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 -170:sc= 1.26 USER MOD Set 1.2: A 873 CYS SG : rot -69:sc= -0.993 USER MOD Set 1.3: A 882 MET CE :methyl -122:sc= -0.16 (180deg=-0.477) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -1.45 K(o=-4.9,f=-8.7!) USER MOD Set 1.5: A 896 CYS SG : rot -143:sc= -3.55! USER MOD Set 2.1: A 885 CYS SG : rot 162:sc= 1.07 USER MOD Set 2.2: A 888 CYS SG : rot -60:sc= -0.15 USER MOD Set 2.3: A 892 TYR OH : rot 55:sc= 1.23 USER MOD Set 2.4: A 911 CYS SG : rot -125:sc= 2.13 USER MOD Set 2.5: A 914 CYS SG : rot 126:sc= -0.419 USER MOD Set 2.6: A 917 LYS NZ :NH3+ -149:sc= 2.18 (180deg=1.16) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -1.71! K(o=-1.7!,f=-1.2) USER MOD Single : A 866 GLN : amide:sc= -1.51! K(o=-1.5!,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.0994 K(o=-0.099,f=-1.7) USER MOD Single : A 875 LYS NZ :NH3+ 164:sc= -0.0496 (180deg=-0.332) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 900 MET CE :methyl -158:sc= -0.161 (180deg=-0.743) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.1) USER MOD Single : A 913 LYS NZ :NH3+ -167:sc= -0.0245 (180deg=-0.218) USER MOD Single : A 916 ASN : amide:sc= -0.072 K(o=-0.072,f=-1.4!) USER MOD Single : P 1 ALA N :NH3+ 157:sc= 1.19 (180deg=0.607) USER MOD Single : P 3 THR OG1 : rot 45:sc= -0.439 USER MOD Single : P 5 GLN : amide:sc= -2.36! X(o=-2.4!,f=-1.9) USER MOD Single : P 6 THR OG1 : rot 142:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 12.506 6.183 4.742 1.00 0.00 N ATOM 2 CA ALA P 1 11.915 5.840 3.477 1.00 0.00 C ATOM 3 C ALA P 1 10.701 5.035 3.743 1.00 0.00 C ATOM 4 O ALA P 1 10.743 3.810 3.788 1.00 0.00 O ATOM 5 CB ALA P 1 12.872 5.053 2.596 1.00 0.00 C ATOM 0 H1 ALA P 1 13.516 6.392 4.608 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.028 7.020 5.133 1.00 0.00 H new ATOM 0 H3 ALA P 1 12.402 5.386 5.402 1.00 0.00 H new ATOM 0 HA ALA P 1 11.669 6.757 2.942 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.384 4.815 1.651 1.00 0.00 H new ATOM 0 HB2 ALA P 1 13.764 5.649 2.404 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.155 4.129 3.101 1.00 0.00 H new ATOM 13 N ARG P 2 9.635 5.709 4.012 1.00 0.00 N ATOM 14 CA ARG P 2 8.418 5.045 4.287 1.00 0.00 C ATOM 15 C ARG P 2 7.810 4.643 2.965 1.00 0.00 C ATOM 16 O ARG P 2 7.826 5.425 2.013 1.00 0.00 O ATOM 17 CB ARG P 2 7.485 5.947 5.072 1.00 0.00 C ATOM 18 CG ARG P 2 6.370 5.189 5.712 1.00 0.00 C ATOM 19 CD ARG P 2 5.452 6.090 6.503 1.00 0.00 C ATOM 20 NE ARG P 2 4.274 5.370 6.991 1.00 0.00 N ATOM 21 CZ ARG P 2 3.388 5.857 7.867 1.00 0.00 C ATOM 22 NH1 ARG P 2 3.596 7.028 8.453 1.00 0.00 N ATOM 23 NH2 ARG P 2 2.307 5.159 8.168 1.00 0.00 N ATOM 0 H ARG P 2 9.587 6.727 4.046 1.00 0.00 H new ATOM 0 HA ARG P 2 8.592 4.160 4.900 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.052 6.472 5.840 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.071 6.705 4.407 1.00 0.00 H new ATOM 0 HG2 ARG P 2 5.796 4.672 4.943 1.00 0.00 H new ATOM 0 HG3 ARG P 2 6.783 4.425 6.370 1.00 0.00 H new ATOM 0 HD2 ARG P 2 5.996 6.512 7.348 1.00 0.00 H new ATOM 0 HD3 ARG P 2 5.135 6.925 5.878 1.00 0.00 H new ATOM 0 HE ARG P 2 4.117 4.427 6.636 1.00 0.00 H new ATOM 0 HH11 ARG P 2 4.436 7.564 8.237 1.00 0.00 H new ATOM 0 HH12 ARG P 2 2.916 7.393 9.120 1.00 0.00 H new ATOM 0 HH21 ARG P 2 2.149 4.250 7.733 1.00 0.00 H new ATOM 0 HH22 ARG P 2 1.631 5.529 8.836 1.00 0.00 H new ATOM 37 N THR P 3 7.334 3.447 2.881 1.00 0.00 N ATOM 38 CA THR P 3 6.805 2.943 1.656 1.00 0.00 C ATOM 39 C THR P 3 5.373 2.453 1.808 1.00 0.00 C ATOM 40 O THR P 3 5.090 1.541 2.577 1.00 0.00 O ATOM 41 CB THR P 3 7.726 1.843 1.108 1.00 0.00 C ATOM 42 OG1 THR P 3 8.241 1.050 2.210 1.00 0.00 O ATOM 43 CG2 THR P 3 8.879 2.453 0.331 1.00 0.00 C ATOM 0 H THR P 3 7.300 2.789 3.660 1.00 0.00 H new ATOM 0 HA THR P 3 6.770 3.761 0.937 1.00 0.00 H new ATOM 0 HB THR P 3 7.153 1.206 0.435 1.00 0.00 H new ATOM 0 HG1 THR P 3 7.512 0.838 2.829 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.521 1.659 -0.050 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.488 3.035 -0.503 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.457 3.103 0.988 1.00 0.00 H new ATOM 82 N GLN P 5 1.520 1.546 -0.224 1.00 0.00 N ATOM 83 CA GLN P 5 0.946 0.994 -1.413 1.00 0.00 C ATOM 84 C GLN P 5 -0.541 0.844 -1.174 1.00 0.00 C ATOM 85 O GLN P 5 -0.971 -0.037 -0.435 1.00 0.00 O ATOM 86 CB GLN P 5 1.591 -0.351 -1.777 1.00 0.00 C ATOM 87 CG GLN P 5 1.085 -0.912 -3.090 1.00 0.00 C ATOM 88 CD GLN P 5 1.780 -2.183 -3.511 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.258 -2.962 -2.680 1.00 0.00 O ATOM 90 NE2 GLN P 5 1.807 -2.431 -4.794 1.00 0.00 N ATOM 0 HA GLN P 5 1.127 1.657 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.672 -0.226 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.395 -1.069 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN P 5 0.015 -1.103 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.214 -0.162 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN P 5 1.402 -1.764 -5.451 1.00 0.00 H new ATOM 0 HE22 GLN P 5 2.233 -3.292 -5.138 1.00 0.00 H new ATOM 99 N THR P 6 -1.314 1.727 -1.742 1.00 0.00 N ATOM 100 CA THR P 6 -2.765 1.743 -1.552 1.00 0.00 C ATOM 101 C THR P 6 -3.427 0.981 -2.719 1.00 0.00 C ATOM 102 O THR P 6 -4.521 1.327 -3.193 1.00 0.00 O ATOM 103 CB THR P 6 -3.233 3.208 -1.569 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.177 4.048 -1.046 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.480 3.391 -0.705 1.00 0.00 C ATOM 0 H THR P 6 -0.968 2.465 -2.355 1.00 0.00 H new ATOM 0 HA THR P 6 -3.037 1.272 -0.607 1.00 0.00 H new ATOM 0 HB THR P 6 -3.472 3.484 -2.596 1.00 0.00 H new ATOM 0 HG1 THR P 6 -2.141 4.884 -1.556 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.792 4.435 -0.733 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.284 2.762 -1.088 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.255 3.107 0.323 1.00 0.00 H new ATOM 301 N TYR A 857 0.981 19.139 -2.007 1.00 0.00 N ATOM 302 CA TYR A 857 0.847 17.953 -2.820 1.00 0.00 C ATOM 303 C TYR A 857 -0.024 16.953 -2.097 1.00 0.00 C ATOM 304 O TYR A 857 0.153 15.745 -2.198 1.00 0.00 O ATOM 305 CB TYR A 857 2.196 17.340 -3.125 1.00 0.00 C ATOM 306 CG TYR A 857 2.999 18.082 -4.171 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.797 17.838 -5.521 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.948 19.028 -3.815 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.509 18.506 -6.485 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.668 19.707 -4.778 1.00 0.00 C ATOM 311 CZ TYR A 857 4.442 19.440 -6.113 1.00 0.00 C ATOM 312 OH TYR A 857 5.151 20.113 -7.077 1.00 0.00 O ATOM 0 HA TYR A 857 0.387 18.231 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.777 17.294 -2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 857 2.047 16.313 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 857 2.062 17.105 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.127 19.237 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 857 3.336 18.298 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.404 20.443 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 857 5.771 20.740 -6.649 1.00 0.00 H new ATOM 322 N VAL A 858 -0.971 17.478 -1.398 1.00 0.00 N ATOM 323 CA VAL A 858 -1.927 16.693 -0.620 1.00 0.00 C ATOM 324 C VAL A 858 -3.340 17.137 -0.952 1.00 0.00 C ATOM 325 O VAL A 858 -3.735 18.258 -0.630 1.00 0.00 O ATOM 326 CB VAL A 858 -1.749 16.871 0.913 1.00 0.00 C ATOM 327 CG1 VAL A 858 -2.643 15.907 1.673 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.314 16.707 1.337 1.00 0.00 C ATOM 0 H VAL A 858 -1.124 18.485 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.748 15.650 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 858 -2.046 17.891 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.503 16.048 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -3.685 