0.00 C ATOM 614 CG PRO A 876 -4.423 11.625 -8.268 1.00 0.00 C ATOM 615 CD PRO A 876 -3.321 12.352 -8.979 1.00 0.00 C ATOM 0 HA PRO A 876 -1.953 11.775 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.474 10.702 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.261 12.441 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.575 10.633 -8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.368 12.160 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -3.232 12.035 -10.018 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.487 13.429 -8.988 1.00 0.00 H new ATOM 623 N ASP A 877 -2.162 9.199 -5.873 1.00 0.00 N ATOM 624 CA ASP A 877 -1.855 7.798 -5.913 1.00 0.00 C ATOM 625 C ASP A 877 -3.030 6.999 -6.408 1.00 0.00 C ATOM 626 O ASP A 877 -4.171 7.182 -5.962 1.00 0.00 O ATOM 627 CB ASP A 877 -1.325 7.225 -4.600 1.00 0.00 C ATOM 628 CG ASP A 877 -0.867 5.784 -4.797 1.00 0.00 C ATOM 629 OD1 ASP A 877 -0.334 5.469 -5.899 1.00 0.00 O ATOM 630 OD2 ASP A 877 -1.029 4.957 -3.903 1.00 0.00 O ATOM 0 H ASP A 877 -2.385 9.580 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.032 7.709 -6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.494 7.832 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.103 7.265 -3.838 1.00 0.00 H new ATOM 635 N ASP A 878 -2.750 6.141 -7.344 1.00 0.00 N ATOM 636 CA ASP A 878 -3.753 5.261 -7.944 1.00 0.00 C ATOM 637 C ASP A 878 -3.915 4.070 -7.048 1.00 0.00 C ATOM 638 O ASP A 878 -5.004 3.487 -6.912 1.00 0.00 O ATOM 639 CB ASP A 878 -3.290 4.796 -9.337 1.00 0.00 C ATOM 640 CG ASP A 878 -4.228 3.793 -9.987 1.00 0.00 C ATOM 641 OD1 ASP A 878 -5.199 4.212 -10.641 1.00 0.00 O ATOM 642 OD2 ASP A 878 -3.987 2.562 -9.881 1.00 0.00 O ATOM 0 H ASP A 878 -1.813 6.018 -7.728 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.698 5.793 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.194 5.665 -9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.299 4.351 -9.251 1.00 0.00 H new ATOM 647 N GLY A 879 -2.843 3.768 -6.387 1.00 0.00 N ATOM 648 CA GLY A 879 -2.766 2.642 -5.547 1.00 0.00 C ATOM 649 C GLY A 879 -1.512 1.916 -5.855 1.00 0.00 C ATOM 650 O GLY A 879 -1.539 0.807 -6.373 1.00 0.00 O ATOM 0 H GLY A 879 -1.984 4.317 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.781 2.947 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.628 1.993 -5.702 1.00 0.00 H new ATOM 654 N SER A 880 -0.416 2.567 -5.638 1.00 0.00 N ATOM 655 CA SER A 880 0.871 1.991 -5.889 1.00 0.00 C ATOM 656 C SER A 880 1.763 2.202 -4.673 1.00 0.00 C ATOM 657 O SER A 880 1.411 2.980 -3.781 1.00 0.00 O ATOM 658 CB SER A 880 1.490 2.652 -7.115 1.00 0.00 C ATOM 659 OG SER A 880 0.629 2.534 -8.255 1.00 0.00 O ATOM 0 H SER A 880 -0.385 3.521 -5.279 1.00 0.00 H new ATOM 0 HA SER A 880 0.769 0.922 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.681 3.705 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 880 2.453 2.191 -7.333 1.00 0.00 H new ATOM 0 HG SER A 880 1.048 2.967 -9.028 1.00 0.00 H new ATOM 665 N PRO A 881 2.867 1.450 -4.553 1.00 0.00 N ATOM 666 CA PRO A 881 3.837 1.671 -3.499 1.00 0.00 C ATOM 667 C PRO A 881 4.505 3.028 -3.670 1.00 0.00 C ATOM 668 O PRO A 881 4.995 3.384 -4.762 1.00 0.00 O ATOM 669 CB PRO A 881 4.835 0.517 -3.676 1.00 0.00 C ATOM 670 CG PRO A 881 4.063 -0.501 -4.425 1.00 0.00 C ATOM 671 CD PRO A 881 3.242 0.288 -5.380 1.00 0.00 C ATOM 0 HA PRO A 881 3.399 1.684 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.720 0.834 -4.227 1.00 0.00 H new ATOM 0 HB3 PRO A 881 5.178 0.133 -2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.722 -1.195 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.437 -1.095 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.808 0.579 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.370 -0.267 -5.728 1.00 0.00 H new ATOM 679 N MET A 882 4.451 3.803 -2.635 1.00 0.00 N ATOM 680 CA MET A 882 5.014 5.120 -2.639 1.00 0.00 C ATOM 681 C MET A 882 6.153 5.146 -1.649 1.00 0.00 C ATOM 682 O MET A 882 6.184 4.326 -0.711 1.00 0.00 O ATOM 683 CB MET A 882 3.956 6.163 -2.241 1.00 0.00 C ATOM 684 CG MET A 882 2.653 6.062 -3.024 1.00 0.00 C ATOM 685 SD MET A 882 1.488 7.386 -2.645 1.00 0.00 S ATOM 686 CE MET A 882 2.228 8.744 -3.537 1.00 0.00 C ATOM 0 H MET A 882 4.011 3.540 -1.753 1.00 0.00 H new ATOM 0 HA MET A 882 5.370 5.365 -3.640 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.738 6.055 -1.179 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.374 7.160 -2.381 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.876 6.078 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.183 5.102 -2.811 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.380 9.584 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.188 8.430 -3.947 