USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 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 -162:sc= 1.82 USER MOD Set 1.2: A 873 CYS SG : rot -63:sc= -0.762 USER MOD Set 1.3: A 882 MET CE :methyl -133:sc= -0.386 (180deg=-0.635) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -0.31 K(o=-3.4,f=-6.2!) USER MOD Set 1.5: A 896 CYS SG : rot -142:sc= -3.81! USER MOD Set 2.1: A 885 CYS SG : rot 153:sc= 0.288! USER MOD Set 2.2: A 888 CYS SG : rot -55:sc= 1.19 USER MOD Set 2.3: A 892 TYR OH : rot 50:sc= 1.45 USER MOD Set 2.4: A 911 CYS SG : rot -116:sc= 1.47 USER MOD Set 2.5: A 913 LYS NZ :NH3+ 164:sc= 0.0569 (180deg=0) USER MOD Set 2.6: A 914 CYS SG : rot 88:sc= -1.14! USER MOD Set 2.7: A 917 LYS NZ :NH3+ -151:sc= 1.8 (180deg=1.06) USER MOD Set 3.1: A 857 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 874 ASN : amide:sc= -0.497 K(o=-0.5,f=-2.3) USER MOD Single : A 865 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.8) USER MOD Single : A 866 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 875 LYS NZ :NH3+ 176:sc= -0.149 (180deg=-0.198) USER MOD Single : A 880 SER OG : rot 180:sc= 0.029 USER MOD Single : A 900 MET CE :methyl -167:sc= -0.0396 (180deg=-0.291) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.015) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 1 ALA N :NH3+ -148:sc= 2.46 (180deg=-0.0798) USER MOD Single : P 3 THR OG1 : rot 130:sc= 0 USER MOD Single : P 5 GLN : amide:sc= -0.681 K(o=-0.68,f=-1.4) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 12.661 6.035 4.829 1.00 0.00 N ATOM 2 CA ALA P 1 12.070 5.501 3.613 1.00 0.00 C ATOM 3 C ALA P 1 10.945 4.594 3.968 1.00 0.00 C ATOM 4 O ALA P 1 11.136 3.415 4.214 1.00 0.00 O ATOM 5 CB ALA P 1 13.080 4.737 2.766 1.00 0.00 C ATOM 0 H1 ALA P 1 13.020 6.994 4.648 1.00 0.00 H new ATOM 0 H2 ALA P 1 11.941 6.071 5.578 1.00 0.00 H new ATOM 0 H3 ALA P 1 13.445 5.423 5.132 1.00 0.00 H new ATOM 0 HA ALA P 1 11.714 6.346 3.023 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.590 4.358 1.869 1.00 0.00 H new ATOM 0 HB2 ALA P 1 13.894 5.404 2.481 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.480 3.902 3.341 1.00 0.00 H new ATOM 13 N ARG P 2 9.790 5.157 4.072 1.00 0.00 N ATOM 14 CA ARG P 2 8.627 4.398 4.340 1.00 0.00 C ATOM 15 C ARG P 2 8.036 4.062 2.993 1.00 0.00 C ATOM 16 O ARG P 2 7.952 4.941 2.125 1.00 0.00 O ATOM 17 CB ARG P 2 7.643 5.238 5.131 1.00 0.00 C ATOM 18 CG ARG P 2 6.714 4.438 6.006 1.00 0.00 C ATOM 19 CD ARG P 2 5.677 5.332 6.657 1.00 0.00 C ATOM 20 NE ARG P 2 6.278 6.470 7.368 1.00 0.00 N ATOM 21 CZ ARG P 2 5.716 7.686 7.461 1.00 0.00 C ATOM 22 NH1 ARG P 2 4.479 7.875 7.023 1.00 0.00 N ATOM 23 NH2 ARG P 2 6.374 8.688 8.042 1.00 0.00 N ATOM 0 H ARG P 2 9.630 6.159 3.973 1.00 0.00 H new ATOM 0 HA ARG P 2 8.852 3.502 4.919 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.199 5.938 5.755 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.049 5.832 4.437 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.217 3.672 5.410 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.288 3.921 6.775 1.00 0.00 H new ATOM 0 HD2 ARG P 2 4.994 5.705 5.894 1.00 0.00 H new ATOM 0 HD3 ARG P 2 5.083 4.744 7.357 1.00 0.00 H new ATOM 0 HE ARG P 2 7.181 6.326 7.820 1.00 0.00 H new ATOM 0 HH11 ARG P 2 3.957 7.098 6.617 1.00 0.00 H new ATOM 0 HH12 ARG P 2 4.049 8.797 7.092 1.00 0.00 H new ATOM 0 HH21 ARG P 2 7.309 8.533 8.419 1.00 0.00 H new ATOM 0 HH22 ARG P 2 5.943 9.610 8.110 1.00 0.00 H new ATOM 37 N THR P 3 7.692 2.838 2.785 1.00 0.00 N ATOM 38 CA THR P 3 7.141 2.424 1.528 1.00 0.00 C ATOM 39 C THR P 3 5.760 1.847 1.720 1.00 0.00 C ATOM 40 O THR P 3 5.519 1.110 2.681 1.00 0.00 O ATOM 41 CB THR P 3 8.057 1.395 0.848 1.00 0.00 C ATOM 42 OG1 THR P 3 8.375 0.346 1.779 1.00 0.00 O ATOM 43 CG2 THR P 3 9.340 2.054 0.363 1.00 0.00 C ATOM 0 H THR P 3 7.782 2.093 3.475 1.00 0.00 H new ATOM 0 HA THR P 3 7.066 3.300 0.884 1.00 0.00 H new ATOM 0 HB THR P 3 7.535 0.978 -0.013 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.207 -0.524 1.361 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.974 1.308 -0.115 1.00 0.00 H new ATOM 0 HG22 THR P 3 9.098 2.838 -0.355 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.869 2.489 1.211 1.00 0.00 H new ATOM 82 N GLN P 5 1.911 0.753 -0.574 1.00 0.00 N ATOM 83 CA GLN P 5 1.271 0.510 -1.830 1.00 0.00 C ATOM 84 C GLN P 5 -0.213 0.372 -1.593 1.00 0.00 C ATOM 85 O GLN P 5 -0.636 -0.422 -0.750 1.00 0.00 O ATOM 86 CB GLN P 5 1.797 -0.747 -2.486 1.00 0.00 C ATOM 87 CG GLN P 5 1.328 -0.855 -3.904 1.00 0.00 C ATOM 88 CD GLN P 5 1.710 -2.125 -4.569 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.731 -2.740 -4.259 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.921 -2.508 -5.502 1.00 0.00 N ATOM 0 HA GLN P 5 1.480 1.346 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.887 -0.745 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.466 -1.620 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN P 5 0.243 -0.757 -3.926 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.735 -0.021 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN P 5 0.087 -1.963 -5.721 1.00 0.00 H new ATOM 0 HE22 GLN P 5 1.126 -3.358 -6.027 1.00 0.00 H new ATOM 99 N THR P 6 -0.990 1.154 -2.291 1.00 0.00 N ATOM 100 CA THR P 6 -2.427 1.130 -2.158 1.00 0.00 C ATOM 101 C THR P 6 -2.997 -0.176 -2.719 1.00 0.00 C ATOM 102 O THR P 6 -3.755 -0.887 -2.049 1.00 0.00 O ATOM 103 CB THR P 6 -3.018 2.300 -2.943 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.389 3.518 -2.534 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.523 2.387 -2.751 1.00 0.00 C ATOM 0 H THR P 6 -0.646 1.830 -2.972 1.00 0.00 H new ATOM 0 HA THR P 6 -2.684 1.207 -1.102 1.00 0.00 H new ATOM 0 HB THR P 6 -2.830 2.136 -4.004 1.00 0.00 H new ATOM 0 HG1 THR P 6 -2.768 4.267 -3.039 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.915 3.229 -3.322 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.988 1.465 -3.099 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.747 2.530 -1.694 1.00 0.00 H new ATOM 301 N TYR A 857 0.388 19.278 -2.730 1.00 0.00 N ATOM 302 CA TYR A 857 0.410 17.873 -3.106 1.00 0.00 C ATOM 303 C TYR A 857 -0.526 16.938 -2.337 1.00 0.00 C ATOM 304 O TYR A 857 -1.127 16.061 -2.926 1.00 0.00 O ATOM 305 CB TYR A 857 1.835 17.368 -3.231 1.00 0.00 C ATOM 306 CG TYR A 857 2.575 18.073 -4.361 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.458 17.628 -5.663 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.342 19.209 -4.130 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.066 18.278 -6.704 1.00 0.00 C ATOM 310 CE2 TYR A 857 3.968 19.863 -5.173 1.00 0.00 C ATOM 311 CZ TYR A 857 3.820 19.391 -6.457 1.00 0.00 C ATOM 312 OH TYR A 857 4.413 20.045 -7.493 1.00 0.00 O ATOM 0 HA TYR A 857 -0.046 17.841 -4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.364 17.529 -2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.828 16.293 -3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.872 16.744 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 857 3.450 19.585 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 857 2.950 17.913 -7.714 1.00 0.00 H new ATOM 0 HE2 TYR A 857 4.570 20.739 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 857 4.912 20.816 -7.151 1.00 0.00 H new ATOM 322 N VAL A 858 -0.665 17.106 -1.078 1.00 0.00 N ATOM 323 CA VAL A 858 -1.592 16.290 -0.348 1.00 0.00 C ATOM 324 C VAL A 858 -2.956 16.973 -0.289 1.00 0.00 C ATOM 325 O VAL A 858 -3.140 18.015 0.348 1.00 0.00 O ATOM 326 CB VAL A 858 -1.067 15.853 1.055 1.00 0.00 C ATOM 327 CG1 VAL A 858 -0.627 17.033 1.887 1.00 0.00 C ATOM 328 CG2 VAL A 858 -2.108 15.020 1.799 1.00 0.00 C ATOM 0 H VAL A 858 -0.158 17.794 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.705 15.353 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 858 -0.189 15.229 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -0.269 