16.097 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.384 14.883 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.236 16.840 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 858 0.033 15.709 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.301 17.453 0.834 1.00 0.00 H new ATOM 338 N ILE A 859 -4.092 16.283 -1.564 1.00 0.00 N ATOM 339 CA ILE A 859 -5.465 16.597 -1.881 1.00 0.00 C ATOM 340 C ILE A 859 -6.349 15.770 -0.978 1.00 0.00 C ATOM 341 O ILE A 859 -5.905 14.732 -0.451 1.00 0.00 O ATOM 342 CB ILE A 859 -5.822 16.299 -3.368 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.681 14.800 -3.669 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.938 17.126 -4.298 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.116 14.392 -5.054 1.00 0.00 C ATOM 0 H ILE A 859 -3.787 15.356 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.618 17.665 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.861 16.580 -3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.639 14.512 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.266 14.240 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.197 16.909 -5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.093 18.187 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.892 16.874 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -5.981 13.317 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.167 14.644 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.515 14.920 -5.794 1.00 0.00 H new ATOM 357 N ARG A 860 -7.560 16.188 -0.766 1.00 0.00 N ATOM 358 CA ARG A 860 -8.423 15.406 0.069 1.00 0.00 C ATOM 359 C ARG A 860 -9.316 14.526 -0.787 1.00 0.00 C ATOM 360 O ARG A 860 -9.745 14.905 -1.898 1.00 0.00 O ATOM 361 CB ARG A 860 -9.293 16.250 1.022 1.00 0.00 C ATOM 362 CG ARG A 860 -10.475 16.924 0.352 1.00 0.00 C ATOM 363 CD ARG A 860 -11.379 17.617 1.342 1.00 0.00 C ATOM 364 NE ARG A 860 -12.651 17.977 0.706 1.00 0.00 N ATOM 365 CZ ARG A 860 -13.562 18.817 1.190 1.00 0.00 C ATOM 366 NH1 ARG A 860 -13.359 19.434 2.348 1.00 0.00 N ATOM 367 NH2 ARG A 860 -14.692 19.022 0.513 1.00 0.00 N ATOM 0 H ARG A 860 -7.966 17.042 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 860 -7.771 14.797 0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.661 15.609 1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.668 17.014 1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -10.112 17.651 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -11.049 16.180 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.563 16.964 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.890 18.513 1.726 1.00 0.00 H new ATOM 0 HE ARG A 860 -12.857 17.542 -0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.500 19.265 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -14.062 20.077 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -14.853 18.536 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -15.395 19.664 0.877 1.00 0.00 H new ATOM 381 N ASP A 861 -9.544 13.367 -0.305 1.00 0.00 N ATOM 382 CA ASP A 861 -10.466 12.435 -0.888 1.00 0.00 C ATOM 383 C ASP A 861 -11.869 12.739 -0.358 1.00 0.00 C ATOM 384 O ASP A 861 -12.017 13.532 0.582 1.00 0.00 O ATOM 385 CB ASP A 861 -10.014 11.019 -0.531 1.00 0.00 C ATOM 386 CG ASP A 861 -11.020 9.953 -0.804 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.221 9.590 -1.984 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.656 9.509 0.167 1.00 0.00 O ATOM 0 H ASP A 861 -9.085 13.015 0.535 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.490 12.521 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -9.105 10.792 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.755 10.992 0.527 1.00 0.00 H new ATOM 393 N GLU A 862 -12.869 12.097 -0.920 1.00 0.00 N ATOM 394 CA GLU A 862 -14.257 12.325 -0.559 1.00 0.00 C ATOM 395 C GLU A 862 -14.534 11.905 0.891 1.00 0.00 C ATOM 396 O GLU A 862 -15.404 12.470 1.554 1.00 0.00 O ATOM 397 CB GLU A 862 -15.210 11.595 -1.515 1.00 0.00 C ATOM 398 CG GLU A 862 -15.046 10.082 -1.553 1.00 0.00 C ATOM 399 CD GLU A 862 -16.177 9.403 -2.278 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.263 9.238 -1.679 1.00 0.00 O ATOM 401 OE2 GLU A 862 -16.021 9.027 -3.454 1.00 0.00 O ATOM 0 H GLU A 862 -12.744 11.394 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.439 13.396 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.236 11.827 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.062 11.987 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.103 9.833 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -14.989 9.699 -0.534 1.00 0.00 H new ATOM 408 N TRP A 863 -13.794 10.913 1.379 1.00 0.00 N ATOM 409 CA TRP A 863 -13.945 10.462 2.751 1.00 0.00 C ATOM 410 C TRP A 863 -13.030 11.245 3.675 1.00 0.00 C ATOM 411 O TRP A 863 -13.021 11.039 4.888 1.00 0.00 O ATOM 412 CB TRP A 863 -13.662 8.973 2.868 1.00 0.00 C ATOM 413 CG TRP A 863 -14.512 8.146 1.986 1.00 0.00 C ATOM 414 CD1 TRP A 863 -15.845 8.184 1.913 1.00 0.00 C ATOM 415 CD2 TRP A 863 -14.083 7.151 1.065 1.00 0.00 C ATOM 416 NE1 TRP A 863 -16.301 7.267 0.998 1.00 0.00 N ATOM 417 CE2 TRP A 863 -15.229 6.622 0.460 1.00 0.00 C ATOM 418 CE3 TRP A 863 -12.842 6.663 0.696 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -15.169 5.623 -0.496 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -12.773 5.672 -0.254 1.00 0.00 C ATOM 421 CH2 TRP A 863 -13.933 5.163 -0.840 1.00 0.00 C ATOM 0 H TRP A 863 -13.087 10.410 0.843 1.00 0.00 H new ATOM 0 HA TRP A 863 -14.978 10.639 3.051 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -12.615 8.789 2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -13.812 8.662 3.902 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -16.475 8.843 2.492 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -17.279 7.097 0.761 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -11.942 7.054 1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -16.064 5.225 -0.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -11.810 5.283 -0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -13.849 4.385 -1.585 1.00 0.00 H new ATOM 432 N GLY A 864 -12.266 12.139 3.097 1.00 0.00 N ATOM 433 CA GLY A 864 -11.372 12.965 3.871 1.00 0.00 C ATOM 434 C GLY A 864 -9.971 12.407 3.930 1.00 0.00 C ATOM 435 O GLY A 864 -9.133 12.890 4.695 1.00 0.00 O ATOM 0 H GLY A 864 -12.245 12.313 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.343 13.966 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -11.762 13.066 4.884 1.00 0.00 H new ATOM 439 N ASN A 865 -9.706 11.404 3.109 1.00 0.00 N ATOM 440 CA ASN A 865 -8.386 10.776 3.080 1.00 0.00 C ATOM 441 C ASN A 865 -7.388 11.708 2.452 1.00 0.00 C ATOM 442 O ASN A 865 -7.720 12.434 1.512 1.00 0.00 O ATOM 443 CB ASN A 865 -8.376 9.434 2.308 1.00 0.00 C ATOM 444 CG ASN A 865 -9.271 8.372 2.905 1.00 0.00 C ATOM 445 OD1 ASN A 865 -8.860 7.652 3.809 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.465 8.214 2.375 1.00 0.00 N ATOM 0 H ASN A 865 -10.380 11.006 2.455 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.118 10.565 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.684 9.617 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.355 9.055 2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.080 7.475 2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.775 8.831 1.624 1.00 0.00 H new ATOM 453 N GLN A 866 -6.196 11.721 2.976 1.00 0.00 N ATOM 454 CA GLN A 866 -5.146 12.530 2.426 1.00 0.00 C ATOM 455 C GLN A 866 -4.476 11.801 1.298 1.00 0.00 C ATOM 456 O GLN A 866 -3.866 10.738 1.494 1.00 0.00 O ATOM 457 CB GLN A 866 -4.132 12.907 3.478 1.00 0.00 C ATOM 458 CG GLN A 866 -4.612 13.937 4.451 1.00 0.00 C ATOM 459 CD GLN A 866 -3.588 14.218 5.530 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.591 13.580 6.585 1.00 0.00 O ATOM 461 NE2 GLN A 866 -2.715 15.149 5.286 1.00 0.00 N ATOM 0 H GLN A 866 -5.925 11.174 3.793 