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.568 9.048 -4.350 1.00 0.00 H new ATOM 696 N ILE A 883 7.075 6.043 -1.840 1.00 0.00 N ATOM 697 CA ILE A 883 8.200 6.162 -0.958 1.00 0.00 C ATOM 698 C ILE A 883 8.257 7.571 -0.383 1.00 0.00 C ATOM 699 O ILE A 883 8.008 8.564 -1.086 1.00 0.00 O ATOM 700 CB ILE A 883 9.553 5.775 -1.649 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.710 5.783 -0.636 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.862 6.719 -2.811 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.993 5.190 -1.177 1.00 0.00 C ATOM 0 H ILE A 883 7.069 6.712 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 883 8.061 5.449 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 883 9.447 4.764 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.899 6.809 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.409 5.227 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.805 6.430 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.063 6.661 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.939 7.741 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.765 5.229 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.821 4.153 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.319 5.760 -2.047 1.00 0.00 H new ATOM 715 N GLY A 884 8.465 7.631 0.894 1.00 0.00 N ATOM 716 CA GLY A 884 8.606 8.867 1.571 1.00 0.00 C ATOM 717 C GLY A 884 10.055 9.203 1.732 1.00 0.00 C ATOM 718 O GLY A 884 10.846 8.351 2.192 1.00 0.00 O ATOM 0 H GLY A 884 8.541 6.811 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 884 8.102 9.656 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.127 8.812 2.548 1.00 0.00 H new ATOM 722 N CYS A 885 10.409 10.403 1.319 1.00 0.00 N ATOM 723 CA CYS A 885 11.752 10.927 1.448 1.00 0.00 C ATOM 724 C CYS A 885 12.083 11.093 2.923 1.00 0.00 C ATOM 725 O CYS A 885 11.185 11.185 3.764 1.00 0.00 O ATOM 726 CB CYS A 885 11.831 12.280 0.682 1.00 0.00 C ATOM 727 SG CYS A 885 13.399 13.239 0.816 1.00 0.00 S ATOM 0 H CYS A 885 9.759 11.053 0.876 1.00 0.00 H new ATOM 0 HA CYS A 885 12.483 10.244 1.017 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.647 12.081 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 885 11.017 12.914 1.033 1.00 0.00 H new ATOM 0 HG CYS A 885 13.490 14.063 -0.185 1.00 0.00 H new ATOM 732 N ASP A 886 13.335 11.099 3.244 1.00 0.00 N ATOM 733 CA ASP A 886 13.739 11.284 4.607 1.00 0.00 C ATOM 734 C ASP A 886 14.018 12.726 4.916 1.00 0.00 C ATOM 735 O ASP A 886 14.147 13.094 6.077 1.00 0.00 O ATOM 736 CB ASP A 886 14.946 10.433 4.970 1.00 0.00 C ATOM 737 CG ASP A 886 14.615 8.984 5.217 1.00 0.00 C ATOM 738 OD1 ASP A 886 14.177 8.633 6.350 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.807 8.161 4.308 1.00 0.00 O ATOM 0 H ASP A 886 14.101 10.978 2.582 1.00 0.00 H new ATOM 0 HA ASP A 886 12.898 10.956 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.679 10.497 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.415 10.846 5.863 1.00 0.00 H new ATOM 744 N ASP A 887 14.111 13.562 3.901 1.00 0.00 N ATOM 745 CA ASP A 887 14.404 14.965 4.173 1.00 0.00 C ATOM 746 C ASP A 887 13.125 15.757 4.217 1.00 0.00 C ATOM 747 O ASP A 887 12.858 16.473 5.185 1.00 0.00 O ATOM 748 CB ASP A 887 15.358 15.577 3.147 1.00 0.00 C ATOM 749 CG ASP A 887 15.921 16.918 3.597 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.225 17.962 3.494 1.00 0.00 O ATOM 751 OD2 ASP A 887 17.084 16.960 4.051 1.00 0.00 O ATOM 0 H ASP A 887 13.995 13.315 2.918 1.00 0.00 H new ATOM 0 HA ASP A 887 14.903 15.006 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.180 14.885 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.833 15.707 2.201 1.00 0.00 H new ATOM 756 N CYS A 888 12.317 15.627 3.178 1.00 0.00 N ATOM 757 CA CYS A 888 11.058 16.349 3.147 1.00 0.00 C ATOM 758 C CYS A 888 9.931 15.520 3.758 1.00 0.00 C ATOM 759 O CYS A 888 8.908 16.071 4.206 1.00 0.00 O ATOM 760 CB CYS A 888 10.708 16.850 1.718 1.00 0.00 C ATOM 761 SG CYS A 888 10.615 15.588 0.417 1.00 0.00 S ATOM 0 H CYS A 888 12.504 15.043 2.363 1.00 0.00 H new ATOM 0 HA CYS A 888 11.177 17.239 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.748 17.365 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 888 11.453 17.589 1.424 1.00 0.00 H new ATOM 0 HG CYS A 888 11.658 14.815 0.487 1.00 0.00 H new ATOM 766 N ASP A 889 10.141 14.187 3.789 1.00 0.00 N ATOM 767 CA ASP A 889 9.168 13.208 4.335 1.00 0.00 C ATOM 768 C ASP A 889 7.869 13.274 3.515 1.00 0.00 C ATOM 769 O ASP A 889 6.755 13.008 3.990 1.00 0.00 O ATOM 770 CB ASP A 889 8.967 13.452 5.862 1.00 0.00 C ATOM 771 CG ASP A 889 8.054 12.451 6.570 1.00 0.00 C ATOM 772 OD1 ASP A 889 8.443 11.260 6.744 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.936 12.858 6.999 1.00 0.00 O ATOM 0 H