16.682 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 858 0.176 17.561 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -1.470 17.709 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -1.714 14.730 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -3.015 15.609 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -2.339 14.126 1.221 1.00 0.00 H new ATOM 338 N ILE A 859 -3.883 16.413 -1.008 1.00 0.00 N ATOM 339 CA ILE A 859 -5.235 16.921 -1.095 1.00 0.00 C ATOM 340 C ILE A 859 -6.160 15.902 -0.471 1.00 0.00 C ATOM 341 O ILE A 859 -5.720 14.821 -0.128 1.00 0.00 O ATOM 342 CB ILE A 859 -5.660 17.190 -2.571 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.585 15.899 -3.414 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.797 18.294 -3.178 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.034 16.068 -4.853 1.00 0.00 C ATOM 0 H ILE A 859 -3.725 15.573 -1.565 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.290 17.873 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.697 17.525 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.558 15.533 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.200 15.133 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.105 18.471 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.919 19.210 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.751 17.990 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -5.950 15.115 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.071 16.403 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.404 16.808 -5.346 1.00 0.00 H new ATOM 357 N ARG A 860 -7.399 16.225 -0.278 1.00 0.00 N ATOM 358 CA ARG A 860 -8.306 15.254 0.294 1.00 0.00 C ATOM 359 C ARG A 860 -9.342 14.836 -0.719 1.00 0.00 C ATOM 360 O ARG A 860 -9.623 15.571 -1.666 1.00 0.00 O ATOM 361 CB ARG A 860 -8.969 15.766 1.579 1.00 0.00 C ATOM 362 CG ARG A 860 -9.777 17.035 1.407 1.00 0.00 C ATOM 363 CD ARG A 860 -10.420 17.452 2.710 1.00 0.00 C ATOM 364 NE ARG A 860 -11.131 18.717 2.575 1.00 0.00 N ATOM 365 CZ ARG A 860 -11.377 19.571 3.571 1.00 0.00 C ATOM 366 NH1 ARG A 860 -10.990 19.285 4.803 1.00 0.00 N ATOM 367 NH2 ARG A 860 -12.018 20.710 3.328 1.00 0.00 N ATOM 0 H ARG A 860 -7.810 17.132 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 860 -7.715 14.380 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.621 14.986 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.195 15.942 2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -9.131 17.835 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -10.547 16.880 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.113 16.678 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -9.655 17.544 3.481 1.00 0.00 H new ATOM 0 HE ARG A 860 -11.467 18.970 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -10.502 18.410 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -11.179 19.940 5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -12.322 20.932 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -12.206 21.362 4.090 1.00 0.00 H new ATOM 381 N ASP A 861 -9.867 13.652 -0.562 1.00 0.00 N ATOM 382 CA ASP A 861 -10.933 13.185 -1.424 1.00 0.00 C ATOM 383 C ASP A 861 -12.272 13.393 -0.746 1.00 0.00 C ATOM 384 O ASP A 861 -12.335 13.931 0.366 1.00 0.00 O ATOM 385 CB ASP A 861 -10.755 11.704 -1.877 1.00 0.00 C ATOM 386 CG ASP A 861 -10.762 10.648 -0.770 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.370 10.862 0.294 1.00 0.00 O ATOM 388 OD2 ASP A 861 -10.148 9.574 -0.962 1.00 0.00 O ATOM 0 H ASP A 861 -9.577 12.987 0.155 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.892 13.780 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -11.551 11.465 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.813 11.624 -2.420 1.00 0.00 H new ATOM 393 N GLU A 862 -13.326 12.950 -1.388 1.00 0.00 N ATOM 394 CA GLU A 862 -14.687 13.119 -0.889 1.00 0.00 C ATOM 395 C GLU A 862 -14.975 12.276 0.359 1.00 0.00 C ATOM 396 O GLU A 862 -15.982 12.492 1.043 1.00 0.00 O ATOM 397 CB GLU A 862 -15.669 12.767 -1.979 1.00 0.00 C ATOM 398 CG GLU A 862 -15.549 11.336 -2.465 1.00 0.00 C ATOM 399 CD GLU A 862 -16.462 11.063 -3.607 1.00 0.00 C ATOM 400 OE1 GLU A 862 -16.088 11.349 -4.757 1.00 0.00 O ATOM 401 OE2 GLU A 862 -17.591 10.603 -3.384 1.00 0.00 O ATOM 0 H GLU A 862 -13.272 12.457 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.796 14.164 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.682 12.933 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.521 13.442 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.520 11.140 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.777 10.654 -1.646 1.00 0.00 H new ATOM 408 N TRP A 863 -14.120 11.323 0.644 1.00 0.00 N ATOM 409 CA TRP A 863 -14.304 10.470 1.792 1.00 0.00 C ATOM 410 C TRP A 863 -13.488 11.012 2.949 1.00 0.00 C ATOM 411 O TRP A 863 -13.687 10.640 4.114 1.00 0.00 O ATOM 412 CB TRP A 863 -13.905 9.032 1.476 1.00 0.00 C ATOM 413 CG TRP A 863 -14.561 8.487 0.257 1.00 0.00 C ATOM 414 CD1 TRP A 863 -15.868 8.528 -0.037 1.00 0.00 C ATOM 415 CD2 TRP A 863 -13.929 7.807 -0.819 1.00 0.00 C ATOM 416 NE1 TRP A 863 -16.107 7.921 -1.248 1.00 0.00 N ATOM 417 CE2 TRP A 863 -14.923 7.468 -1.744 1.00 0.00 C ATOM 418 CE3 TRP A 863 -12.621 7.464 -1.082 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -14.640 6.792 -2.924 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -12.330 6.792 -2.250 1.00 0.00 C ATOM 421 CH2 TRP A 863 -13.337 6.463 -3.160 1.00 0.00 C ATOM 0 H TRP A 863 -13.286 11.119 0.093 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.359 10.463 2.065 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -12.823 8.983 1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.155 8.399 2.327 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -16.627 8.975 0.589 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -17.017 7.826 -1.698 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -11.836 7.717 -0.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -15.420 6.537 -3.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -11.308 6.516 -2.464 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -13.079 5.938 -4.068 1.00 0.00 H new ATOM 432 N GLY A 864 -12.567 11.889 2.616 1.00 0.00 N ATOM 433 CA GLY A 864 -11.755 12.544 3.600 1.00 0.00 C ATOM 434 C GLY A 864 -10.356 11.986 3.659 1.00 0.00 C ATOM 435 O GLY A 864 -9.617 12.264 4.602 1.00 0.00 O ATOM 0 H GLY A 864 -12.365 12.163 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.708 13.610 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.224 12.444 4.579 1.00 0.00 H new ATOM 439 N ASN A 865 -9.969 11.222 2.657 1.00 0.00 N ATOM 440 CA ASN A 865 -8.650 10.609 2.661 1.00 0.00 C ATOM 441 C ASN A 865 -7.647 11.559 2.108 1.00 0.00 C ATOM 442 O ASN A 865 -7.975 12.382 1.251 1.00 0.00 O ATOM 443 CB ASN A 865 -8.590 9.319 1.836 1.00 0.00 C ATOM 444 CG ASN A 865 -9.585 8.284 2.264 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.335 7.508 3.182 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.691 8.230 1.594 1.00 0.00 N ATOM 0 H ASN A 865 -10.539 11.011 1.838 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.430 10.361 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.759 9.561 0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.587 8.898 1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.392 7.525 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.862 8.893 0.838 1.00 0.00 H new ATOM 453 N GLN A 866 -6.442 11.474 2.601 1.00 0.00 N ATOM 454 CA GLN A 866 -5.365 12.279 2.091 1.00 0.00 C ATOM 455 C GLN A 866 -4.809 11.629 0.866 1.00 0.00 C ATOM 456 O GLN A 866 -4.399 10.478 0.907 1.00 0.00 O ATOM 457 CB GLN A 866 -4.271 12.474 3.128 1.00 0.00 C ATOM 458 CG GLN A 866 -4.690 13.342 4.280 1.00 0.00 C ATOM 459 CD GLN A 866 -3.629 13.492 5.361 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.955 13.635 6.533 1.00 0.00 