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.591 13.450 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -3.845 12.011 4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.235 13.280 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -4.840 14.860 3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.540 13.597 4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -2.744 15.656 4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.001 15.373 5.979 1.00 0.00 H new ATOM 470 N ILE A 867 -4.603 12.337 0.133 1.00 0.00 N ATOM 471 CA ILE A 867 -4.023 11.741 -1.031 1.00 0.00 C ATOM 472 C ILE A 867 -2.839 12.572 -1.449 1.00 0.00 C ATOM 473 O ILE A 867 -2.962 13.772 -1.668 1.00 0.00 O ATOM 474 CB ILE A 867 -5.031 11.646 -2.212 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.311 10.889 -1.798 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.385 10.996 -3.441 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.075 9.475 -1.306 1.00 0.00 C ATOM 0 H ILE A 867 -5.112 13.203 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 867 -3.723 10.723 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.317 12.663 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -6.814 11.454 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -6.989 10.855 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.114 10.943 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.530 11.592 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.051 9.990 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.028 9.019 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -5.602 8.889 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -5.424 9.498 -0.432 1.00 0.00 H new ATOM 489 N TRP A 868 -1.706 11.956 -1.524 1.00 0.00 N ATOM 490 CA TRP A 868 -0.528 12.632 -1.935 1.00 0.00 C ATOM 491 C TRP A 868 -0.342 12.574 -3.422 1.00 0.00 C ATOM 492 O TRP A 868 -0.677 11.573 -4.086 1.00 0.00 O ATOM 493 CB TRP A 868 0.710 12.131 -1.199 1.00 0.00 C ATOM 494 CG TRP A 868 0.921 12.788 0.132 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.782 13.804 0.387 1.00 0.00 C ATOM 496 CD2 TRP A 868 0.268 12.499 1.380 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.723 14.159 1.717 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.799 13.383 2.339 1.00 0.00 C ATOM 499 CE3 TRP A 868 -0.704 11.591 1.780 1.00 0.00 C ATOM 500 CZ2 TRP A 868 0.387 13.378 3.664 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.109 11.587 3.096 1.00 0.00 C ATOM 502 CH2 TRP A 868 -0.567 12.477 4.020 1.00 0.00 C ATOM 0 H TRP A 868 -1.574 10.969 -1.301 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.659 13.679 -1.663 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.626 11.054 -1.054 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.588 12.301 -1.823 1.00 0.00 H new ATOM 0 HD1 TRP A 868 2.423 14.269 -0.348 1.00 0.00 H new ATOM 0 HE1 TRP A 868 2.283 14.887 2.162 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.135 10.900 1.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.808 14.063 4.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -1.860 10.881 3.417 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.912 12.451 5.043 1.00 0.00 H new ATOM 513 N ILE A 869 0.118 13.658 -3.922 1.00 0.00 N ATOM 514 CA ILE A 869 0.449 13.847 -5.290 1.00 0.00 C ATOM 515 C ILE A 869 1.951 13.686 -5.386 1.00 0.00 C ATOM 516 O ILE A 869 2.671 14.264 -4.573 1.00 0.00 O ATOM 517 CB ILE A 869 0.079 15.296 -5.737 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.396 15.640 -5.444 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.403 15.534 -7.203 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.402 14.759 -6.136 1.00 0.00 C ATOM 0 H ILE A 869 0.285 14.490 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.088 13.139 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 869 0.697 15.967 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.561 15.580 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.578 16.674 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.131 16.554 -7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.470 15.387 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.159 14.832 -7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.410 15.078 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.271 14.836 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.254 13.725 -5.825 1.00 0.00 H new ATOM 532 N CYS A 870 2.409 12.894 -6.321 1.00 0.00 N ATOM 533 CA CYS A 870 3.818 12.692 -6.527 1.00 0.00 C ATOM 534 C CYS A 870 4.391 13.944 -7.168 1.00 0.00 C ATOM 535 O CYS A 870 3.968 14.314 -8.250 1.00 0.00 O ATOM 536 CB CYS A 870 4.009 11.480 -7.466 1.00 0.00 C ATOM 537 SG CYS A 870 5.717 11.041 -7.946 1.00 0.00 S ATOM 0 H CYS A 870 1.813 12.370 -6.962 1.00 0.00 H new ATOM 0 HA CYS A 870 4.328 12.500 -5.583 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.561 10.610 -6.986 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.442 11.669 -8.378 1.00 0.00 H new ATOM 0 HG CYS A 870 5.687 10.143 -8.886 1.00 0.00 H new ATOM 542 N PRO A 871 5.344 14.634 -6.520 1.00 0.00 N ATOM 543 CA PRO A 871 5.977 15.816 -7.096 1.00 0.00 C ATOM 544 C PRO A 871 6.888 15.455 -8.279 1.00 0.00 C ATOM 545 O PRO A 871 7.475 16.336 -8.933 1.00 0.00 O ATOM 546 CB PRO A 871 6.806 16.395 -5.938 1.00 0.00 C ATOM 547 CG PRO A 871 6.305 15.703 -4.715 1.00 0.00 C ATOM 548 CD PRO A 871 5.850 14.355 -5.172 1.00 0.00 C ATOM 0 HA PRO A 871 5.243 16.518 -7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.870 16.212 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.675 17.474 -5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 871 7.090 15.617 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.486 16.259 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.667 13.634 -5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 871 5.075 13.946 -4.524 1.00 0.00 H new ATOM 556 N GLY A 872 7.009 14.167 -8.548 1.00 0.00 N ATOM 557 CA GLY A 872 7.806 13.707 -9.638 1.00 0.00 C ATOM 558 C GLY A 872 7.077 13.849 -10.951 1.00 0.00 C ATOM 559 O GLY A 872 7.620 14.396 -11.910 1.00 0.00 O ATOM 0 H GLY A 872 6.556 13.426 -8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.737 14.273 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 872 8.074 12.662 -9.480 1.00 0.00 H new ATOM 563 N CYS A 873 5.847 13.388 -10.992 1.00 0.00 N ATOM 564 CA CYS A 873 5.065 13.415 -12.209 1.00 0.00 C ATOM 565 C CYS A 873 3.882 14.390 -12.105 1.00 0.00 C ATOM 566 O CYS A 873 3.334 14.837 -13.129 1.00 0.00 O ATOM 567 CB CYS A 873 4.543 12.018 -12.424 1.00 0.00 C ATOM 568 SG CYS A 873 3.633 11.401 -10.993 1.00 0.00 S ATOM 0 H CYS A 873 5.363 12.986 -10.189 1.00 0.00 H new ATOM 0 HA CYS A 873 5.688 13.752 -13.038 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.893 12.006 -13.299 1.00 0.00 H new ATOM 0 HB3 CYS A 873 5.377 11.349 -12.638 1.00 0.00 H new ATOM 0 HG CYS A 873 4.457 11.204 -10.007 1.00 0.00 H new ATOM 573 N ASN A 874 3.501 14.686 -10.869 1.00 0.00 N ATOM 574 CA ASN A 874 2.353 15.529 -10.505 1.00 0.00 C ATOM 575 C ASN A 874 1.048 14.749 -10.574 1.00 0.00 C ATOM 576 O ASN A 874 -0.045 15.325 -10.607 1.00 0.00 O ATOM 577 CB ASN A 874 2.300 16.876 -11.272 1.00 0.00 C ATOM 578 CG ASN A 874 3.430 17.818 -10.874 1.00 0.00 C ATOM 579 OD1 ASN A 874 3.890 17.821 -9.730 1.00 0.00 O ATOM 580 ND2 ASN A 874 3.903 18.613 -11.809 1.00 0.00 N ATOM 0 H ASN A 874 4.000 14.333 -10.053 1.00 0.00 H new ATOM 0 HA ASN A 874 2.499 15.817 -9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.353 16.683 -12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.343 17.361 -11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 874 4.669 19.252 -11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 874 3.504 18.590 -12.748 1.00 0.00 H new ATOM 587 N LYS A 875 1.159 13.423 -10.544 1.00 0.00 N ATOM 588 CA LYS A 875 0.000 12.547 -10.504 1.00 0.00 C ATOM 589 C LYS A 875 -0.241 12.040 -9.079 1.00 0.00 C ATOM 590 O LYS A 875 0.712 11.823 -8.320 1.00 0.00 O ATOM 591 CB LYS A 875 0.129 11.338 -11.472 1.00 0.00 C ATOM 592 CG LYS A 875 -0.101 11.640 -12.958 1.00 0.00 C ATOM 593 CD LYS A 875 0.955 12.550 -13.556 1.00 0.00 C ATOM 594 CE LYS A 875 0.663 12.872 -15.014 1.00 0.00 C ATOM 595 NZ LYS A 875 -0.634 13.558 -15.176 1.00 0.00 N ATOM 0 H LYS A 875 2.053 12.931 -10.547 1.00 0.00 H new ATOM 0 HA LYS A 875 -0.851 13.143 -10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 875 1.126 10.911 -11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.583 10.573 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.119 10.702 -13.514 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -1.081 12.102 -13.080 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.005 13.475 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 875 1.932 12.074 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 875 1.459 13.501 -15.414 1.00 0.00 H new ATOM 0 HE3 LYS A 875 0.662 11.951 -15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.679 13.998 -16.