USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=20 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 907 MET CE :methyl -163:sc= -0.0661 (180deg=-0.43) USER MOD Set 1.2: P 1 ALA N :NH3+ 149:sc= 1.91 (180deg=1.09) USER MOD Set 2.1: A 885 CYS SG : rot -175:sc= 0.0428! USER MOD Set 2.2: A 888 CYS SG : rot -52:sc= 1 USER MOD Set 2.3: A 892 TYR OH : rot 52:sc= 2.28 USER MOD Set 2.4: A 911 CYS SG : rot -115:sc= 1.3 USER MOD Set 2.5: A 913 LYS NZ :NH3+ 159:sc= 1.25 (180deg=-0.377) USER MOD Set 2.6: A 914 CYS SG : rot 96:sc= 0.908 USER MOD Set 2.7: A 917 LYS NZ :NH3+ -157:sc= 2.42 (180deg=1.15) USER MOD Set 3.1: A 870 CYS SG : rot -169:sc= 1.26 USER MOD Set 3.2: A 873 CYS SG : rot -61:sc= -0.361 USER MOD Set 3.3: A 880 SER OG : rot -14:sc= 0.106 USER MOD Set 3.4: A 893 HIS : no HE2:sc= -2.62! K(o=-5.1!,f=-6.2) USER MOD Set 3.5: A 896 CYS SG : rot -142:sc= -3.49! USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.27) USER MOD Single : A 866 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.097) USER MOD Single : A 874 ASN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 875 LYS NZ :NH3+ -169:sc=-0.00215 (180deg=-0.132) USER MOD Single : A 882 MET CE :methyl -118:sc= -0.023 (180deg=-1.19) USER MOD Single : A 900 MET CE :methyl -160:sc= -0.129 (180deg=-0.628) USER MOD Single : A 908 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.54) USER MOD Single : A 916 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : P 3 THR OG1 : rot 150:sc= 0 USER MOD Single : P 5 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.1!) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 12.304 6.942 3.627 1.00 0.00 N ATOM 2 CA ALA P 1 12.052 5.825 2.725 1.00 0.00 C ATOM 3 C ALA P 1 10.866 4.999 3.161 1.00 0.00 C ATOM 4 O ALA P 1 10.775 3.829 2.801 1.00 0.00 O ATOM 5 CB ALA P 1 13.273 4.944 2.561 1.00 0.00 C ATOM 0 H1 ALA P 1 13.323 7.151 3.645 1.00 0.00 H new ATOM 0 H2 ALA P 1 11.785 7.780 3.295 1.00 0.00 H new ATOM 0 H3 ALA P 1 11.984 6.694 4.585 1.00 0.00 H new ATOM 0 HA ALA P 1 11.817 6.265 1.756 1.00 0.00 H new ATOM 0 HB1 ALA P 1 13.041 4.124 1.881 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.094 5.533 2.153 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.563 4.540 3.531 1.00 0.00 H new ATOM 13 N ARG P 2 9.947 5.595 3.921 1.00 0.00 N ATOM 14 CA ARG P 2 8.761 4.879 4.369 1.00 0.00 C ATOM 15 C ARG P 2 7.983 4.478 3.130 1.00 0.00 C ATOM 16 O ARG P 2 7.744 5.309 2.257 1.00 0.00 O ATOM 17 CB ARG P 2 7.880 5.797 5.227 1.00 0.00 C ATOM 18 CG ARG P 2 7.123 5.116 6.377 1.00 0.00 C ATOM 19 CD ARG P 2 6.173 3.989 5.947 1.00 0.00 C ATOM 20 NE ARG P 2 5.474 3.403 7.107 1.00 0.00 N ATOM 21 CZ ARG P 2 4.697 2.299 7.100 1.00 0.00 C ATOM 22 NH1 ARG P 2 4.551 1.573 6.003 1.00 0.00 N ATOM 23 NH2 ARG P 2 4.092 1.921 8.218 1.00 0.00 N ATOM 0 H ARG P 2 10.003 6.564 4.235 1.00 0.00 H new ATOM 0 HA ARG P 2 9.047 4.011 4.963 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.508 6.583 5.646 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.153 6.283 4.576 1.00 0.00 H new ATOM 0 HG2 ARG P 2 7.850 4.710 7.081 1.00 0.00 H new ATOM 0 HG3 ARG P 2 6.548 5.872 6.912 1.00 0.00 H new ATOM 0 HD2 ARG P 2 5.442 4.378 5.238 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.737 3.213 5.430 1.00 0.00 H new ATOM 0 HE ARG P 2 5.589 3.879 8.002 1.00 0.00 H new ATOM 0 HH11 ARG P 2 5.030 1.845 5.144 1.00 0.00 H new ATOM 0 HH12 ARG P 2 3.960 0.742 6.016 1.00 0.00 H new ATOM 0 HH21 ARG P 2 4.216 2.463 9.073 1.00 0.00 H new ATOM 0 HH22 ARG P 2 3.503 1.088 8.223 1.00 0.00 H new ATOM 37 N THR P 3 7.656 3.242 3.021 1.00 0.00 N ATOM 38 CA THR P 3 6.910 2.774 1.907 1.00 0.00 C ATOM 39 C THR P 3 5.573 2.274 2.377 1.00 0.00 C ATOM 40 O THR P 3 5.462 1.787 3.492 1.00 0.00 O ATOM 41 CB THR P 3 7.666 1.652 1.181 1.00 0.00 C ATOM 42 OG1 THR P 3 8.020 0.618 2.122 1.00 0.00 O ATOM 43 CG2 THR P 3 8.920 2.201 0.517 1.00 0.00 C ATOM 0 H THR P 3 7.898 2.523 3.703 1.00 0.00 H new ATOM 0 HA THR P 3 6.766 3.597 1.207 1.00 0.00 H new ATOM 0 HB THR P 3 7.020 1.233 0.410 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.047 -0.247 1.663 