O ATOM 461 NE2 GLN A 866 -2.375 13.475 4.988 1.00 0.00 N ATOM 0 H GLN A 866 -6.179 10.849 3.363 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.756 13.266 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -3.964 11.500 3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.399 12.917 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -4.950 14.330 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.592 12.924 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -2.137 13.354 4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -1.635 13.583 5.682 1.00 0.00 H new ATOM 470 N ILE A 867 -4.843 12.335 -0.202 1.00 0.00 N ATOM 471 CA ILE A 867 -4.363 11.857 -1.462 1.00 0.00 C ATOM 472 C ILE A 867 -3.089 12.593 -1.770 1.00 0.00 C ATOM 473 O ILE A 867 -3.065 13.828 -1.761 1.00 0.00 O ATOM 474 CB ILE A 867 -5.384 12.128 -2.604 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.788 11.618 -2.232 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.914 11.487 -3.906 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.857 10.140 -1.932 1.00 0.00 C ATOM 0 H ILE A 867 -5.212 13.285 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.207 10.780 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.445 13.207 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.142 12.170 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.471 11.842 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.641 11.687 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.948 11.905 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.817 10.410 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.882 9.867 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.536 9.576 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.203 9.908 -1.092 1.00 0.00 H new ATOM 489 N TRP A 868 -2.058 11.869 -2.014 1.00 0.00 N ATOM 490 CA TRP A 868 -0.786 12.437 -2.304 1.00 0.00 C ATOM 491 C TRP A 868 -0.555 12.537 -3.780 1.00 0.00 C ATOM 492 O TRP A 868 -0.502 11.527 -4.496 1.00 0.00 O ATOM 493 CB TRP A 868 0.337 11.643 -1.662 1.00 0.00 C ATOM 494 CG TRP A 868 0.581 11.990 -0.241 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.495 12.880 0.209 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.082 11.473 0.918 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.461 12.944 1.575 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.501 12.095 2.036 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.105 10.548 1.120 1.00 0.00 C ATOM 500 CZ2 TRP A 868 0.099 11.821 3.330 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.506 10.279 2.412 1.00 0.00 C ATOM 502 CH2 TRP A 868 -0.902 10.915 3.500 1.00 0.00 C ATOM 0 H TRP A 868 -2.071 10.849 -2.019 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.786 13.442 -1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.104 10.581 -1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.254 11.806 -2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 868 2.157 13.457 -0.420 1.00 0.00 H new ATOM 0 HE1 TRP A 868 2.059 13.533 2.155 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.574 10.052 0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.562 12.308 4.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.299 9.566 2.585 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.238 10.682 4.500 1.00 0.00 H new ATOM 513 N ILE A 869 -0.481 13.740 -4.239 1.00 0.00 N ATOM 514 CA ILE A 869 -0.099 14.018 -5.579 1.00 0.00 C ATOM 515 C ILE A 869 1.414 13.894 -5.616 1.00 0.00 C ATOM 516 O ILE A 869 2.101 14.657 -4.953 1.00 0.00 O ATOM 517 CB ILE A 869 -0.510 15.471 -5.991 1.00 0.00 C ATOM 518 CG1 ILE A 869 -2.027 15.704 -5.857 1.00 0.00 C ATOM 519 CG2 ILE A 869 -0.046 15.807 -7.394 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.878 14.808 -6.708 1.00 0.00 C ATOM 0 H ILE A 869 -0.688 14.570 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.589 13.332 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 869 -0.007 16.142 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -2.311 15.568 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -2.245 16.741 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.350 16.823 -7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.040 15.730 -7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.494 15.110 -8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.930 15.045 -6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.628 14.959 -7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.695 13.768 -6.438 1.00 0.00 H new ATOM 532 N CYS A 870 1.910 12.901 -6.311 1.00 0.00 N ATOM 533 CA CYS A 870 3.327 12.691 -6.432 1.00 0.00 C ATOM 534 C CYS A 870 3.946 13.871 -7.166 1.00 0.00 C ATOM 535 O CYS A 870 3.591 14.125 -8.307 1.00 0.00 O ATOM 536 CB CYS A 870 3.572 11.381 -7.206 1.00 0.00 C ATOM 537 SG CYS A 870 5.297 10.973 -7.628 1.00 0.00 S ATOM 0 H CYS A 870 1.341 12.216 -6.808 1.00 0.00 H new ATOM 0 HA CYS A 870 3.786 12.613 -5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.165 10.559 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 870 2.999 11.424 -8.132 1.00 0.00 H new ATOM 0 HG CYS A 870 5.313 10.080 -8.572 1.00 0.00 H new ATOM 542 N PRO A 871 4.880 14.605 -6.535 1.00 0.00 N ATOM 543 CA PRO A 871 5.529 15.768 -7.154 1.00 0.00 C ATOM 544 C PRO A 871 6.395 15.399 -8.371 1.00 0.00 C ATOM 545 O PRO A 871 6.978 16.275 -9.022 1.00 0.00 O ATOM 546 CB PRO A 871 6.403 16.348 -6.029 1.00 0.00 C ATOM 547 CG PRO A 871 5.867 15.745 -4.774 1.00 0.00 C ATOM 548 CD PRO A 871 5.355 14.392 -5.158 1.00 0.00 C ATOM 0 HA PRO A 871 4.790 16.470 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.453 16.092 -6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.341 17.436 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.645 15.668 -4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.071 16.360 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.138 13.635 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.552 14.061 -4.499 1.00 0.00 H new ATOM 556 N GLY A 872 6.488 14.118 -8.665 1.00 0.00 N ATOM 557 CA GLY A 872 7.232 13.683 -9.807 1.00 0.00 C ATOM 558 C GLY A 872 6.408 13.760 -11.078 1.00 0.00 C ATOM 559 O GLY A 872 6.850 14.329 -12.082 1.00 0.00 O ATOM 0 H GLY A 872 6.055 13.369 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.125 14.298 -9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.568 12.658 -9.653 1.00 0.00 H new ATOM 563 N CYS A 873 5.199 13.237 -11.025 1.00 0.00 N ATOM 564 CA CYS A 873 4.341 13.153 -12.194 1.00 0.00 C ATOM 565 C CYS A 873 3.123 14.070 -12.071 1.00 0.00 C ATOM 566 O CYS A 873 2.429 14.351 -13.062 1.00 0.00 O ATOM 567 CB CYS A 873 3.877 11.717 -12.286 1.00 0.00 C ATOM 568 SG CYS A 873 3.211 11.103 -10.712 1.00 0.00 S ATOM 0 H CYS A 873 4.783 12.859 -10.174 1.00 0.00 H new ATOM 0 HA CYS A 873 4.892 13.467 -13.080 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.112 11.634 -13.058 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.711 11.087 -12.595 1.00 0.00 H new ATOM 0 HG CYS A 873 4.152 11.100 -9.815 1.00 0.00 H new ATOM 573 N ASN A 874 2.862 14.483 -10.841 1.00 0.00 N ATOM 574 CA ASN A 874 1.708 15.281 -10.452 1.00 0.00 C ATOM 575 C ASN A 874 0.435 14.453 -10.504 1.00 0.00 C ATOM 576 O ASN A 874 -0.677 14.988 -10.549 1.00 0.00 O ATOM 577 CB ASN A 874 1.580 16.601 -11.235 1.00 0.00 C ATOM 578 CG ASN A 874 2.700 17.582 -10.929 1.00 0.00 C ATOM 579 OD1 ASN A 874 3.265 17.596 -9.829 1.00 0.00 O ATOM 580 ND2 ASN A 874 3.033 18.403 -11.880 1.00 0.00 N ATOM 0 H ASN A 874 3.472 14.263 -10.054 1.00 0.00 H new ATOM 0 HA ASN A 874 1.872 15.582 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 874 1.575 16.385 -12.303 1.00 0.00 H new ATOM 0 HB3 ASN A 874 0.623 17.066 -11.000 1.00 0.00 H new ATOM 0 HD21 ASN A 874 3.779 19.083 -11.729 1.00 0.00 H new ATOM 0 HD22 ASN A 874 2.549 18.368 -12.777 1.00 0.00 H new ATOM 587 N LYS A 875 0.602 13.142 -10.450 1.00 0.00 N ATOM 588 CA LYS A 875 -0.507 12.220 -10.416 1.00 0.00 C ATOM 589 C LYS A 875 -0.769 11.799 -8.969 1.00 0.00 C ATOM 590 O LYS A 875 0.176 11.645 -8.184 1.00 0.00 O ATOM 591 CB LYS A 875 -0.218 10.978 -11.272 1.00 0.00 C ATOM 592 CG LYS A 875 -0.008 11.259 -12.753 1.00 0.00 C ATOM 593 CD LYS A 875 0.308 9.973 -13.505 1.00 0.00 C ATOM 594 CE LYS A 875 0.505 10.218 -14.994 1.00 0.00 C ATOM 595 NZ LYS A 875 1.635 11.128 -15.262 1.00 0.00 N ATOM 0 H LYS A 875 1.517 12.691 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.386 12.718 -10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.671 10.483 -10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -1.046 10.278 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.903 11.720 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.807 11.971 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.209 9.522 -13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.503 9.259 -13.359 1.00 0.00 H new ATOM 0 HE2 LYS A 875 0.679 9.267 -15.498 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.407 10.640 -15.