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -1.406 12.868 -15.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.732 14.292 -14.446 1.00 0.00 H new ATOM 609 N PRO A 876 -1.514 11.871 -8.690 1.00 0.00 N ATOM 610 CA PRO A 876 -1.887 11.344 -7.371 1.00 0.00 C ATOM 611 C PRO A 876 -1.620 9.847 -7.260 1.00 0.00 C ATOM 612 O PRO A 876 -1.196 9.203 -8.220 1.00 0.00 O ATOM 613 CB PRO A 876 -3.399 11.595 -7.315 1.00 0.00 C ATOM 614 CG PRO A 876 -3.823 11.573 -8.736 1.00 0.00 C ATOM 615 CD PRO A 876 -2.701 12.198 -9.501 1.00 0.00 C ATOM 0 HA PRO A 876 -1.319 11.812 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -3.909 10.826 -6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.627 12.552 -6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.008 10.553 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -4.750 12.128 -8.877 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.625 11.790 -10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -2.834 13.275 -9.603 1.00 0.00 H new ATOM 623 N ASP A 877 -1.848 9.298 -6.090 1.00 0.00 N ATOM 624 CA ASP A 877 -1.721 7.866 -5.894 1.00 0.00 C ATOM 625 C ASP A 877 -2.863 7.139 -6.553 1.00 0.00 C ATOM 626 O ASP A 877 -4.024 7.297 -6.170 1.00 0.00 O ATOM 627 CB ASP A 877 -1.629 7.495 -4.417 1.00 0.00 C ATOM 628 CG ASP A 877 -1.663 5.991 -4.191 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.103 5.226 -5.010 1.00 0.00 O ATOM 630 OD2 ASP A 877 -2.281 5.560 -3.201 1.00 0.00 O ATOM 0 H ASP A 877 -2.123 9.818 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 877 -0.788 7.556 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.707 7.901 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.454 7.959 -3.877 1.00 0.00 H new ATOM 635 N ASP A 878 -2.525 6.350 -7.533 1.00 0.00 N ATOM 636 CA ASP A 878 -3.504 5.576 -8.311 1.00 0.00 C ATOM 637 C ASP A 878 -3.857 4.299 -7.578 1.00 0.00 C ATOM 638 O ASP A 878 -4.852 3.625 -7.896 1.00 0.00 O ATOM 639 CB ASP A 878 -2.924 5.160 -9.678 1.00 0.00 C ATOM 640 CG ASP A 878 -2.515 6.300 -10.573 1.00 0.00 C ATOM 641 OD1 ASP A 878 -1.338 6.718 -10.514 1.00 0.00 O ATOM 642 OD2 ASP A 878 -3.336 6.759 -11.401 1.00 0.00 O ATOM 0 H ASP A 878 -1.560 6.211 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.379 6.211 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.056 4.523 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -3.665 4.556 -10.201 1.00 0.00 H new ATOM 647 N GLY A 879 -3.062 3.987 -6.602 1.00 0.00 N ATOM 648 CA GLY A 879 -3.145 2.736 -5.933 1.00 0.00 C ATOM 649 C GLY A 879 -1.883 2.009 -6.234 1.00 0.00 C ATOM 650 O GLY A 879 -1.880 0.858 -6.681 1.00 0.00 O ATOM 0 H GLY A 879 -2.331 4.604 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.264 2.878 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -4.010 2.169 -6.277 1.00 0.00 H new ATOM 654 N SER A 880 -0.809 2.695 -6.027 1.00 0.00 N ATOM 655 CA SER A 880 0.474 2.214 -6.371 1.00 0.00 C ATOM 656 C SER A 880 1.403 2.363 -5.170 1.00 0.00 C ATOM 657 O SER A 880 1.021 2.973 -4.160 1.00 0.00 O ATOM 658 CB SER A 880 0.978 3.024 -7.579 1.00 0.00 C ATOM 659 OG SER A 880 0.062 2.928 -8.675 1.00 0.00 O ATOM 0 H SER A 880 -0.806 3.624 -5.605 1.00 0.00 H new ATOM 0 HA SER A 880 0.443 1.158 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.103 4.069 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 880 1.958 2.657 -7.885 1.00 0.00 H new ATOM 0 HG SER A 880 0.401 3.451 -9.431 1.00 0.00 H new ATOM 665 N PRO A 881 2.594 1.757 -5.202 1.00 0.00 N ATOM 666 CA PRO A 881 3.552 1.926 -4.145 1.00 0.00 C ATOM 667 C PRO A 881 4.227 3.294 -4.235 1.00 0.00 C ATOM 668 O PRO A 881 4.652 3.742 -5.327 1.00 0.00 O ATOM 669 CB PRO A 881 4.559 0.793 -4.366 1.00 0.00 C ATOM 670 CG PRO A 881 3.977 -0.059 -5.436 1.00 0.00 C ATOM 671 CD PRO A 881 3.097 0.839 -6.232 1.00 0.00 C ATOM 0 HA PRO A 881 3.097 1.886 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.531 1.186 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.713 0.222 -3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.759 -0.494 -6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.410 -0.887 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.647 1.363 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.291 0.293 -6.722 1.00 0.00 H new ATOM 679 N MET A 882 4.287 3.970 -3.119 1.00 0.00 N ATOM 680 CA MET A 882 4.884 5.290 -3.061 1.00 0.00 C ATOM 681 C MET A 882 5.928 5.296 -1.975 1.00 0.00 C ATOM 682 O MET A 882 5.846 4.501 -1.025 1.00 0.00 O ATOM 683 CB MET A 882 3.850 6.385 -2.750 1.00 0.00 C ATOM 684 CG MET A 882 2.596 6.361 -3.601 1.00 0.00 C ATOM 685 SD MET A 882 1.529 7.788 -3.299 1.00 0.00 S ATOM 686 CE MET A 882 2.490 9.092 -4.054 1.00 0.00 C ATOM 0 H MET A 882 3.928 3.630 -2.227 1.00 0.00 H new ATOM 0 HA MET A 882 5.317 5.505 -4.038 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.559 6.298 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.329 7.357 -2.868 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.876 6.337 -4.654 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.040 5.446 -3.398 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.706 9.861 -3.312 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.425 8.681 -4.434 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.925 9.531 -4.877 1.00 0.00 H new ATOM 696 N ILE A 883 6.883 6.170 -2.091 1.00 0.00 N ATOM 697 CA ILE A 883 7.936 6.279 -1.120 1.00 0.00 C ATOM 698 C ILE A 883 7.983 7.709 -0.602 1.00 0.00 C ATOM 699 O ILE A 883 7.743 8.670 -1.359 1.00 0.00 O ATOM 700 CB ILE A 883 9.318 5.843 -1.709 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.402 5.806 -0.619 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.746 6.778 -2.844 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.689 5.161 -1.075 1.00 0.00 C ATOM 0 H ILE A 883 6.956 6.831 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 883 7.726 5.600 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 883 9.201 4.836 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.611 6.824 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.019 5.264 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.710 6.455 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.001 6.750 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.832 7.796 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.409 5.169 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.493 4.132 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.095 5.716 -1.921 1.00 0.00 H new ATOM 715 N GLY A 884 8.184 7.842 0.671 1.00 0.00 N ATOM 716 CA GLY A 884 8.284 9.130 1.265 1.00 0.00 C ATOM 717 C GLY A 884 9.715 9.496 1.483 1.00 0.00 C ATOM 718 O GLY A 884 10.505 8.662 1.957 1.00 0.00 O ATOM 0 H GLY A 884 8.282 7.063 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.807 9.871 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.751 9.141 