ASP A 889 10.994 13.754 3.435 1.00 0.00 H new ATOM 0 HA ASP A 889 9.545 12.190 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.943 13.435 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 889 8.559 14.453 6.002 1.00 0.00 H new ATOM 778 N ASP A 890 8.040 13.614 2.254 1.00 0.00 N ATOM 779 CA ASP A 890 6.946 13.758 1.332 1.00 0.00 C ATOM 780 C ASP A 890 6.849 12.487 0.493 1.00 0.00 C ATOM 781 O ASP A 890 7.807 11.701 0.460 1.00 0.00 O ATOM 782 CB ASP A 890 7.176 14.991 0.476 1.00 0.00 C ATOM 783 CG ASP A 890 5.942 15.499 -0.209 1.00 0.00 C ATOM 784 OD1 ASP A 890 4.807 15.093 0.186 1.00 0.00 O ATOM 785 OD2 ASP A 890 6.088 16.373 -1.081 1.00 0.00 O ATOM 0 H ASP A 890 8.954 13.799 1.842 1.00 0.00 H new ATOM 0 HA ASP A 890 6.001 13.893 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.584 15.784 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 890 7.929 14.762 -0.278 1.00 0.00 H new ATOM 790 N TRP A 891 5.740 12.295 -0.189 1.00 0.00 N ATOM 791 CA TRP A 891 5.452 11.007 -0.838 1.00 0.00 C ATOM 792 C TRP A 891 5.506 11.021 -2.350 1.00 0.00 C ATOM 793 O TRP A 891 4.698 11.654 -3.000 1.00 0.00 O ATOM 794 CB TRP A 891 4.100 10.459 -0.368 1.00 0.00 C ATOM 795 CG TRP A 891 4.129 10.058 1.059 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.791 10.809 2.136 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.553 8.804 1.562 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.995 10.093 3.284 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.458 8.858 2.957 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.006 7.642 0.961 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.802 7.792 3.762 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.351 6.582 1.751 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.250 6.658 3.145 1.00 0.00 C ATOM 0 H TRP A 891 5.017 13.004 -0.316 1.00 0.00 H new ATOM 0 HA TRP A 891 6.263 10.350 -0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.330 11.217 -0.516 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.824 9.600 -0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.417 11.821 2.094 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.827 10.431 4.231 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.085 7.575 -0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.720 7.851 4.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.707 5.671 1.293 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.531 5.805 3.744 1.00 0.00 H new ATOM 814 N TYR A 892 6.436 10.268 -2.891 1.00 0.00 N ATOM 815 CA TYR A 892 6.595 10.112 -4.325 1.00 0.00 C ATOM 816 C TYR A 892 6.278 8.676 -4.698 1.00 0.00 C ATOM 817 O TYR A 892 6.313 7.786 -3.835 1.00 0.00 O ATOM 818 CB TYR A 892 8.042 10.368 -4.730 1.00 0.00 C ATOM 819 CG TYR A 892 8.572 11.769 -4.533 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.839 12.267 -3.268 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.844 12.575 -5.628 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.350 13.525 -3.099 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.374 13.830 -5.470 1.00 0.00 C ATOM 824 CZ TYR A 892 9.621 14.303 -4.205 1.00 0.00 C ATOM 825 OH TYR A 892 10.184 15.534 -4.042 1.00 0.00 O ATOM 0 H TYR A 892 7.114 9.738 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 892 5.932 10.817 -4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.677 9.683 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.150 10.110 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.641 11.653 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.635 12.208 -6.622 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.540 13.906 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.595 14.441 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 892 11.106 15.433 -3.726 1.00 0.00 H new ATOM 835 N HIS A 893 5.980 8.434 -5.947 1.00 0.00 N ATOM 836 CA HIS A 893 5.776 7.066 -6.417 1.00 0.00 C ATOM 837 C HIS A 893 7.100 6.433 -6.752 1.00 0.00 C ATOM 838 O HIS A 893 8.056 7.127 -7.105 1.00 0.00 O ATOM 839 CB HIS A 893 4.876 6.988 -7.652 1.00 0.00 C ATOM 840 CG HIS A 893 3.468 7.362 -7.415 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.908 8.450 -8.023 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.555 6.756 -6.651 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.645 8.492 -7.599 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.403 7.474 -6.765 1.00 0.00 N ATOM 0 H HIS A 893 5.871 9.153 -6.662 1.00 0.00 H new ATOM 0 HA HIS A 893 5.282 6.533 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.285 7.639 -8.424 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.906 5.971 -8.043 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.362 9.096 -8.668 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.702 