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 1.776 11.214 -16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 1.428 12.065 -14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 2.498 10.747 -14.825 1.00 0.00 H new ATOM 609 N PRO A 876 -2.039 11.618 -8.597 1.00 0.00 N ATOM 610 CA PRO A 876 -2.433 11.220 -7.234 1.00 0.00 C ATOM 611 C PRO A 876 -2.119 9.747 -6.937 1.00 0.00 C ATOM 612 O PRO A 876 -1.704 8.984 -7.830 1.00 0.00 O ATOM 613 CB PRO A 876 -3.950 11.420 -7.255 1.00 0.00 C ATOM 614 CG PRO A 876 -4.331 11.202 -8.671 1.00 0.00 C ATOM 615 CD PRO A 876 -3.214 11.789 -9.478 1.00 0.00 C ATOM 0 HA PRO A 876 -1.902 11.791 -6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.453 10.713 -6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.224 12.420 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.455 10.141 -8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.280 11.687 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -3.086 11.269 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.394 12.838 -9.712 1.00 0.00 H new ATOM 623 N ASP A 877 -2.295 9.342 -5.697 1.00 0.00 N ATOM 624 CA ASP A 877 -2.115 7.960 -5.337 1.00 0.00 C ATOM 625 C ASP A 877 -3.417 7.233 -5.418 1.00 0.00 C ATOM 626 O ASP A 877 -4.493 7.807 -5.144 1.00 0.00 O ATOM 627 CB ASP A 877 -1.532 7.758 -3.936 1.00 0.00 C ATOM 628 CG ASP A 877 -2.455 8.123 -2.785 1.00 0.00 C ATOM 629 OD1 ASP A 877 -2.545 9.298 -2.428 1.00 0.00 O ATOM 630 OD2 ASP A 877 -3.093 7.209 -2.202 1.00 0.00 O ATOM 0 H ASP A 877 -2.562 9.953 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.395 7.561 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.242 6.713 -3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.622 8.351 -3.851 1.00 0.00 H new ATOM 635 N ASP A 878 -3.336 6.013 -5.860 1.00 0.00 N ATOM 636 CA ASP A 878 -4.491 5.105 -5.882 1.00 0.00 C ATOM 637 C ASP A 878 -4.015 3.700 -6.179 1.00 0.00 C ATOM 638 O ASP A 878 -4.799 2.778 -6.385 1.00 0.00 O ATOM 639 CB ASP A 878 -5.528 5.536 -6.939 1.00 0.00 C ATOM 640 CG ASP A 878 -6.855 4.813 -6.804 1.00 0.00 C ATOM 641 OD1 ASP A 878 -7.679 5.213 -5.950 1.00 0.00 O ATOM 642 OD2 ASP A 878 -7.119 3.855 -7.574 1.00 0.00 O ATOM 0 H ASP A 878 -2.476 5.600 -6.220 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.974 5.140 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -5.697 6.610 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -5.121 5.353 -7.934 1.00 0.00 H new ATOM 647 N GLY A 879 -2.726 3.509 -6.155 1.00 0.00 N ATOM 648 CA GLY A 879 -2.233 2.226 -6.520 1.00 0.00 C ATOM 649 C GLY A 879 -0.776 2.080 -6.326 1.00 0.00 C ATOM 650 O GLY A 879 -0.352 1.552 -5.298 1.00 0.00 O ATOM 0 H GLY A 879 -2.025 4.203 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.748 1.466 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -2.473 2.037 -7.566 1.00 0.00 H new ATOM 654 N SER A 880 -0.027 2.604 -7.286 1.00 0.00 N ATOM 655 CA SER A 880 1.414 2.435 -7.385 1.00 0.00 C ATOM 656 C SER A 880 2.134 2.696 -6.059 1.00 0.00 C ATOM 657 O SER A 880 1.771 3.629 -5.321 1.00 0.00 O ATOM 658 CB SER A 880 1.948 3.365 -8.445 1.00 0.00 C ATOM 659 OG SER A 880 1.157 3.274 -9.620 1.00 0.00 O ATOM 0 H SER A 880 -0.416 3.174 -8.037 1.00 0.00 H new ATOM 0 HA SER A 880 1.606 1.395 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.946 4.390 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 880 2.983 3.111 -8.674 1.00 0.00 H new ATOM 0 HG SER A 880 1.511 3.883 -10.301 1.00 0.00 H new ATOM 665 N PRO A 881 3.171 1.888 -5.755 1.00 0.00 N ATOM 666 CA PRO A 881 3.907 1.987 -4.508 1.00 0.00 C ATOM 667 C PRO A 881 4.536 3.359 -4.344 1.00 0.00 C ATOM 668 O PRO A 881 4.973 3.994 -5.330 1.00 0.00 O ATOM 669 CB PRO A 881 4.971 0.891 -4.609 1.00 0.00 C ATOM 670 CG PRO A 881 4.494 -0.018 -5.683 1.00 0.00 C ATOM 671 CD PRO A 881 3.725 0.840 -6.629 1.00 0.00 C ATOM 0 HA PRO A 881 3.265 1.860 -3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.947 1.311 -4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 881 5.080 0.360 -3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 881 5.331 -0.502 -6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.866 -0.810 -5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 881 4.366 1.259 -7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.939 0.279 -7.134 1.00 0.00 H new ATOM 679 N MET A 882 4.559 3.831 -3.126 1.00 0.00 N ATOM 680 CA MET A 882 5.033 5.154 -2.840 1.00 0.00 C ATOM 681 C MET A 882 6.111 5.094 -1.798 1.00 0.00 C ATOM 682 O MET A 882 6.174 4.140 -1.004 1.00 0.00 O ATOM 683 CB MET A 882 3.898 6.035 -2.309 1.00 0.00 C ATOM 684 CG MET A 882 2.612 5.956 -3.098 1.00 0.00 C ATOM 685 SD MET A 882 1.398 7.152 -2.552 1.00 0.00 S ATOM 686 CE MET A 882 2.046 8.646 -3.299 1.00 0.00 C ATOM 0 H MET A 882 4.250 3.308 -2.307 1.00 0.00 H new ATOM 0 HA MET A 882 5.421 5.580 -3.765 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.692 5.754 -1.276 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.237 7.071 -2.296 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.827 6.118 -4.154 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.195 4.953 -3.008 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.054 9.448 -2.561 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.062 8.466 -3.650 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.417 8.934 -4.141 1.00 0.00 H new ATOM 696 N ILE A 883 6.943 6.092 -1.787 1.00 0.00 N ATOM 697 CA ILE A 883 7.989 6.216 -0.811 1.00 0.00 C ATOM 698 C ILE A 883 7.966 7.649 -0.289 1.00 0.00 C ATOM 699 O ILE A 883 7.652 8.586 -1.043 1.00 0.00 O ATOM 700 CB ILE A 883 9.382 5.839 -1.406 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.463 5.800 -0.318 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.783 6.814 -2.514 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.752 5.161 -0.785 1.00 0.00 C ATOM 0 H ILE A 883 6.916 6.854 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 883 7.819 5.518 0.009 1.00 0.00 H new ATOM 0 HB ILE A 883 9.295 4.840 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.669 6.816 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.083 5.251 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.757 6.531 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.041 6.783 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.837 7.824 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.476 5.164 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.558 4.134 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.153 5.724 -1.628 1.00 0.00 H new ATOM 715 N GLY A 884 8.173 7.809 0.987 1.00 0.00 N ATOM 716 CA GLY A 884 8.140 9.120 1.568 1.00 0.00 C ATOM 717 C GLY A 884 9.517 9.694 1.720 1.00 0.00 C ATOM 718 O GLY A 884 10.424 8.993 2.196 1.00 0.00 O ATOM 0 H GLY A 884 8.366 7.051 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.538 