2.216 1.00 0.00 H new ATOM 722 N CYS A 885 10.061 10.707 1.104 1.00 0.00 N ATOM 723 CA CYS A 885 11.386 11.227 1.297 1.00 0.00 C ATOM 724 C CYS A 885 11.592 11.484 2.771 1.00 0.00 C ATOM 725 O CYS A 885 10.658 11.883 3.480 1.00 0.00 O ATOM 726 CB CYS A 885 11.554 12.522 0.470 1.00 0.00 C ATOM 727 SG CYS A 885 13.147 13.426 0.657 1.00 0.00 S ATOM 0 H CYS A 885 9.421 11.359 0.650 1.00 0.00 H new ATOM 0 HA CYS A 885 12.136 10.512 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.427 12.271 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.744 13.202 0.735 1.00 0.00 H new ATOM 0 HG CYS A 885 13.301 14.245 -0.341 1.00 0.00 H new ATOM 732 N ASP A 886 12.771 11.246 3.242 1.00 0.00 N ATOM 733 CA ASP A 886 13.062 11.452 4.626 1.00 0.00 C ATOM 734 C ASP A 886 13.418 12.890 4.920 1.00 0.00 C ATOM 735 O ASP A 886 13.481 13.298 6.090 1.00 0.00 O ATOM 736 CB ASP A 886 14.150 10.498 5.122 1.00 0.00 C ATOM 737 CG ASP A 886 13.683 9.069 5.230 1.00 0.00 C ATOM 738 OD1 ASP A 886 12.843 8.751 6.107 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.133 8.230 4.439 1.00 0.00 O ATOM 0 H ASP A 886 13.556 10.906 2.686 1.00 0.00 H new ATOM 0 HA ASP A 886 12.150 11.226 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.002 10.545 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 886 14.501 10.833 6.098 1.00 0.00 H new ATOM 744 N ASP A 887 13.634 13.682 3.876 1.00 0.00 N ATOM 745 CA ASP A 887 14.000 15.078 4.085 1.00 0.00 C ATOM 746 C ASP A 887 12.789 15.979 3.929 1.00 0.00 C ATOM 747 O ASP A 887 12.487 16.773 4.819 1.00 0.00 O ATOM 748 CB ASP A 887 15.102 15.535 3.132 1.00 0.00 C ATOM 749 CG ASP A 887 15.728 16.861 3.546 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.028 17.906 3.549 1.00 0.00 O ATOM 751 OD2 ASP A 887 16.935 16.895 3.848 1.00 0.00 O ATOM 0 H ASP A 887 13.565 13.392 2.901 1.00 0.00 H new ATOM 0 HA ASP A 887 14.383 15.153 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.878 14.770 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.691 15.631 2.127 1.00 0.00 H new ATOM 756 N CYS A 888 12.090 15.863 2.807 1.00 0.00 N ATOM 757 CA CYS A 888 10.934 16.736 2.593 1.00 0.00 C ATOM 758 C CYS A 888 9.674 16.145 3.198 1.00 0.00 C ATOM 759 O CYS A 888 8.759 16.878 3.578 1.00 0.00 O ATOM 760 CB CYS A 888 10.725 17.106 1.100 1.00 0.00 C ATOM 761 SG CYS A 888 10.394 15.730 -0.038 1.00 0.00 S ATOM 0 H CYS A 888 12.288 15.202 2.056 1.00 0.00 H new ATOM 0 HA CYS A 888 11.153 17.668 3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.894 17.809 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 888 11.614 17.631 0.751 1.00 0.00 H new ATOM 0 HG CYS A 888 11.397 14.903 -0.022 1.00 0.00 H new ATOM 766 N ASP A 889 9.649 14.810 3.277 1.00 0.00 N ATOM 767 CA ASP A 889 8.529 14.017 3.827 1.00 0.00 C ATOM 768 C ASP A 889 7.342 14.020 2.848 1.00 0.00 C ATOM 769 O ASP A 889 6.193 13.723 3.196 1.00 0.00 O ATOM 770 CB ASP A 889 8.142 14.493 5.258 1.00 0.00 C ATOM 771 CG ASP A 889 7.149 13.590 5.982 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.559 12.537 6.531 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.954 13.950 6.088 1.00 0.00 O ATOM 0 H ASP A 889 10.424 14.231 2.954 1.00 0.00 H new ATOM 0 HA ASP A 889 8.851 12.981 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.048 14.569 5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.719 15.495 5.191 1.00 0.00 H new ATOM 778 N ASP A 890 7.626 14.335 1.594 1.00 0.00 N ATOM 779 CA ASP A 890 6.612 14.271 0.573 1.00 0.00 C ATOM 780 C ASP A 890 6.672 12.915 -0.085 1.00 0.00 C ATOM 781 O ASP A 890 7.673 12.190 0.052 1.00 0.00 O ATOM 782 CB ASP A 890 6.699 15.415 -0.459 1.00 0.00 C ATOM 783 CG ASP A 890 6.401 16.790 0.138 1.00 0.00 C ATOM 784 OD1 ASP A 890 5.301 16.986 0.723 1.00 0.00 O ATOM 785 OD2 ASP A 890 7.240 17.708 0.015 1.00 0.00 O ATOM 0 H ASP A 890 8.545 14.634 1.268 1.00 0.00 H new ATOM 0 HA ASP A 890 5.643 14.408 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.697 15.425 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 890 5.997 15.218 -1.269 1.00 0.00 H new ATOM 790 N TRP A 891 5.637 12.573 -0.795 1.00 0.00 N ATOM 791 CA TRP A 891 5.486 11.231 -1.336 1.00 0.00 C ATOM 792 C TRP A 891 5.576 11.186 -2.834 1.00 0.00 C ATOM 793 O TRP A 891 4.818 11.847 -3.521 1.00 0.00 O ATOM 794 CB TRP A 891 4.162 10.625 -0.878 1.00 0.00 C ATOM 795 CG TRP A 891 4.127 10.325 0.578 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.829 11.176 1.598 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.405 9.073 1.172 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.916 10.515 2.794 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.270 9.222 2.559 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.757 7.840 0.658 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.477 8.175 3.440 1.00 0.00 C ATOM 802 CZ3 TRP A 891 4.965 6.798 1.520 1.00 0.00 C ATOM 803 CH2 TRP A 891 4.824 6.967 2.903 1.00 0.00 C ATOM 0 H TRP A 891 4.870 13.206 -1.021 1.00 0.00 H new ATOM 0 HA TRP A 891 6.319 10.644 -0.950 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.352 11.313 -1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.978 9.707 -1.436 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.564 12.216 1.481 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.744 10.925 3.712 1.00 0.00 H new ATOM 0 HE3 TRP A 891 4.866 7.701 -0.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.369 8.307 4.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.242 5.831 1.128 1.00 0.00 H new ATOM 0 HH2 TRP A 891 4.993 6.126 3.559 1.00 0.00 H new ATOM 814 N TYR A 892 6.487 10.382 -3.321 1.00 0.00 N ATOM 815 CA TYR A 892 6.695 10.182 -4.739 1.00 0.00 C ATOM 816 C TYR A 892 6.358 8.747 -5.084 1.00 0.00 C ATOM 817 O TYR A 892 6.350 7.880 -4.200 1.00 0.00 O ATOM 818 CB TYR A 892 8.160 10.407 -5.103 1.00 0.00 C ATOM 819 CG TYR A 892 8.689 11.819 -4.984 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.912 12.411 -3.749 1.00 0.00 C ATOM 821 CD2 TYR A 892 9.019 12.538 -6.122 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.449 13.671 -3.655 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.549 13.803 -6.038 1.00 0.00 C ATOM 824 CZ TYR A 892 9.764 14.365 -4.805 1.00 0.00 C ATOM 825 OH TYR A 892 10.329 15.606 -4.715 1.00 0.00 O ATOM 0 H TYR A 892 7.119 9.836 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 892 6.065 10.885 -5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.769 9.763 -4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.308 10.075 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.659 11.872 -2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.856 12.095 -7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.624 14.116 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.794 14.351 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 892 11.139 15.558 -4.165 1.00 0.00 H new ATOM 835 N HIS A 893 6.090 8.479 -6.335 1.00 0.00 N ATOM 836 CA HIS A 893 5.847 7.107 -6.774 1.00 0.00 C ATOM 837 C HIS A 893 7.158 6.413 -7.044 1.00 0.00 C ATOM 838 O HIS A 893 8.161 7.057 -7.344 1.00 0.00 O ATOM 839 CB HIS A 893 4.991 7.023 -8.040 1.00 0.00 C ATOM 840 CG HIS A 893 3.601 7.514 -7.901 1.00 0.00 C ATOM 841 ND1 HIS A 893 3.181 8.638 -8.563 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.571 6.991 -7.203 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.892 8.775 -8.245 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.492 7.803 -7.427 1.00 0.00 N ATOM 0 H HIS A 893 6.032 9.180 -7.074 1.00 0.00 H new ATOM 0 HA HIS A 893 5.301 6.621 -5.965 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.482 7.593 -8.829 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.960 5.984 -8.369 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.736 9.242 -9.170 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.594 6.104 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.256 9.571 -8.604 1.00 0.00 H new ATOM 852 N TRP A 894 