5.867 -6.056 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.921 9.240 -7.887 1.00 0.00 H new ATOM 852 N TRP A 894 7.144 5.125 -6.673 1.00 0.00 N ATOM 853 CA TRP A 894 8.341 4.362 -6.969 1.00 0.00 C ATOM 854 C TRP A 894 8.858 4.579 -8.401 1.00 0.00 C ATOM 855 O TRP A 894 9.994 5.036 -8.566 1.00 0.00 O ATOM 856 CB TRP A 894 8.151 2.871 -6.673 1.00 0.00 C ATOM 857 CG TRP A 894 8.197 2.502 -5.237 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.183 3.338 -4.161 1.00 0.00 C ATOM 859 CD2 TRP A 894 8.288 1.177 -4.717 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.249 2.609 -3.003 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.310 1.278 -3.321 1.00 0.00 C ATOM 862 CE3 TRP A 894 8.346 -0.091 -5.305 1.00 0.00 C ATOM 863 CZ2 TRP A 894 8.388 0.158 -2.503 1.00 0.00 C ATOM 864 CZ3 TRP A 894 8.425 -1.198 -4.491 1.00 0.00 C ATOM 865 CH2 TRP A 894 8.445 -1.067 -3.107 1.00 0.00 C ATOM 0 H TRP A 894 6.346 4.552 -6.400 1.00 0.00 H new ATOM 0 HA TRP A 894 9.111 4.746 -6.299 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.192 2.555 -7.082 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.923 2.311 -7.201 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.128 4.415 -4.213 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.252 2.994 -2.059 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.329 -0.199 -6.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 8.403 0.252 -1.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 8.472 -2.182 -4.933 1.00 0.00 H new ATOM 0 HH2 TRP A 894 8.507 -1.954 -2.494 1.00 0.00 H new ATOM 876 N PRO A 895 8.040 4.311 -9.468 1.00 0.00 N ATOM 877 CA PRO A 895 8.499 4.458 -10.859 1.00 0.00 C ATOM 878 C PRO A 895 8.808 5.913 -11.243 1.00 0.00 C ATOM 879 O PRO A 895 9.446 6.180 -12.272 1.00 0.00 O ATOM 880 CB PRO A 895 7.327 3.923 -11.691 1.00 0.00 C ATOM 881 CG PRO A 895 6.145 4.095 -10.812 1.00 0.00 C ATOM 882 CD PRO A 895 6.638 3.816 -9.430 1.00 0.00 C ATOM 0 HA PRO A 895 9.435 3.924 -11.022 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.214 4.478 -12.622 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.474 2.877 -11.959 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.741 5.104 -10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.345 3.409 -11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.046 4.337 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.592 2.753 -9.192 1.00 0.00 H new ATOM 890 N CYS A 896 8.351 6.836 -10.425 1.00 0.00 N ATOM 891 CA CYS A 896 8.568 8.230 -10.653 1.00 0.00 C ATOM 892 C CYS A 896 9.960 8.664 -10.185 1.00 0.00 C ATOM 893 O CYS A 896 10.575 9.560 -10.773 1.00 0.00 O ATOM 894 CB CYS A 896 7.475 9.019 -9.943 1.00 0.00 C ATOM 895 SG CYS A 896 5.803 8.577 -10.485 1.00 0.00 S ATOM 0 H CYS A 896 7.817 6.629 -9.581 1.00 0.00 H new ATOM 0 HA CYS A 896 8.522 8.430 -11.723 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.557 8.853 -8.869 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.635 10.083 -10.115 1.00 0.00 H new ATOM 0 HG CYS A 896 5.037 9.626 -10.430 1.00 0.00 H new ATOM 900 N VAL A 897 10.451 8.030 -9.142 1.00 0.00 N ATOM 901 CA VAL A 897 11.756 8.382 -8.595 1.00 0.00 C ATOM 902 C VAL A 897 12.829 7.332 -8.895 1.00 0.00 C ATOM 903 O VAL A 897 14.009 7.544 -8.612 1.00 0.00 O ATOM 904 CB VAL A 897 11.691 8.654 -7.078 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.815 9.858 -6.802 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.165 7.444 -6.334 1.00 0.00 C ATOM 0 H VAL A 897 9.974 7.272 -8.654 1.00 0.00 H new ATOM 0 HA VAL A 897 12.046 9.303 -9.101 1.00 0.00 H new ATOM 0 HB VAL A 897 12.701 8.860 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.776 10.041 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.229 10.732 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.808 9.669 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.129 7.661 -5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.163 7.205 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.824 6.594 -6.509 1.00 0.00 H new ATOM 916 N GLY A 898 12.418 6.200 -9.423 1.00 0.00 N ATOM 917 CA GLY A 898 13.371 5.183 -9.804 1.00 0.00 C ATOM 918 C GLY A 898 13.519 4.104 -8.757 1.00 0.00 C ATOM 919 O GLY A 898 14.516 3.386 -8.724 1.00 0.00 O ATOM 0 H GLY A 898 11.441 5.963 -9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.057 4.731 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.341 5.647 -9.981 1.00 0.00 H new ATOM 923 N ILE A 899 12.540 3.983 -7.905 1.00 0.00 N ATOM 924 CA ILE A 899 12.554 2.965 -6.884 1.00 0.00 C ATOM 925 C ILE A 899 11.829 1.737 -7.412 1.00 0.00 C ATOM 926 O ILE A 899 10.710 1.832 -7.896 1.00 0.00 O ATOM 927 CB ILE A 899 11.897 3.456 -5.555 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.706 