9.780 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.655 9.074 2.543 1.00 0.00 H new ATOM 722 N CYS A 885 9.701 10.943 1.313 1.00 0.00 N ATOM 723 CA CYS A 885 10.973 11.585 1.466 1.00 0.00 C ATOM 724 C CYS A 885 11.156 11.944 2.926 1.00 0.00 C ATOM 725 O CYS A 885 10.192 12.327 3.621 1.00 0.00 O ATOM 726 CB CYS A 885 11.080 12.840 0.577 1.00 0.00 C ATOM 727 SG CYS A 885 12.752 13.623 0.549 1.00 0.00 S ATOM 0 H CYS A 885 8.981 11.519 0.878 1.00 0.00 H new ATOM 0 HA CYS A 885 11.762 10.903 1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 885 10.802 12.572 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.354 13.576 0.922 1.00 0.00 H new ATOM 0 HG CYS A 885 12.916 14.256 -0.574 1.00 0.00 H new ATOM 732 N ASP A 886 12.347 11.793 3.397 1.00 0.00 N ATOM 733 CA ASP A 886 12.664 12.054 4.764 1.00 0.00 C ATOM 734 C ASP A 886 13.297 13.416 4.941 1.00 0.00 C ATOM 735 O ASP A 886 13.742 13.748 6.043 1.00 0.00 O ATOM 736 CB ASP A 886 13.589 10.961 5.324 1.00 0.00 C ATOM 737 CG ASP A 886 12.924 9.607 5.455 1.00 0.00 C ATOM 738 OD1 ASP A 886 11.915 9.486 6.210 1.00 0.00 O ATOM 739 OD2 ASP A 886 13.402 8.619 4.844 1.00 0.00 O ATOM 0 H ASP A 886 13.140 11.481 2.837 1.00 0.00 H new ATOM 0 HA ASP A 886 11.728 12.046 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 886 14.459 10.867 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 886 13.954 11.273 6.303 1.00 0.00 H new ATOM 744 N ASP A 887 13.348 14.212 3.874 1.00 0.00 N ATOM 745 CA ASP A 887 13.985 15.535 3.978 1.00 0.00 C ATOM 746 C ASP A 887 13.017 16.654 3.724 1.00 0.00 C ATOM 747 O ASP A 887 12.805 17.500 4.604 1.00 0.00 O ATOM 748 CB ASP A 887 15.162 15.693 3.008 1.00 0.00 C ATOM 749 CG ASP A 887 15.947 16.999 3.198 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.455 18.087 2.828 1.00 0.00 O ATOM 751 OD2 ASP A 887 17.086 16.958 3.699 1.00 0.00 O ATOM 0 H ASP A 887 12.972 13.981 2.955 1.00 0.00 H new ATOM 0 HA ASP A 887 14.349 15.594 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.841 14.850 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.787 15.650 1.985 1.00 0.00 H new ATOM 756 N CYS A 888 12.416 16.665 2.538 1.00 0.00 N ATOM 757 CA CYS A 888 11.618 17.802 2.142 1.00 0.00 C ATOM 758 C CYS A 888 10.262 17.804 2.790 1.00 0.00 C ATOM 759 O CYS A 888 10.047 18.478 3.811 1.00 0.00 O ATOM 760 CB CYS A 888 11.516 17.961 0.594 1.00 0.00 C ATOM 761 SG CYS A 888 10.775 16.567 -0.318 1.00 0.00 S ATOM 0 H CYS A 888 12.469 15.912 1.852 1.00 0.00 H new ATOM 0 HA CYS A 888 12.150 18.679 2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.933 18.857 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 888 12.518 18.132 0.201 1.00 0.00 H new ATOM 0 HG CYS A 888 11.421 15.474 -0.040 1.00 0.00 H new ATOM 766 N ASP A 889 9.364 17.049 2.239 1.00 0.00 N ATOM 767 CA ASP A 889 8.026 17.065 2.726 1.00 0.00 C ATOM 768 C ASP A 889 7.257 15.762 2.622 1.00 0.00 C ATOM 769 O ASP A 889 6.835 15.220 3.658 1.00 0.00 O ATOM 770 CB ASP A 889 7.204 18.257 2.148 1.00 0.00 C ATOM 771 CG ASP A 889 7.180 18.385 0.624 1.00 0.00 C ATOM 772 OD1 ASP A 889 6.462 17.640 -0.045 1.00 0.00 O ATOM 773 OD2 ASP A 889 7.805 19.327 0.081 1.00 0.00 O ATOM 0 H ASP A 889 9.534 16.418 1.456 1.00 0.00 H new ATOM 0 HA ASP A 889 8.156 17.210 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 889 6.176 18.167 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.604 19.182 2.563 1.00 0.00 H new ATOM 778 N ASP A 890 7.130 15.184 1.450 1.00 0.00 N ATOM 779 CA ASP A 890 6.081 14.168 1.295 1.00 0.00 C ATOM 780 C ASP A 890 6.424 13.008 0.376 1.00 0.00 C ATOM 781 O ASP A 890 7.597 12.752 0.065 1.00 0.00 O ATOM 782 CB ASP A 890 4.708 14.822 0.921 1.00 0.00 C ATOM 783 CG ASP A 890 3.897 15.272 2.144 1.00 0.00 C ATOM 784 OD1 ASP A 890 3.308 14.408 2.822 1.00 0.00 O ATOM 785 OD2 ASP A 890 3.834 16.494 2.447 1.00 0.00 O ATOM 0 H ASP A 890 7.698 15.375 0.624 1.00 0.00 H new ATOM 0 HA ASP A 890 5.996 13.707 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 890 4.887 15.682 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 890 4.118 14.109 0.345 1.00 0.00 H new ATOM 790 N TRP A 891 5.383 12.289 -0.009 1.00 0.00 N ATOM 791 CA TRP A 891 5.469 11.052 -0.750 1.00 0.00 C ATOM 792 C TRP A 891 5.538 11.238 -2.257 1.00 0.00 C ATOM 793 O TRP A 891 4.921 12.134 -2.819 1.00 0.00 O ATOM 794 CB TRP A 891 4.249 10.176 -0.429 1.00 0.00 C ATOM 795 CG TRP A 891 4.139 9.746 1.003 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.714 10.488 2.068 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.434 8.458 1.512 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.755 9.734 3.210 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.195 8.482 2.894 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.887 7.291 0.931 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.398 7.376 3.695 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.092 6.196 1.720 1.00 0.00 C ATOM 803 CH2 TRP A 891 4.848 6.240 3.094 1.00 0.00 C ATOM 0 H TRP A 891 4.423 12.565 0.196 1.00 0.00 H new ATOM 0 HA TRP A 891 6.402 10.581 -0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.346 10.723 -0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 891 4.283 9.287 -1.058 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.393 11.518 2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.499 10.055 4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.076 7.245 -0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.207 7.410 4.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.449 5.280 1.274 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.019 5.357 3.691 1.00 0.00 H new ATOM 814 N TYR A 892 6.281 10.356 -2.884 1.00 0.00 N ATOM 815 CA TYR A 892 6.382 10.248 -4.324 1.00 0.00 C ATOM 816 C TYR A 892 6.081 8.799 -4.688 1.00 0.00 C ATOM 817 O TYR A 892 6.110 7.925 -3.810 1.00 0.00 O ATOM 818 CB TYR A 892 7.809 10.532 -4.798 1.00 0.00 C ATOM 819 CG TYR A 892 8.346 11.944 -4.654 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.726 12.458 -3.424 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.547 12.731 -5.780 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.287 13.711 -3.323 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.095 13.989 -5.687 1.00 0.00 C ATOM 824 CZ TYR A 892 9.468 14.472 -4.457 1.00 0.00 C ATOM 825 OH TYR A 892 10.053 15.705 -4.361 1.00 0.00 O ATOM 0 H TYR A 892 6.852 9.670 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 892 5.696 10.960 -4.784 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.479 9.864 -4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 892 7.870 10.259 -5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.580 11.867 -2.532 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.267 12.347 -6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.584 14.096 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.231 14.591 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 892 10.886 15.633 -3.850 1.00 0.00 H new ATOM 835 N HIS A 893 5.801 8.528 -5.941 1.00 0.00 N ATOM 836 CA HIS A 893 5.630 7.141 -6.385 1.00 0.00 C ATOM 837 C HIS A 893 7.004 6.560 -6.690 1.00 0.00 C ATOM 838 O HIS A 893 7.931 7.300 -7.035 1.00 0.00 O ATOM 839 CB HIS A 893 4.746 6.992 -7.649 1.00 0.00 C ATOM 840 CG HIS A 893 3.321 7.456 -7.543 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.851 8.481 -8.340 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.299 6.983 -6.782 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.553 8.606 -8.036 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.188 7.726 -7.104 1.00 0.00 N ATOM 0 H HIS A 893 5.686 9.230 -6.672 1.00 0.00 H new ATOM 0 HA HIS A 893 5.123 6.612 -5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.222 7.541 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.739 5.940 -7.936 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.381 9.028 -9.018 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.350 