7.132 5.109 -6.978 1.00 0.00 N ATOM 853 CA TRP A 894 8.310 4.291 -7.205 1.00 0.00 C ATOM 854 C TRP A 894 8.910 4.463 -8.605 1.00 0.00 C ATOM 855 O TRP A 894 10.083 4.817 -8.711 1.00 0.00 O ATOM 856 CB TRP A 894 8.052 2.818 -6.893 1.00 0.00 C ATOM 857 CG TRP A 894 7.966 2.499 -5.444 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.916 3.375 -4.397 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.931 1.194 -4.878 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.848 2.686 -3.216 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.850 1.347 -3.484 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.953 -0.095 -5.417 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.792 0.265 -2.628 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.896 -1.171 -4.561 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.813 -0.986 -3.182 1.00 0.00 C ATOM 0 H TRP A 894 6.291 4.573 -6.764 1.00 0.00 H new ATOM 0 HA TRP A 894 9.058 4.658 -6.502 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.122 2.516 -7.374 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.849 2.221 -7.336 1.00 0.00 H new ATOM 0 HD1 TRP A 894 7.928 4.451 -4.487 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.803 3.105 -2.287 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.014 -0.244 -6.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.732 0.401 -1.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.916 -2.173 -4.963 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.764 -1.850 -2.536 1.00 0.00 H new ATOM 876 N PRO A 895 8.133 4.254 -9.715 1.00 0.00 N ATOM 877 CA PRO A 895 8.674 4.375 -11.078 1.00 0.00 C ATOM 878 C PRO A 895 9.148 5.797 -11.420 1.00 0.00 C ATOM 879 O PRO A 895 9.915 6.003 -12.359 1.00 0.00 O ATOM 880 CB PRO A 895 7.500 3.970 -11.976 1.00 0.00 C ATOM 881 CG PRO A 895 6.293 4.191 -11.144 1.00 0.00 C ATOM 882 CD PRO A 895 6.704 3.849 -9.751 1.00 0.00 C ATOM 0 HA PRO A 895 9.561 3.754 -11.205 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.470 4.572 -12.884 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.581 2.928 -12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.954 5.225 -11.211 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.467 3.562 -11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.113 4.389 -9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.580 2.786 -9.543 1.00 0.00 H new ATOM 890 N CYS A 896 8.694 6.753 -10.655 1.00 0.00 N ATOM 891 CA CYS A 896 9.041 8.127 -10.851 1.00 0.00 C ATOM 892 C CYS A 896 10.431 8.430 -10.271 1.00 0.00 C ATOM 893 O CYS A 896 11.193 9.233 -10.817 1.00 0.00 O ATOM 894 CB CYS A 896 7.967 8.965 -10.176 1.00 0.00 C ATOM 895 SG CYS A 896 6.295 8.548 -10.736 1.00 0.00 S ATOM 0 H CYS A 896 8.064 6.593 -9.869 1.00 0.00 H new ATOM 0 HA CYS A 896 9.090 8.362 -11.914 1.00 0.00 H new ATOM 0 HB2 CYS A 896 8.029 8.826 -9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 896 8.159 10.020 -10.373 1.00 0.00 H new ATOM 0 HG CYS A 896 5.580 9.631 -10.813 1.00 0.00 H new ATOM 900 N VAL A 897 10.760 7.781 -9.180 1.00 0.00 N ATOM 901 CA VAL A 897 12.033 8.025 -8.538 1.00 0.00 C ATOM 902 C VAL A 897 13.032 6.888 -8.741 1.00 0.00 C ATOM 903 O VAL A 897 14.186 6.982 -8.316 1.00 0.00 O ATOM 904 CB VAL A 897 11.876 8.349 -7.045 1.00 0.00 C ATOM 905 CG1 VAL A 897 11.128 9.655 -6.873 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.155 7.233 -6.321 1.00 0.00 C ATOM 0 H VAL A 897 10.172 7.086 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 897 12.444 8.905 -9.033 1.00 0.00 H new ATOM 0 HB VAL A 897 12.870 8.448 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 897 11.022 9.876 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.683 10.459 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 897 10.141 9.571 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.057 7.488 -5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.164 7.098 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.724 6.308 -6.420 1.00 0.00 H new ATOM 916 N GLY A 898 12.593 5.818 -9.354 1.00 0.00 N ATOM 917 CA GLY A 898 13.484 4.722 -9.655 1.00 0.00 C ATOM 918 C GLY A 898 13.535 3.718 -8.539 1.00 0.00 C ATOM 919 O GLY A 898 14.518 2.989 -8.384 1.00 0.00 O ATOM 0 H GLY A 898 11.628 5.681 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.157 4.230 -10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.486 5.109 -9.841 1.00 0.00 H new ATOM 923 N ILE A 899 12.497 3.684 -7.750 1.00 0.00 N ATOM 924 CA ILE A 899 12.414 2.737 -6.674 1.00 0.00 C ATOM 925 C ILE A 899 11.720 1.490 -7.193 1.00 0.00 C ATOM 926 O ILE A 899 10.710 1.576 -7.892 1.00 0.00 O ATOM 927 CB ILE A 899 11.692 3.323 -5.418 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.533 4.433 -4.774 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.387 2.242 -4.383 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.803 3.957 -4.116 1.00 0.00 C ATOM 0 H ILE A 899 11.692 4.305 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 899 13.420 2.488 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 899 10.746 3.742 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.788 5.167 -5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.924 4.947 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.885 2.690 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.740 1.485 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.318 1.778 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.332 4.808 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.559 3.247 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.437 3.471 -4.858 1.00 0.00 H new ATOM 942 N MET A 900 12.298 0.356 -6.926 1.00 0.00 N ATOM 943 CA MET A 900 11.767 -0.901 -7.390 1.00 0.00 C ATOM 944 C MET A 900 11.337 -1.774 -6.227 1.00 0.00 C ATOM 945 O MET A 900 10.444 -2.613 -6.367 1.00 0.00 O ATOM 946 CB MET A 900 12.810 -1.618 -8.230 1.00 0.00 C ATOM 947 CG MET A 900 13.177 -0.882 -9.507 1.00 0.00 C ATOM 948 SD MET A 900 14.542 -1.656 -10.403 1.00 0.00 S ATOM 949 CE MET A 900 15.885 -1.418 -9.221 1.00 0.00 C ATOM 0 H MET A 900 13.154 0.272 -6.379 1.00 0.00 H new ATOM 0 HA MET A 900 10.887 -0.701 -8.001 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.710 -1.761 -7.632 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.438 -2.610 -8.487 1.00 0.00 H new ATOM 0 HG2 MET A 900 12.303 -0.836 -10.157 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.447 0.145 -9.263 1.00 0.00 H new ATOM 0 HE1 MET A 900 16.841 -1.470 -9.742 1.00 0.00 H new ATOM 0 HE2 MET A 900 15.783 -0.442 -8.746 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.843 -2.198 -8.461 1.00 0.00 H new ATOM 959 N ALA A 901 11.938 -1.565 -5.089 1.00 0.00 N ATOM 960 CA ALA A 901 11.638 -2.342 -3.912 1.00 0.00 C ATOM 961 C ALA A 901 11.564 -1.428 -2.723 1.00 0.00 C ATOM 962 O ALA A 901 12.224 -0.393 -2.702 1.00 0.00 O ATOM 963 CB ALA A 901 12.690 -3.410 -3.697 1.00 0.00 C ATOM 0 H ALA A 901 12.652 -0.850 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 901 10.677 -2.840 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.447 -3.986 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.716 -4.074 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.665 -2.940 -3.571 1.00 0.00 H new ATOM 969 N ALA A 902 10.762 -1.795 -1.757 1.00 0.00 N ATOM 970 CA ALA A 902 10.555 -0.984 -0.577 1.00 0.00 C ATOM 971 C ALA A 902 11.698 -1.128 0.407 1.00 0.00 C ATOM 972 O ALA A 902 11.999 -2.245 0.841 1.00 0.00 O ATOM 973 CB ALA A 902 9.254 -1.381 0.107 1.00 0.00 C ATOM 0 H ALA A 902 10.231 -2.666 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 902 10.506 0.056 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.107 -0.765 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.421 -1.232 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.301 -2.430 0.398 1.00 0.00 H new ATOM 979 N PRO A 903 12.389 -0.031 0.743 1.00 0.00 N ATOM 980 CA PRO A 903 13.370 -0.050 1.787 1.00 0.00 