4.598 -4.925 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.745 2.309 -4.550 1.00 0.00 C ATOM 930 CD1 ILE A 899 14.043 4.187 -4.369 1.00 0.00 C ATOM 0 H ILE A 899 11.714 4.581 -7.895 1.00 0.00 H new ATOM 0 HA ILE A 899 13.591 2.722 -6.651 1.00 0.00 H new ATOM 0 HB ILE A 899 10.904 3.829 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.862 5.372 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 899 12.116 5.045 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.285 2.685 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 899 11.116 1.530 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.727 1.896 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.544 5.057 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.899 3.437 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.656 3.769 -5.167 1.00 0.00 H new ATOM 942 N MET A 900 12.485 0.615 -7.377 1.00 0.00 N ATOM 943 CA MET A 900 11.890 -0.621 -7.832 1.00 0.00 C ATOM 944 C MET A 900 11.702 -1.583 -6.673 1.00 0.00 C ATOM 945 O MET A 900 10.855 -2.486 -6.726 1.00 0.00 O ATOM 946 CB MET A 900 12.730 -1.243 -8.954 1.00 0.00 C ATOM 947 CG MET A 900 12.775 -0.387 -10.218 1.00 0.00 C ATOM 948 SD MET A 900 13.799 -1.095 -11.524 1.00 0.00 S ATOM 949 CE MET A 900 13.544 0.113 -12.830 1.00 0.00 C ATOM 0 H MET A 900 13.442 0.523 -7.036 1.00 0.00 H new ATOM 0 HA MET A 900 10.903 -0.404 -8.241 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.746 -1.400 -8.593 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.324 -2.224 -9.202 1.00 0.00 H new ATOM 0 HG2 MET A 900 11.761 -0.253 -10.594 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.155 0.603 -9.965 1.00 0.00 H new ATOM 0 HE1 MET A 900 14.112 -0.180 -13.713 1.00 0.00 H new ATOM 0 HE2 MET A 900 12.484 0.160 -13.080 1.00 0.00 H new ATOM 0 HE3 MET A 900 13.881 1.092 -12.490 1.00 0.00 H new ATOM 959 N ALA A 901 12.465 -1.372 -5.616 1.00 0.00 N ATOM 960 CA ALA A 901 12.387 -2.195 -4.436 1.00 0.00 C ATOM 961 C ALA A 901 12.482 -1.325 -3.194 1.00 0.00 C ATOM 962 O ALA A 901 13.237 -0.344 -3.179 1.00 0.00 O ATOM 963 CB ALA A 901 13.485 -3.239 -4.447 1.00 0.00 C ATOM 0 H ALA A 901 13.155 -0.623 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 901 11.428 -2.713 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 901 13.413 -3.853 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 901 13.377 -3.871 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 901 14.456 -2.745 -4.472 1.00 0.00 H new ATOM 969 N ALA A 902 11.745 -1.693 -2.173 1.00 0.00 N ATOM 970 CA ALA A 902 11.648 -0.927 -0.944 1.00 0.00 C ATOM 971 C ALA A 902 12.897 -1.051 -0.096 1.00 0.00 C ATOM 972 O ALA A 902 13.286 -2.160 0.282 1.00 0.00 O ATOM 973 CB ALA A 902 10.450 -1.393 -0.130 1.00 0.00 C ATOM 0 H ALA A 902 11.185 -2.546 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 902 11.529 0.119 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.387 -0.812 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.539 -1.253 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.565 -2.449 0.115 1.00 0.00 H new ATOM 979 N PRO A 903 13.563 0.060 0.192 1.00 0.00 N ATOM 980 CA PRO A 903 14.667 0.056 1.104 1.00 0.00 C ATOM 981 C PRO A 903 14.134 0.094 2.547 1.00 0.00 C ATOM 982 O PRO A 903 12.962 0.454 2.775 1.00 0.00 O ATOM 983 CB PRO A 903 15.451 1.336 0.766 1.00 0.00 C ATOM 984 CG PRO A 903 14.548 2.182 -0.077 1.00 0.00 C ATOM 985 CD PRO A 903 13.281 1.402 -0.339 1.00 0.00 C ATOM 0 HA PRO A 903 15.295 -0.831 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.740 1.864 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 903 16.370 1.097 0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.320 3.118 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 903 15.037 2.441 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.425 1.855 0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 903 13.048 1.368 -1.403 1.00 0.00 H new ATOM 993 N PRO A 904 14.941 -0.293 3.533 1.00 0.00 N ATOM 994 CA PRO A 904 14.514 -0.283 4.917 1.00 0.00 C ATOM 995 C PRO A 904 14.275 1.145 5.402 1.00 0.00 C ATOM 996 O PRO A 904 14.952 2.076 4.964 1.00 0.00 O ATOM 997 CB PRO A 904 15.673 -0.933 5.683 1.00 0.00 C ATOM 998 CG PRO A 904 16.850 -0.840 4.777 1.00 0.00 C ATOM 999 CD PRO A 904 16.320 -0.764 3.372 1.00 0.00 C ATOM 0 HA PRO A 904 13.573 -0.814 5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 904 15.860 -0.416 6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.448 -1.971 5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.448 0.041 5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.499 -1.707 4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.907 -0.077 2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.354 -1.736 2.880 1.00 0.00 H new