6.179 -6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.888 9.327 -8.488 1.00 0.00 H new ATOM 852 N TRP A 894 7.118 5.257 -6.594 1.00 0.00 N ATOM 853 CA TRP A 894 8.361 4.538 -6.850 1.00 0.00 C ATOM 854 C TRP A 894 8.930 4.792 -8.256 1.00 0.00 C ATOM 855 O TRP A 894 10.060 5.299 -8.378 1.00 0.00 O ATOM 856 CB TRP A 894 8.200 3.025 -6.630 1.00 0.00 C ATOM 857 CG TRP A 894 8.222 2.557 -5.224 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.117 3.301 -4.091 1.00 0.00 C ATOM 859 CD2 TRP A 894 8.373 1.203 -4.806 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.186 2.486 -2.992 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.337 1.192 -3.408 1.00 0.00 C ATOM 862 CE3 TRP A 894 8.527 -0.007 -5.491 1.00 0.00 C ATOM 863 CZ2 TRP A 894 8.448 0.019 -2.678 1.00 0.00 C ATOM 864 CZ3 TRP A 894 8.642 -1.171 -4.763 1.00 0.00 C ATOM 865 CH2 TRP A 894 8.600 -1.150 -3.370 1.00 0.00 C ATOM 0 H TRP A 894 6.342 4.649 -6.332 1.00 0.00 H new ATOM 0 HA TRP A 894 9.074 4.934 -6.127 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.257 2.713 -7.079 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.996 2.514 -7.172 1.00 0.00 H new ATOM 0 HD1 TRP A 894 7.997 4.374 -4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.133 2.794 -2.021 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.555 -0.028 -6.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 8.415 0.028 -1.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 8.766 -2.112 -5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 894 8.690 -2.078 -2.825 1.00 0.00 H new ATOM 876 N PRO A 895 8.164 4.489 -9.357 1.00 0.00 N ATOM 877 CA PRO A 895 8.684 4.613 -10.725 1.00 0.00 C ATOM 878 C PRO A 895 8.970 6.064 -11.130 1.00 0.00 C ATOM 879 O PRO A 895 9.670 6.334 -12.115 1.00 0.00 O ATOM 880 CB PRO A 895 7.565 4.025 -11.589 1.00 0.00 C ATOM 881 CG PRO A 895 6.338 4.220 -10.779 1.00 0.00 C ATOM 882 CD PRO A 895 6.758 3.992 -9.372 1.00 0.00 C ATOM 0 HA PRO A 895 9.641 4.104 -10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.493 4.536 -12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.738 2.970 -11.801 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.934 5.224 -10.911 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.556 3.521 -11.075 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.129 4.539 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.699 2.938 -9.099 1.00 0.00 H new ATOM 890 N CYS A 896 8.430 6.981 -10.381 1.00 0.00 N ATOM 891 CA CYS A 896 8.602 8.368 -10.630 1.00 0.00 C ATOM 892 C CYS A 896 9.984 8.846 -10.141 1.00 0.00 C ATOM 893 O CYS A 896 10.640 9.675 -10.790 1.00 0.00 O ATOM 894 CB CYS A 896 7.469 9.089 -9.919 1.00 0.00 C ATOM 895 SG CYS A 896 5.834 8.448 -10.386 1.00 0.00 S ATOM 0 H CYS A 896 7.849 6.774 -9.568 1.00 0.00 H new ATOM 0 HA CYS A 896 8.569 8.582 -11.698 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.600 8.991 -8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.518 10.153 -10.150 1.00 0.00 H new ATOM 0 HG CYS A 896 4.990 9.433 -10.474 1.00 0.00 H new ATOM 900 N VAL A 897 10.431 8.292 -9.032 1.00 0.00 N ATOM 901 CA VAL A 897 11.708 8.690 -8.450 1.00 0.00 C ATOM 902 C VAL A 897 12.845 7.719 -8.754 1.00 0.00 C ATOM 903 O VAL A 897 14.016 8.066 -8.576 1.00 0.00 O ATOM 904 CB VAL A 897 11.610 8.926 -6.934 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.725 10.116 -6.660 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.069 7.694 -6.224 1.00 0.00 C ATOM 0 H VAL A 897 9.935 7.567 -8.513 1.00 0.00 H new ATOM 0 HA VAL A 897 11.951 9.635 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 897 12.610 9.124 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.658 10.280 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.147 11.001 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.729 9.929 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.010 7.888 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.075 7.461 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.734 6.849 -6.404 1.00 0.00 H new ATOM 916 N GLY A 898 12.512 6.522 -9.185 1.00 0.00 N ATOM 917 CA GLY A 898 13.539 5.557 -9.522 1.00 0.00 C ATOM 918 C GLY A 898 13.677 4.470 -8.475 1.00 0.00 C ATOM 919 O GLY A 898 14.739 3.858 -8.325 1.00 0.00 O ATOM 0 H GLY A 898 11.554 6.195 -9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.305 5.103 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.493 6.071 -9.636 1.00 0.00 H new ATOM 923 N ILE A 899 12.621 4.233 -7.748 1.00 0.00 N ATOM 924 CA ILE A 899 12.597 3.190 -6.754 1.00 0.00 C ATOM 925 C ILE A 899 11.864 1.998 -7.351 1.00 0.00 C ATOM 926 O ILE A 899 10.796 2.158 -7.927 1.00 0.00 O ATOM 927 CB ILE A 899 11.864 3.658 -5.449 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.601 4.823 -4.772 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.702 2.506 -4.461 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.911 4.450 -4.127 1.00 0.00 C ATOM 0 H ILE A 899 11.750 4.757 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 899 13.619 2.928 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 899 10.875 4.004 -5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.785 5.599 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.949 5.256 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.190 2.863 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 899 11.116 1.711 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.684 2.120 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.359 5.335 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.737 3.698 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.586 4.047 -4.882 1.00 0.00 H new ATOM 942 N MET A 900 12.464 0.837 -7.295 1.00 0.00 N ATOM 943 CA MET A 900 11.804 -0.369 -7.775 1.00 0.00 C ATOM 944 C MET A 900 11.772 -1.426 -6.694 1.00 0.00 C ATOM 945 O MET A 900 11.139 -2.471 -6.846 1.00 0.00 O ATOM 946 CB MET A 900 12.450 -0.912 -9.060 1.00 0.00 C ATOM 947 CG MET A 900 12.357 0.046 -10.243 1.00 0.00 C ATOM 948 SD MET A 900 12.959 -0.656 -11.802 1.00 0.00 S ATOM 949 CE MET A 900 14.666 -1.013 -11.388 1.00 0.00 C ATOM 0 H MET A 900 13.404 0.692 -6.925 1.00 0.00 H new ATOM 0 HA MET A 900 10.778 -0.099 -8.026 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.499 -1.133 -8.864 1.00 0.00 H new ATOM 0 HB3 MET A 900 11.971 -1.854 -9.327 1.00 0.00 H new ATOM 0 HG2 MET A 900 11.319 0.352 -10.370 1.00 0.00 H new ATOM 0 HG3 MET A 900 12.929 0.946 -10.016 1.00 0.00 H new ATOM 0 HE1 MET A 900 15.224 -1.230 -12.299 1.00 0.00 H new ATOM 0 HE2 MET A 900 15.107 -0.150 -10.889 1.00 0.00 H new ATOM 0 HE3 MET A 900 14.706 -1.876 -10.724 1.00 0.00 H new ATOM 959 N ALA A 901 12.456 -1.156 -5.605 1.00 0.00 N ATOM 960 CA ALA A 901 12.484 -2.052 -4.485 1.00 0.00 C ATOM 961 C ALA A 901 12.412 -1.251 -3.210 1.00 0.00 C ATOM 962 O ALA A 901 12.955 -0.145 -3.139 1.00 0.00 O ATOM 963 CB ALA A 901 13.731 -2.911 -4.519 1.00 0.00 C ATOM 0 H ALA A 901 13.007 -0.307 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 901 11.625 -2.721 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 901 13.733 -3.583 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 901 13.745 -3.496 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 901 14.614 -2.273 -4.482 1.00 0.00 H new ATOM 969 N ALA A 902 11.782 -1.799 -2.212 1.00 0.00 N ATOM 970 CA ALA A 902 11.580 -1.111 -0.960 1.00 0.00 C ATOM 971 C ALA A 902 12.808 -1.198 -0.065 1.00 0.00 C ATOM 972 O ALA A 902 13.272 -2.308 0.261 1.00 0.00 O ATOM 973 CB ALA A 902 10.373 -1.688 -0.238 1.00 0.00 C ATOM 0 H ALA A 902 11.390 -2.740 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 902 11.404 -0.059 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.228 -1.163 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.486 -1.568 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.538 -2.747 -0.042 1.00 0.00 H new ATOM 979 N PRO A 903 13.386 -0.055 0.315 1.00 0.00 N ATOM 980 CA PRO A 903 14.465 -0.027 1.274 1.00 0.00 C ATOM 981 C PRO A 903 13.880 -0.163 2.689 1.00 0.00 C ATOM 982 O PRO A 903 12.658 -0.009 2.874 1.00 0.00 O ATOM 983 CB PRO A 903 15.109 1.365 1.086 1.00 0.00 C ATOM 984 CG PRO A 903 14.333 2.049 0.007 1.00 0.00 C ATOM 985 CD PRO A 903 13.044 1.297 -0.152 1.00 0.00 C ATOM 0 HA PRO A 903 15.187 -0.832 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.073 1.938 2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 903 16.159 1.272 0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.142 3.090 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.894 2.054 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.244 1.738 0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.706 1.292 -1.188 1.00 0.00 H new ATOM 993 N PRO A 904 14.702 -0.467 3.689 1.00 0.00 N ATOM 994 CA PRO A 904 14.227 -0.613 5.052 1.00 0.00 C ATOM 995 C PRO A 904 13.742 0.727 5.592 1.00 0.00 C ATOM 996 O PRO A 904 14.341 1.766 5.313 1.00 0.00 O ATOM 997 CB PRO A 904 15.458 -1.100 5.825 1.00 0.00 C ATOM 998 CG PRO A 904 16.623 -0.698 4.998 1.00 0.00 C ATOM 999 CD PRO A 904 16.152 -0.667 3.575 1.00 0.00 C ATOM 0 HA PRO A 904 13.385 -1.300 5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 904 15.504 -0.648 6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.431 -2.180 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 904 16.995 0.280 5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.445 -1.404 5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.624 0.140 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.388 -1.596 3.055 1.00 0.00 H new ATOM 1007 N GLU A 905 12.687 0.710 6.375 1.00 0.00 N ATOM 1008 CA GLU A 905 12.102 1.943 6.880 1.00 0.00 C ATOM 1009 C GLU A 905 12.900 2.549 8.022 1.00 0.00 C ATOM 1010 O GLU A 905 12.578 3.636 8.518 1.00 0.00 O ATOM 1011 CB GLU A 905 10.610 1.794 7.197 1.00 0.00 C ATOM 1012 CG GLU A 905 10.232 0.610 8.068 1.00 0.00 C ATOM 1013 CD GLU A 905 8.736 0.494 8.228 1.00 0.00 C ATOM 1014 OE1 GLU A 905 8.070 -0.063 7.335 1.00 0.00 O ATOM 1015 OE2 GLU A 905 8.185 0.960 9.251 1.00 0.00 O ATOM 0 H GLU A 905 12.213 -0.141 6.679 1.00 0.00 H new ATOM 0 HA GLU A 905 12.163 2.668 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 905 10.270 2.705 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 905 10.065 1.717 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 905 10.624 -0.307 7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 905 10.696 0.716 9.048 1.00 0.00 H new ATOM 1022 N GLU A 906 13.927 1.832 8.450 1.00 0.00 N ATOM 1023 CA GLU A 906 14.885 2.356 9.419 1.00 0.00 C ATOM 1024 C GLU A 906 15.808 3.323 8.689 1.00 0.00 C ATOM 1025 O GLU A 906 16.314 4.288 9.263 1.00 0.00 O ATOM 1026 CB GLU A 906 15.762 1.242 9.983 1.00 0.00 C ATOM 1027 CG GLU A 906 15.043 0.113 10.677 1.00 0.00 C ATOM 1028 CD GLU A 906 16.026 -0.920 11.157 1.00 0.00 C ATOM 1029 OE1 GLU A 906 16.522 -1.703 10.336 1.00 0.00 O ATOM 1030 OE2 GLU A 906 16.350 -0.949 12.361 1.00 0.00 O ATOM 0 H GLU A 906 14.122 0.880 8.141 1.00 0.00 H new ATOM 0 HA GLU A 906 14.335 2.832 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 906 16.350 0.823 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 906 16.466 1.684 10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 906 14.473 0.501 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 906 14.328 -0.346 9.994 1.00 0.00 H new ATOM 1037 N MET A 907 15.994 3.044 7.417 1.00 0.00 N ATOM 1038 CA MET A 907 16.882 3.780 6.555 1.00 0.00 C ATOM 1039 C MET A 907 16.126 4.939 5.972 1.00 0.00 C ATOM 1040 O MET A 907 14.915 4.836 5.719 1.00 0.00 O ATOM 1041 CB MET A 907 17.376 2.845 5.442 1.00 0.00 C ATOM 1042 CG MET A 907 18.339 3.440 4.434 1.00 0.00 C ATOM 1043 SD MET A 907 19.920 3.910 5.155 1.00 0.00 S ATOM 1044 CE MET A 907 20.799 4.377 3.663 1.00 0.00 C ATOM 0 H MET A 907 15.516 2.277 6.944 1.00 0.00 H new ATOM 0 HA MET A 907 17.742 4.155 7.109 1.00 0.00 H new ATOM 0 HB2 MET A 907 17.858 1.986 5.908 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.507 2.469 4.902 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.511 2.718 3.636 1.00 0.00 H new ATOM 0 HG3 MET A 907 17.880 4.317 3.977 1.00 0.00 H new ATOM 0 HE1 MET A 907 21.808 4.699 3.921 1.00 0.00 H new ATOM 0 HE2 MET A 907 20.852 3.522 2.989 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.272 5.194 3.171 1.00 0.00 H new ATOM 1054 N GLN A 908 16.795 6.027 5.775 1.00 0.00 N ATOM 1055 CA GLN A 908 16.158 7.195 5.249 1.00 0.00 C ATOM 1056 C GLN A 908 16.405 7.324 3.767 1.00 0.00 C ATOM 1057 O GLN A 908 17.412 6.827 3.231 1.00 0.00 O ATOM 1058 CB GLN A 908 16.592 8.458 5.978 1.00 0.00 C ATOM 1059 CG GLN A 908 16.314 8.434 7.470 1.00 0.00 C ATOM 1060 CD GLN A 908 16.633 9.748 8.150 1.00 0.00 C ATOM 1061 OE1 GLN A 908 17.032 9.783 9.306 1.00 0.00 O ATOM 1062 NE2 GLN A 908 16.439 10.838 7.456 1.00 0.00 N ATOM 0 H GLN A 908 17.790 6.134 5.971 1.00 0.00 H new ATOM 0 HA GLN A 908 15.087 7.076 5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 908 17.660 8.608 5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 908 16.081 9.314 5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 908 15.264 8.191 7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 908 16.901 7.640 7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 908 16.106 10.777 6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 908 16.621 11.749 7.876 1.00 0.00 H new ATOM 1071 N TRP A 909 15.506 7.988 3.122 1.00 0.00 N ATOM 1072 CA TRP A 909 15.549 8.189 1.706 1.00 0.00 C ATOM 1073 C TRP A 909 15.123 9.588 1.422 1.00 0.00 C ATOM 1074 O TRP A 909 14.268 10.139 2.123 1.00 0.00 O ATOM 1075 CB TRP A 909 14.649 7.178 0.976 1.00 0.00 C ATOM 1076 CG TRP A 909 14.549 7.379 -0.510 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.346 6.840 -1.473 1.00 0.00 C ATOM 1078 CD2 TRP A 909 13.585 8.181 -1.192 1.00 0.00 C ATOM 1079 NE1 TRP A 909 14.937 7.269 -2.712 1.00 0.00 N ATOM 1080 CE2 TRP A 909 13.854 8.089 -2.561 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.520 8.972 -0.763 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.097 8.755 -3.508 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 11.769 9.634 -1.698 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.056 9.523 -3.058 1.00 0.00 C ATOM 0 H TRP A 909 14.699 8.418 3.573 1.00 0.00 H new ATOM 0 HA TRP A 909 16.564 8.030 1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.026 6.173 1.168 1.00 0.00 H new ATOM 0 HB3 TRP A 909 13.648 7.230 1.403 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.176 6.174 -1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.371 7.017 -3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.291 9.061 0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.318 8.673 -4.