C ATOM 981 C PRO A 903 12.675 0.205 3.138 1.00 0.00 C ATOM 982 O PRO A 903 11.508 0.661 3.166 1.00 0.00 O ATOM 983 CB PRO A 903 14.323 1.114 1.427 1.00 0.00 C ATOM 984 CG PRO A 903 13.669 1.868 0.310 1.00 0.00 C ATOM 985 CD PRO A 903 12.286 1.300 0.134 1.00 0.00 C ATOM 0 HA PRO A 903 13.900 -0.999 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 903 14.487 1.762 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.299 0.736 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 903 13.621 2.932 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.245 1.768 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 903 11.533 1.912 0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.006 1.241 -0.918 1.00 0.00 H new ATOM 993 N PRO A 904 13.339 -0.101 4.257 1.00 0.00 N ATOM 994 CA PRO A 904 12.767 0.114 5.578 1.00 0.00 C ATOM 995 C PRO A 904 12.542 1.604 5.871 1.00 0.00 C ATOM 996 O PRO A 904 13.298 2.468 5.403 1.00 0.00 O ATOM 997 CB PRO A 904 13.792 -0.490 6.544 1.00 0.00 C ATOM 998 CG PRO A 904 15.062 -0.592 5.768 1.00 0.00 C ATOM 999 CD PRO A 904 14.683 -0.689 4.317 1.00 0.00 C ATOM 0 HA PRO A 904 11.784 -0.347 5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 904 13.920 0.140 7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 904 13.469 -1.469 6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 904 15.693 0.279 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 904 15.634 -1.467 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 904 15.385 -0.145 3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 904 14.681 -1.724 3.974 1.00 0.00 H new ATOM 1007 N GLU A 905 11.534 1.890 6.672 1.00 0.00 N ATOM 1008 CA GLU A 905 11.129 3.259 6.977 1.00 0.00 C ATOM 1009 C GLU A 905 12.228 4.057 7.677 1.00 0.00 C ATOM 1010 O GLU A 905 12.379 5.254 7.437 1.00 0.00 O ATOM 1011 CB GLU A 905 9.811 3.318 7.779 1.00 0.00 C ATOM 1012 CG GLU A 905 9.855 2.740 9.193 1.00 0.00 C ATOM 1013 CD GLU A 905 10.151 1.263 9.241 1.00 0.00 C ATOM 1014 OE1 GLU A 905 9.240 0.460 9.010 1.00 0.00 O ATOM 1015 OE2 GLU A 905 11.303 0.878 9.516 1.00 0.00 O ATOM 0 H GLU A 905 10.967 1.180 7.134 1.00 0.00 H new ATOM 0 HA GLU A 905 10.949 3.733 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 905 9.496 4.359 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 905 9.043 2.788 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 905 10.613 3.271 9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 905 8.898 2.925 9.680 1.00 0.00 H new ATOM 1022 N GLU A 906 12.991 3.393 8.516 1.00 0.00 N ATOM 1023 CA GLU A 906 14.084 4.035 9.235 1.00 0.00 C ATOM 1024 C GLU A 906 15.295 4.317 8.329 1.00 0.00 C ATOM 1025 O GLU A 906 16.121 5.193 8.636 1.00 0.00 O ATOM 1026 CB GLU A 906 14.494 3.210 10.443 1.00 0.00 C ATOM 1027 CG GLU A 906 14.787 1.764 10.121 1.00 0.00 C ATOM 1028 CD GLU A 906 15.323 1.020 11.296 1.00 0.00 C ATOM 1029 OE1 GLU A 906 14.566 0.774 12.250 1.00 0.00 O ATOM 1030 OE2 GLU A 906 16.514 0.636 11.287 1.00 0.00 O ATOM 0 H GLU A 906 12.878 2.401 8.723 1.00 0.00 H new ATOM 0 HA GLU A 906 13.714 5.000 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 906 15.379 3.659 10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 906 13.699 3.253 11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 906 13.875 1.280 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 906 15.506 1.715 9.304 1.00 0.00 H new ATOM 1037 N MET A 907 15.408 3.588 7.230 1.00 0.00 N ATOM 1038 CA MET A 907 16.483 3.824 6.281 1.00 0.00 C ATOM 1039 C MET A 907 16.189 5.098 5.556 1.00 0.00 C ATOM 1040 O MET A 907 15.043 5.357 5.210 1.00 0.00 O ATOM 1041 CB MET A 907 16.624 2.673 5.286 1.00 0.00 C ATOM 1042 CG MET A 907 17.657 2.911 4.191 1.00 0.00 C ATOM 1043 SD MET A 907 17.778 1.540 3.036 1.00 0.00 S ATOM 1044 CE MET A 907 19.040 2.169 1.928 1.00 0.00 C ATOM 0 H MET A 907 14.772 2.832 6.974 1.00 0.00 H new ATOM 0 HA MET A 907 17.427 3.895 6.821 1.00 0.00 H new ATOM 0 HB2 MET A 907 16.892 1.768 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 907 15.655 2.490 4.821 1.00 0.00 H new ATOM 0 HG2 MET A 907 17.398 3.818 3.645 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.632 3.082 4.648 1.00 0.00 H new ATOM 0 HE1 MET A 907 19.236 1.435 1.146 1.00 0.00 H new ATOM 0 HE2 MET A 907 18.696 3.099 1.475 1.00 0.00 H new ATOM 0 HE3 MET A 907 19.956 2.356 2.489 1.00 0.00 H new ATOM 1054 N GLN A 908 17.192 5.885 5.350 1.00 0.00 N ATOM 1055 CA GLN A 908 17.015 7.161 4.736 1.00 0.00 C ATOM 1056 C GLN A 908 17.074 7.060 3.251 1.00 0.00 C ATOM 1057 O GLN A 908 17.897 6.332 2.679 1.00 0.00 O ATOM 1058 CB GLN A 908 18.060 8.145 5.195 1.00 0.00 C ATOM 1059 CG GLN A 908 18.103 8.347 6.694 1.00 0.00 C ATOM 1060 CD GLN A 908 16.850 9.006 7.221 1.00 0.00 C ATOM 1061 OE1 GLN A 908 16.775 10.231 7.327 1.00 0.00 O ATOM 1062 NE2 GLN A 908 15.849 8.220 7.509 1.00 0.00 N ATOM 0 H GLN A 908 18.155 5.664 5.601 1.00 0.00 H new ATOM 0 HA GLN A 908 16.030 7.516 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 908 19.038 7.803 4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.875 9.106 4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 908 18.237 7.383 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.968 8.959 6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 908 15.949 7.210 7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 908 14.967 8.616 7.834 1.00 0.00 H new ATOM 1071 N TRP A 909 16.212 7.763 2.660 1.00 0.00 N ATOM 1072 CA TRP A 909 16.124 7.919 1.249 1.00 0.00 C ATOM 1073 C TRP A 909 15.627 9.314 1.001 1.00 0.00 C ATOM 1074 O TRP A 909 14.747 9.801 1.719 1.00 0.00 O ATOM 1075 CB TRP A 909 15.179 6.874 0.622 1.00 0.00 C ATOM 1076 CG TRP A 909 14.985 7.039 -0.858 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.698 6.450 -1.862 1.00 0.00 C ATOM 1078 CD2 TRP A 909 13.999 7.856 -1.489 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.220 6.878 -3.082 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.173 7.737 -2.870 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.987 8.683 -1.004 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.372 8.416 -3.771 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.194 9.356 -1.894 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.387 9.220 -3.266 1.00 0.00 C ATOM 0 H TRP A 909 15.495 8.286 3.163 1.00 0.00 H new ATOM 0 HA TRP A 909 17.098 7.762 0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.574 5.877 0.818 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.209 6.934 1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.512 5.755 -1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.585 6.601 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.831 8.791 0.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.519 8.315 -4.