ATOM 1007 N GLU A 905 13.307 1.293 6.276 1.00 0.00 N ATOM 1008 CA GLU A 905 12.893 2.581 6.859 1.00 0.00 C ATOM 1009 C GLU A 905 14.092 3.327 7.395 1.00 0.00 C ATOM 1010 O GLU A 905 14.254 4.516 7.154 1.00 0.00 O ATOM 1011 CB GLU A 905 11.907 2.394 8.036 1.00 0.00 C ATOM 1012 CG GLU A 905 10.748 1.437 7.805 1.00 0.00 C ATOM 1013 CD GLU A 905 11.193 -0.002 7.773 1.00 0.00 C ATOM 1014 OE1 GLU A 905 11.525 -0.553 8.839 1.00 0.00 O ATOM 1015 OE2 GLU A 905 11.303 -0.573 6.678 1.00 0.00 O ATOM 0 H GLU A 905 12.759 0.505 6.622 1.00 0.00 H new ATOM 0 HA GLU A 905 12.407 3.138 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 905 12.471 2.045 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 905 11.497 3.370 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 905 10.008 1.569 8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 905 10.257 1.684 6.864 1.00 0.00 H new ATOM 1022 N GLU A 906 14.936 2.586 8.089 1.00 0.00 N ATOM 1023 CA GLU A 906 16.134 3.099 8.749 1.00 0.00 C ATOM 1024 C GLU A 906 17.226 3.523 7.768 1.00 0.00 C ATOM 1025 O GLU A 906 18.193 4.180 8.152 1.00 0.00 O ATOM 1026 CB GLU A 906 16.630 2.072 9.756 1.00 0.00 C ATOM 1027 CG GLU A 906 16.843 0.688 9.173 1.00 0.00 C ATOM 1028 CD GLU A 906 16.939 -0.356 10.239 1.00 0.00 C ATOM 1029 OE1 GLU A 906 15.876 -0.763 10.757 1.00 0.00 O ATOM 1030 OE2 GLU A 906 18.059 -0.795 10.576 1.00 0.00 O ATOM 0 H GLU A 906 14.808 1.582 8.216 1.00 0.00 H new ATOM 0 HA GLU A 906 15.864 4.014 9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 906 17.569 2.423 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 906 15.912 2.004 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 906 16.020 0.446 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 906 17.755 0.682 8.575 1.00 0.00 H new ATOM 1037 N MET A 907 17.076 3.145 6.520 1.00 0.00 N ATOM 1038 CA MET A 907 17.966 3.612 5.490 1.00 0.00 C ATOM 1039 C MET A 907 17.381 4.876 4.965 1.00 0.00 C ATOM 1040 O MET A 907 16.161 4.956 4.729 1.00 0.00 O ATOM 1041 CB MET A 907 18.103 2.598 4.356 1.00 0.00 C ATOM 1042 CG MET A 907 18.926 3.074 3.158 1.00 0.00 C ATOM 1043 SD MET A 907 20.619 3.507 3.589 1.00 0.00 S ATOM 1044 CE MET A 907 21.239 4.044 1.992 1.00 0.00 C ATOM 0 H MET A 907 16.343 2.514 6.196 1.00 0.00 H new ATOM 0 HA MET A 907 18.964 3.763 5.901 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.559 1.691 4.753 1.00 0.00 H new ATOM 0 HB3 MET A 907 17.106 2.328 4.008 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.940 2.291 2.400 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.438 3.941 2.712 1.00 0.00 H new ATOM 0 HE1 MET A 907 22.282 4.347 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 907 21.165 3.224 1.278 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.648 4.888 1.637 1.00 0.00 H new ATOM 1054 N GLN A 908 18.192 5.850 4.806 1.00 0.00 N ATOM 1055 CA GLN A 908 17.708 7.099 4.343 1.00 0.00 C ATOM 1056 C GLN A 908 17.740 7.168 2.859 1.00 0.00 C ATOM 1057 O GLN A 908 18.623 6.606 2.202 1.00 0.00 O ATOM 1058 CB GLN A 908 18.417 8.292 4.950 1.00 0.00 C ATOM 1059 CG GLN A 908 18.211 8.441 6.444 1.00 0.00 C ATOM 1060 CD GLN A 908 18.723 9.765 6.951 1.00 0.00 C ATOM 1061 OE1 GLN A 908 17.886 10.756 6.898 1.00 0.00 O flip ATOM 1062 NE2 GLN A 908 19.877 9.894 7.362 1.00 0.00 N flip ATOM 0 H GLN A 908 19.195 5.811 4.988 1.00 0.00 H new ATOM 0 HA GLN A 908 16.673 7.158 4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 908 19.485 8.208 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 908 18.069 9.198 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 908 17.150 8.349 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.722 7.631 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 908 20.502 9.089 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 908 20.207 10.806 7.677 1.00 0.00 H new ATOM 1071 N TRP A 909 16.791 7.840 2.353 1.00 0.00 N ATOM 1072 CA TRP A 909 16.619 8.031 0.950 1.00 0.00 C ATOM 1073 C TRP A 909 16.072 9.409 0.757 1.00 0.00 C ATOM 1074 O TRP A 909 15.286 9.891 1.583 1.00 0.00 O ATOM 1075 CB TRP A 909 15.665 6.972 0.357 1.00 0.00 C ATOM 1076 CG TRP A 909 15.366 7.170 -1.106 1.00 0.00 C ATOM 1077 CD1 TRP A 909 16.066 6.687 -2.171 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.281 7.927 -1.650 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.478 7.109 -3.346 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.380 7.869 -3.043 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.240 8.646 -1.077 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.473 8.509 -3.871 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.342 9.282 -1.894 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.460 9.209 -3.278 1.00 0.00 C ATOM 0 H TRP A 909 16.074 8.298 2.916 1.00 0.00 H new ATOM 0 HA TRP A 909 17.571 7.919 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 909 16.103 5.984 0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.729 6.988 0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.948 6.067 -2.105 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.807 6.891 -4.286 1.00 0.00 H new ATOM 0 HE3 TRP A 909 13.140 8.703 -0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.563 8.457 -4.