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 10.943 10.251 -1.377 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.444 10.054 -3.772 1.00 0.00 H new ATOM 1095 N PHE A 910 15.708 10.156 0.427 1.00 0.00 N ATOM 1096 CA PHE A 910 15.462 11.504 0.059 1.00 0.00 C ATOM 1097 C PHE A 910 15.280 11.515 -1.437 1.00 0.00 C ATOM 1098 O PHE A 910 16.032 10.824 -2.152 1.00 0.00 O ATOM 1099 CB PHE A 910 16.665 12.374 0.483 1.00 0.00 C ATOM 1100 CG PHE A 910 17.073 12.158 1.913 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.267 12.587 2.928 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.253 11.500 2.232 1.00 0.00 C ATOM 1103 CE1 PHE A 910 16.600 12.373 4.238 1.00 0.00 C ATOM 1104 CE2 PHE A 910 18.603 11.284 3.549 1.00 0.00 C ATOM 1105 CZ PHE A 910 17.766 11.721 4.555 1.00 0.00 C ATOM 0 H PHE A 910 16.388 9.683 -0.168 1.00 0.00 H new ATOM 0 HA PHE A 910 14.576 11.908 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.512 12.155 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.415 13.425 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.349 13.105 2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 910 18.903 11.154 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 910 15.944 12.718 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.525 10.777 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.027 11.551 5.589 1.00 0.00 H new ATOM 1115 N CYS A 911 14.280 12.235 -1.911 1.00 0.00 N ATOM 1116 CA CYS A 911 13.963 12.285 -3.330 1.00 0.00 C ATOM 1117 C CYS A 911 15.147 12.801 -4.166 1.00 0.00 C ATOM 1118 O CYS A 911 16.099 13.357 -3.610 1.00 0.00 O ATOM 1119 CB CYS A 911 12.682 13.132 -3.561 1.00 0.00 C ATOM 1120 SG CYS A 911 12.756 14.858 -3.028 1.00 0.00 S ATOM 0 H CYS A 911 13.665 12.801 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 911 13.768 11.268 -3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.446 13.112 -4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.854 12.649 -3.042 1.00 0.00 H new ATOM 0 HG CYS A 911 11.893 15.055 -2.076 1.00 0.00 H new ATOM 1125 N PRO A 912 15.127 12.603 -5.517 1.00 0.00 N ATOM 1126 CA PRO A 912 16.172 13.104 -6.435 1.00 0.00 C ATOM 1127 C PRO A 912 16.473 14.608 -6.280 1.00 0.00 C ATOM 1128 O PRO A 912 17.452 15.097 -6.815 1.00 0.00 O ATOM 1129 CB PRO A 912 15.606 12.811 -7.836 1.00 0.00 C ATOM 1130 CG PRO A 912 14.185 12.415 -7.612 1.00 0.00 C ATOM 1131 CD PRO A 912 14.146 11.805 -6.250 1.00 0.00 C ATOM 0 HA PRO A 912 17.127 12.619 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.673 13.689 -8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.164 12.013 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.523 13.279 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.852 11.705 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.154 11.872 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.416 10.749 -6.271 1.00 0.00 H new ATOM 1139 N LYS A 913 15.616 15.332 -5.581 1.00 0.00 N ATOM 1140 CA LYS A 913 15.875 16.724 -5.271 1.00 0.00 C ATOM 1141 C LYS A 913 16.776 16.766 -4.048 1.00 0.00 C ATOM 1142 O LYS A 913 17.907 17.264 -4.084 1.00 0.00 O ATOM 1143 CB LYS A 913 14.585 17.454 -4.892 1.00 0.00 C ATOM 1144 CG LYS A 913 13.474 17.456 -5.913 1.00 0.00 C ATOM 1145 CD LYS A 913 12.246 18.102 -5.302 1.00 0.00 C ATOM 1146 CE LYS A 913 11.063 18.091 -6.234 1.00 0.00 C ATOM 1147 NZ LYS A 913 9.844 18.576 -5.554 1.00 0.00 N ATOM 0 H LYS A 913 14.732 14.976 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 913 16.322 17.199 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 913 14.201 17.009 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 913 14.836 18.490 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 913 13.783 18.002 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 913 13.248 16.437 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 913 11.984 17.579 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 913 12.479 19.131 -5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 913 11.273 18.718 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.898 17.079 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 9.123 18.816 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 9.478 17.833 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 10.072 19.422 -4.993 1.00 0.00 H new ATOM 1161 N CYS A 914 16.290 16.147 -2.994 1.00 0.00 N ATOM 1162 CA CYS A 914 16.919 16.205 -1.720 1.00 0.00 C ATOM 1163 C CYS A 914 18.220 15.448 -1.664 1.00 0.00 C ATOM 1164 O CYS A 914 19.219 15.991 -1.251 1.00 0.00 O ATOM 1165 CB CYS A 914 15.950 15.759 -0.644 1.00 0.00 C ATOM 1166 SG CYS A 914 14.514 16.841 -0.506 1.00 0.00 S ATOM 0 H CYS A 914 15.438 15.587 -3.012 1.00 0.00 H new ATOM 0 HA CYS A 914 17.190 17.245 -1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.615 14.744 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.468 15.726 0.314 1.00 0.00 H new ATOM 0 HG CYS A 914 13.585 16.435 -1.320 1.00 0.00 H new ATOM 1171 N ALA A 915 18.232 14.242 -2.145 1.00 0.00 N ATOM 1172 CA ALA A 915 19.434 13.436 -2.075 1.00 0.00 C ATOM 1173 C ALA A 915 20.537 14.001 -2.966 1.00 0.00 C ATOM 1174 O ALA A 915 21.728 13.714 -2.767 1.00 0.00 O ATOM 1175 CB ALA A 915 19.142 12.008 -2.421 1.00 0.00 C ATOM 0 H ALA A 915 17.434 13.788 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 915 19.794 13.468 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.060 11.424 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.410 11.606 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.743 11.953 -3.434 1.00 0.00 H new ATOM 1181 N ASN A 916 20.131 14.816 -3.916 1.00 0.00 N ATOM 1182 CA ASN A 916 21.040 15.484 -4.824 1.00 0.00 C ATOM 1183 C ASN A 916 21.724 16.625 -4.088 1.00 0.00 C ATOM 1184 O ASN A 916 22.958 16.738 -4.098 1.00 0.00 O ATOM 1185 CB ASN A 916 20.256 16.048 -6.017 1.00 0.00 C ATOM 1186 CG ASN A 916 21.127 16.638 -7.115 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.489 17.825 -7.091 1.00 0.00 O ATOM 1188 ND2 ASN A 916 21.418 15.847 -8.107 1.00 0.00 N ATOM 0 H ASN A 916 19.149 15.036 -4.082 1.00 0.00 H new ATOM 0 HA ASN A 916 21.784 14.774 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.643 15.253 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 916 19.574 16.818 -5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 916 21.960 16.198 -8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 916 21.104 14.876 -8.094 1.00 0.00 H new ATOM 1195 N LYS A 917 20.909 17.434 -3.395 1.00 0.00 N ATOM 1196 CA LYS A 917 21.382 18.623 -2.677 1.00 0.00 C ATOM 1197 C LYS A 917 22.297 18.240 -1.490 1.00 0.00 C ATOM 1198 O LYS A 917 23.176 19.016 -1.098 1.00 0.00 O ATOM 1199 CB LYS A 917 20.186 19.487 -2.208 1.00 0.00 C ATOM 1200 CG LYS A 917 19.458 18.926 -1.013 1.00 0.00 C ATOM 1201 CD LYS A 917 18.083 19.515 -0.811 1.00 0.00 C ATOM 1202 CE LYS A 917 17.437 18.907 0.418 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.982 19.160 0.489 1.00 0.00 N ATOM 0 H LYS A 917 19.904 17.281 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 917 21.980 19.217 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.546 20.487 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.482 19.593 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 917 19.368 17.846 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.055 19.103 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 917 18.154 20.597 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.465 19.327 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.614 17.831 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.915 19.311 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.682 19.185 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 15.766 20.072 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.473 18.401 -0.007 1.00 0.00 H new ATOM 1217 N ILE A 918 22.087 17.037 -0.938 1.00 0.00 N ATOM 1218 CA ILE A 918 22.895 16.533 0.181 1.00 0.00 C ATOM 1219 C ILE A 918 24.330 16.292 -0.286 1.00 0.00 C ATOM 1220 O ILE A 918 25.299 16.695 0.364 1.00 0.00 O ATOM 1221 CB ILE A 918 22.370 15.152 0.717 1.00 0.00 C ATOM 1222 CG1 ILE A 918 20.868 15.161 1.032 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.158 14.703 1.948 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.422 16.120 2.105 1.00 0.00 C ATOM 0 H ILE A 918 21.361 16.392 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 918 22.835 17.285 0.968 1.00 0.00 H new ATOM 0 HB ILE A 918 22.526 14.438 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 918 20.327 15.396 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.573 14.154 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 918 22.773 13.745 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.211 14.598 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.052 15.446 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.344 16.038 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.925 15.878 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 918 20.674 17.139 1.810 1.00 0.00 H new