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.409 10.001 -1.527 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.746 9.761 -3.946 1.00 0.00 H new ATOM 1095 N PHE A 910 16.177 9.960 0.026 1.00 0.00 N ATOM 1096 CA PHE A 910 15.819 11.311 -0.261 1.00 0.00 C ATOM 1097 C PHE A 910 15.502 11.415 -1.728 1.00 0.00 C ATOM 1098 O PHE A 910 16.180 10.785 -2.554 1.00 0.00 O ATOM 1099 CB PHE A 910 16.967 12.247 0.138 1.00 0.00 C ATOM 1100 CG PHE A 910 17.412 12.050 1.564 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.626 12.481 2.607 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.611 11.413 1.853 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.013 12.288 3.916 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.006 11.218 3.162 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.200 11.657 4.196 1.00 0.00 C ATOM 0 H PHE A 910 16.886 9.568 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 910 14.941 11.609 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.814 12.081 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.651 13.281 0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.691 12.979 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.241 11.067 1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.382 12.633 4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.942 10.724 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.503 11.504 5.221 1.00 0.00 H new ATOM 1115 N CYS A 911 14.473 12.160 -2.052 1.00 0.00 N ATOM 1116 CA CYS A 911 14.014 12.293 -3.420 1.00 0.00 C ATOM 1117 C CYS A 911 15.064 12.994 -4.296 1.00 0.00 C ATOM 1118 O CYS A 911 15.957 13.646 -3.765 1.00 0.00 O ATOM 1119 CB CYS A 911 12.684 13.062 -3.435 1.00 0.00 C ATOM 1120 SG CYS A 911 12.748 14.787 -2.856 1.00 0.00 S ATOM 0 H CYS A 911 13.927 12.694 -1.376 1.00 0.00 H new ATOM 0 HA CYS A 911 13.859 11.299 -3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.296 13.056 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.967 12.520 -2.818 1.00 0.00 H new ATOM 0 HG CYS A 911 11.888 14.954 -1.895 1.00 0.00 H new ATOM 1125 N PRO A 912 14.964 12.893 -5.648 1.00 0.00 N ATOM 1126 CA PRO A 912 15.906 13.548 -6.585 1.00 0.00 C ATOM 1127 C PRO A 912 16.025 15.077 -6.388 1.00 0.00 C ATOM 1128 O PRO A 912 16.921 15.707 -6.934 1.00 0.00 O ATOM 1129 CB PRO A 912 15.319 13.233 -7.971 1.00 0.00 C ATOM 1130 CG PRO A 912 13.923 12.781 -7.709 1.00 0.00 C ATOM 1131 CD PRO A 912 13.970 12.093 -6.387 1.00 0.00 C ATOM 0 HA PRO A 912 16.920 13.179 -6.433 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.334 14.113 -8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.896 12.458 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.234 13.626 -7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.576 12.106 -8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.998 12.096 -5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.277 11.051 -6.482 1.00 0.00 H new ATOM 1139 N LYS A 913 15.115 15.660 -5.625 1.00 0.00 N ATOM 1140 CA LYS A 913 15.178 17.074 -5.334 1.00 0.00 C ATOM 1141 C LYS A 913 15.948 17.289 -4.036 1.00 0.00 C ATOM 1142 O LYS A 913 16.911 18.074 -3.984 1.00 0.00 O ATOM 1143 CB LYS A 913 13.780 17.681 -5.242 1.00 0.00 C ATOM 1144 CG LYS A 913 12.965 17.534 -6.512 1.00 0.00 C ATOM 1145 CD LYS A 913 11.629 18.241 -6.396 1.00 0.00 C ATOM 1146 CE LYS A 913 10.796 18.062 -7.652 1.00 0.00 C ATOM 1147 NZ LYS A 913 11.497 18.550 -8.861 1.00 0.00 N ATOM 0 H LYS A 913 14.327 15.173 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 913 15.698 17.578 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.242 17.209 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.869 18.740 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 913 13.523 17.943 -7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.802 16.477 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 913 11.083 17.851 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.792 19.303 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 913 10.551 17.007 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 913 9.853 18.597 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 10.823 18.615 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 11.901 19.490 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 12.260 17.889 -9.110 1.00 0.00 H new ATOM 1161 N CYS A 914 15.569 16.554 -3.003 1.00 0.00 N ATOM 1162 CA CYS A 914 16.229 16.664 -1.735 1.00 0.00 C ATOM 1163 C CYS A 914 17.625 16.076 -1.757 1.00 0.00 C ATOM 1164 O CYS A 914 18.550 16.694 -1.307 1.00 0.00 O ATOM 1165 CB CYS A 914 15.380 16.089 -0.613 1.00 0.00 C ATOM 1166 SG CYS A 914 13.912 17.090 -0.230 1.00 0.00 S ATOM 0 H CYS A 914 14.806 15.878 -3.029 1.00 0.00 H new ATOM 0 HA CYS A 914 16.352 17.728 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.063 15.083 -0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 914 15.992 15.997 0.284 1.00 0.00 H new ATOM 0 HG CYS A 914 12.850 16.342 -0.284 1.00 0.00 H new ATOM 1171 N ALA A 915 17.787 14.946 -2.369 1.00 0.00 N ATOM 1172 CA ALA A 915 19.083 14.285 -2.433 1.00 0.00 C ATOM 1173 C ALA A 915 20.079 15.097 -3.267 1.00 0.00 C ATOM 1174 O ALA A 915 21.284 14.871 -3.225 1.00 0.00 O ATOM 1175 CB ALA A 915 18.947 12.877 -2.967 1.00 0.00 C ATOM 0 H ALA A 915 17.036 14.444 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 915 19.475 14.222 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 915 19.929 12.406 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.293 12.301 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.521 12.908 -3.970 1.00 0.00 H new ATOM 1181 N ASN A 916 19.542 16.035 -4.010 1.00 0.00 N ATOM 1182 CA ASN A 916 20.309 16.918 -4.875 1.00 0.00 C ATOM 1183 C ASN A 916 20.809 18.089 -4.028 1.00 0.00 C ATOM 1184 O ASN A 916 21.980 18.468 -4.082 1.00 0.00 O ATOM 1185 CB ASN A 916 19.396 17.406 -6.033 1.00 0.00 C ATOM 1186 CG ASN A 916 20.072 18.252 -7.121 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.033 18.978 -6.885 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.549 18.175 -8.319 1.00 0.00 N ATOM 0 H ASN A 916 18.538 16.215 -4.035 1.00 0.00 H new ATOM 0 HA ASN A 916 21.165 16.404 -5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 916 18.949 16.533 -6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.581 17.988 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 916 19.940 18.726 -9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 916 18.750 17.564 -8.488 1.00 0.00 H new ATOM 1195 N LYS A 917 19.932 18.606 -3.173 1.00 0.00 N ATOM 1196 CA LYS A 917 20.280 19.731 -2.307 1.00 0.00 C ATOM 1197 C LYS A 917 21.244 19.250 -1.201 1.00 0.00 C ATOM 1198 O LYS A 917 22.096 20.000 -0.734 1.00 0.00 O ATOM 1199 CB LYS A 917 19.009 20.370 -1.695 1.00 0.00 C ATOM 1200 CG LYS A 917 18.398 19.540 -0.598 1.00 0.00 C ATOM 1201 CD LYS A 917 17.034 19.994 -0.165 1.00 0.00 C ATOM 1202 CE LYS A 917 16.563 19.097 0.959 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.143 19.293 1.312 1.00 0.00 N ATOM 0 H LYS A 917 18.977 18.266 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 917 20.778 20.497 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 917 19.259 21.355 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 917 18.270 20.520 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.334 18.505 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.063 19.554 0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 917 17.068 21.031 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 917 16.337 19.950 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 917 16.718 18.057 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.177 19.280 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.007 19.100 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 14.866 20.274 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 14.554 18.643 0.754 1.00 0.00 H new ATOM 1217 N ILE A 918 21.116 17.970 -0.841 1.00 0.00 N ATOM 1218 CA ILE A 918 21.955 17.324 0.176 1.00 0.00 C ATOM 1219 C ILE A 918 23.337 17.019 -0.416 1.00 0.00 C ATOM 1220 O ILE A 918 24.314 16.754 0.296 1.00 0.00 O ATOM 1221 CB ILE A 918 21.264 16.009 0.686 1.00 0.00 C ATOM 1222 CG1 ILE A 918 19.889 16.344 1.268 1.00 0.00 C ATOM 1223 CG2 ILE A 918 22.112 15.267 1.716 1.00 0.00 C ATOM 1224 CD1 ILE A 918 19.135 15.159 1.826 1.00 0.00 C ATOM 0 H ILE A 918 20.421 17.346 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 918 22.080 17.996 1.025 1.00 0.00 H new ATOM 0 HB ILE A 918 21.151 15.342 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 918 20.014 17.083 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 918 19.284 16.809 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 918 21.589 14.366 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 918 23.068 14.993 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 918 22.285 15.912 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 918 18.173 15.491 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 918 18.973 14.426 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 918 19.715 14.704 2.629 1.00 0.00 H new