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.532 9.847 -1.457 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.735 9.717 -3.897 1.00 0.00 H new ATOM 1095 N PHE A 910 16.475 10.045 -0.291 1.00 0.00 N ATOM 1096 CA PHE A 910 16.071 11.380 -0.553 1.00 0.00 C ATOM 1097 C PHE A 910 15.659 11.466 -2.004 1.00 0.00 C ATOM 1098 O PHE A 910 16.295 10.843 -2.880 1.00 0.00 O ATOM 1099 CB PHE A 910 17.220 12.356 -0.231 1.00 0.00 C ATOM 1100 CG PHE A 910 17.783 12.187 1.158 1.00 0.00 C ATOM 1101 CD1 PHE A 910 17.089 12.638 2.260 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.997 11.545 1.353 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.591 12.462 3.533 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.501 11.362 2.624 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.795 11.825 3.713 1.00 0.00 C ATOM 0 H PHE A 910 17.099 9.648 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 910 15.228 11.659 0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 910 18.020 12.215 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.860 13.378 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.140 13.136 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.554 11.185 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 910 17.038 12.825 4.387 1.00 0.00 H new ATOM 0 HE2 PHE A 910 20.446 10.858 2.765 1.00 0.00 H new ATOM 0 HZ PHE A 910 19.189 11.687 4.709 1.00 0.00 H new ATOM 1115 N CYS A 911 14.598 12.186 -2.254 1.00 0.00 N ATOM 1116 CA CYS A 911 14.041 12.328 -3.577 1.00 0.00 C ATOM 1117 C CYS A 911 14.978 13.122 -4.502 1.00 0.00 C ATOM 1118 O CYS A 911 15.917 13.759 -4.028 1.00 0.00 O ATOM 1119 CB CYS A 911 12.678 13.016 -3.445 1.00 0.00 C ATOM 1120 SG CYS A 911 12.693 14.639 -2.624 1.00 0.00 S ATOM 0 H CYS A 911 14.087 12.699 -1.535 1.00 0.00 H new ATOM 0 HA CYS A 911 13.921 11.345 -4.032 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.254 13.137 -4.442 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.010 12.356 -2.893 1.00 0.00 H new ATOM 0 HG CYS A 911 11.852 14.632 -1.633 1.00 0.00 H new ATOM 1125 N PRO A 912 14.735 13.109 -5.845 1.00 0.00 N ATOM 1126 CA PRO A 912 15.518 13.896 -6.826 1.00 0.00 C ATOM 1127 C PRO A 912 15.545 15.416 -6.511 1.00 0.00 C ATOM 1128 O PRO A 912 16.278 16.184 -7.137 1.00 0.00 O ATOM 1129 CB PRO A 912 14.796 13.637 -8.163 1.00 0.00 C ATOM 1130 CG PRO A 912 13.482 13.040 -7.787 1.00 0.00 C ATOM 1131 CD PRO A 912 13.735 12.273 -6.533 1.00 0.00 C ATOM 0 HA PRO A 912 16.566 13.597 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 912 14.662 14.562 -8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.370 12.960 -8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 912 12.731 13.814 -7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.107 12.388 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.828 12.154 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.115 11.272 -6.739 1.00 0.00 H new ATOM 1139 N LYS A 913 14.735 15.834 -5.564 1.00 0.00 N ATOM 1140 CA LYS A 913 14.747 17.192 -5.091 1.00 0.00 C ATOM 1141 C LYS A 913 15.754 17.303 -3.951 1.00 0.00 C ATOM 1142 O LYS A 913 16.731 18.063 -4.021 1.00 0.00 O ATOM 1143 CB LYS A 913 13.375 17.588 -4.550 1.00 0.00 C ATOM 1144 CG LYS A 913 12.237 17.627 -5.551 1.00 0.00 C ATOM 1145 CD LYS A 913 12.420 18.723 -6.575 1.00 0.00 C ATOM 1146 CE LYS A 913 11.152 18.935 -7.385 1.00 0.00 C ATOM 1147 NZ LYS A 913 10.021 19.392 -6.537 1.00 0.00 N ATOM 0 H LYS A 913 14.049 15.237 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 913 15.011 17.849 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.107 16.890 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.460 18.574 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 913 12.168 16.665 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 913 11.295 17.778 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 913 12.694 19.651 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 913 13.243 18.467 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 913 11.340 19.671 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.879 18.004 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 9.314 19.872 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 9.583 18.572 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 10.373 20.052 -5.815 1.00 0.00 H new ATOM 1161 N CYS A 914 15.539 16.496 -2.935 1.00 0.00 N ATOM 1162 CA CYS A 914 16.317 16.553 -1.735 1.00 0.00 C ATOM 1163 C CYS A 914 17.716 15.977 -1.867 1.00 0.00 C ATOM 1164 O CYS A 914 18.648 16.553 -1.365 1.00 0.00 O ATOM 1165 CB CYS A 914 15.544 15.936 -0.582 1.00 0.00 C ATOM 1166 SG CYS A 914 14.095 16.919 -0.087 1.00 0.00 S ATOM 0 H CYS A 914 14.813 15.780 -2.927 1.00 0.00 H new ATOM 0 HA CYS A 914 16.485 17.609 -1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.217 14.936 -0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.209 15.823 0.274 1.00 0.00 H new ATOM 0 HG CYS A 914 13.053 16.146 -0.008 1.00 0.00 H new ATOM 1171 N ALA A 915 17.867 14.892 -2.572 1.00 0.00 N ATOM 1172 CA ALA A 915 19.183 14.272 -2.728 1.00 0.00 C ATOM 1173 C ALA A 915 20.087 15.160 -3.561 1.00 0.00 C ATOM 1174 O ALA A 915 21.300 15.213 -3.379 1.00 0.00 O ATOM 1175 CB ALA A 915 19.048 12.909 -3.373 1.00 0.00 C ATOM 0 H ALA A 915 17.108 14.408 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 915 19.629 14.148 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.035 12.459 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.426 12.270 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.586 13.015 -4.355 1.00 0.00 H new ATOM 1181 N ASN A 916 19.450 15.922 -4.402 1.00 0.00 N ATOM 1182 CA ASN A 916 20.104 16.795 -5.355 1.00 0.00 C ATOM 1183 C ASN A 916 20.767 17.953 -4.637 1.00 0.00 C ATOM 1184 O ASN A 916 21.942 18.250 -4.870 1.00 0.00 O ATOM 1185 CB ASN A 916 19.061 17.320 -6.342 1.00 0.00 C ATOM 1186 CG ASN A 916 19.615 18.210 -7.434 1.00 0.00 C ATOM 1187 OD1 ASN A 916 19.718 19.418 -7.277 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.920 17.628 -8.557 1.00 0.00 N ATOM 0 H ASN A 916 18.432 15.960 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 916 20.872 16.238 -5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 916 18.558 16.471 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.304 17.876 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 916 20.258 18.183 -9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 916 19.821 16.617 -8.651 1.00 0.00 H new ATOM 1195 N LYS A 917 20.019 18.546 -3.709 1.00 0.00 N ATOM 1196 CA LYS A 917 20.447 19.732 -2.968 1.00 0.00 C ATOM 1197 C LYS A 917 21.609 19.411 -2.020 1.00 0.00 C ATOM 1198 O LYS A 917 22.450 20.264 -1.747 1.00 0.00 O ATOM 1199 CB LYS A 917 19.250 20.333 -2.194 1.00 0.00 C ATOM 1200 CG LYS A 917 18.802 19.504 -1.011 1.00 0.00 C ATOM 1201 CD LYS A 917 17.441 19.901 -0.473 1.00 0.00 C ATOM 1202 CE LYS A 917 17.087 19.064 0.752 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.662 19.185 1.145 1.00 0.00 N ATOM 0 H LYS A 917 19.091 18.214 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 917 20.808 20.471 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 917 19.520 21.329 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 917 18.411 20.452 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.776 18.454 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.540 19.595 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 917 17.441 20.959 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 917 16.684 19.765 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.314 18.018 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.716 19.370 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.557 18.940 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 15.341 20.162 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.087 18.538 0.569 1.00 0.00 H new ATOM 1217 N ILE A 918 21.664 18.166 -1.559 1.00 0.00 N ATOM 1218 CA ILE A 918 22.696 17.723 -0.622 1.00 0.00 C ATOM 1219 C ILE A 918 24.054 17.723 -1.308 1.00 0.00 C ATOM 1220 O ILE A 918 25.040 18.228 -0.782 1.00 0.00 O ATOM 1221 CB ILE A 918 22.410 16.284 -0.098 1.00 0.00 C ATOM 1222 CG1 ILE A 918 20.996 16.196 0.488 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.455 15.872 0.943 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.628 14.829 1.034 1.00 0.00 C ATOM 0 H ILE A 918 21.000 17.438 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 918 22.692 18.415 0.220 1.00 0.00 H new ATOM 0 HB ILE A 918 22.475 15.593 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 918 20.901 16.931 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.278 16.471 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.238 14.864 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.447 15.892 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.425 16.566 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.612 14.856 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.687 14.090 0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.320 14.557 1.831 1.00 0.00 H new