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.445 1.393 0.007 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.643 2.968 -0.206 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.572 2.636 1.274 1.00 0.00 H new ATOM 82 N GLN P 5 1.574 0.930 0.542 1.00 0.00 N ATOM 83 CA GLN P 5 0.759 0.745 -0.616 1.00 0.00 C ATOM 84 C GLN P 5 -0.663 0.563 -0.157 1.00 0.00 C ATOM 85 O GLN P 5 -0.977 -0.414 0.521 1.00 0.00 O ATOM 86 CB GLN P 5 1.205 -0.487 -1.375 1.00 0.00 C ATOM 87 CG GLN P 5 0.629 -0.549 -2.766 1.00 0.00 C ATOM 88 CD GLN P 5 1.061 -1.758 -3.520 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.131 -2.318 -3.274 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.288 -2.136 -4.475 1.00 0.00 N ATOM 0 HA GLN P 5 0.844 1.609 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.293 -0.498 -1.435 1.00 0.00 H new ATOM 0 HB3 GLN P 5 0.907 -1.378 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.459 -0.536 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN P 5 0.928 0.343 -3.317 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.590 -1.645 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.552 -2.927 -5.062 1.00 0.00 H new ATOM 99 N THR P 6 -1.516 1.488 -0.478 1.00 0.00 N ATOM 100 CA THR P 6 -2.881 1.387 -0.057 1.00 0.00 C ATOM 101 C THR P 6 -3.775 0.928 -1.221 1.00 0.00 C ATOM 102 O THR P 6 -4.637 1.646 -1.727 1.00 0.00 O ATOM 103 CB THR P 6 -3.378 2.685 0.679 1.00 0.00 C ATOM 104 OG1 THR P 6 -4.732 2.555 1.149 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.233 3.939 -0.183 1.00 0.00 C ATOM 0 H THR P 6 -1.293 2.318 -1.028 1.00 0.00 H new ATOM 0 HA THR P 6 -2.954 0.609 0.703 1.00 0.00 H new ATOM 0 HB THR P 6 -2.727 2.802 1.545 1.00 0.00 H new ATOM 0 HG1 THR P 6 -5.002 3.381 1.601 1.00 0.00 H new ATOM 0 HG21 THR P 6 -3.590 4.806 0.373 1.00 0.00 H new ATOM 0 HG22 THR P 6 -2.184 4.082 -0.444 1.00 0.00 H new ATOM 0 HG23 THR P 6 -3.821 3.824 -1.094 1.00 0.00 H new ATOM 301 N TYR A 857 1.608 18.801 -1.302 1.00 0.00 N ATOM 302 CA TYR A 857 1.245 17.728 -2.188 1.00 0.00 C ATOM 303 C TYR A 857 0.389 16.678 -1.544 1.00 0.00 C ATOM 304 O TYR A 857 0.751 15.510 -1.423 1.00 0.00 O ATOM 305 CB TYR A 857 2.449 17.157 -2.889 1.00 0.00 C ATOM 306 CG TYR A 857 3.059 18.133 -3.869 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.575 18.236 -5.167 1.00 0.00 C ATOM 308 CD2 TYR A 857 4.087 18.980 -3.491 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.099 19.138 -6.055 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.614 19.892 -4.372 1.00 0.00 C ATOM 311 CZ TYR A 857 4.115 19.965 -5.652 1.00 0.00 C ATOM 312 OH TYR A 857 4.634 20.871 -6.528 1.00 0.00 O ATOM 0 HA TYR A 857 0.608 18.169 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 857 3.197 16.874 -2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 857 2.162 16.247 -3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.768 17.591 -5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.481 18.922 -2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 857 2.715 19.197 -7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.415 20.547 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 857 5.345 21.381 -6.088 1.00 0.00 H new ATOM 322 N VAL A 858 -0.738 17.122 -1.141 1.00 0.00 N ATOM 323 CA VAL A 858 -1.741 16.322 -0.529 1.00 0.00 C ATOM 324 C VAL A 858 -3.096 17.005 -0.688 1.00 0.00 C ATOM 325 O VAL A 858 -3.258 18.200 -0.399 1.00 0.00 O ATOM 326 CB VAL A 858 -1.422 15.997 0.973 1.00 0.00 C ATOM 327 CG1 VAL A 858 -1.294 17.257 1.831 1.00 0.00 C ATOM 328 CG2 VAL A 858 -2.455 15.044 1.554 1.00 0.00 C ATOM 0 H VAL A 858 -1.006 18.102 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.766 15.357 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 858 -0.449 15.505 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -1.073 16.975 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -0.488 17.880 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.230 17.815 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -2.212 14.834 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -3.443 15.500 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -2.451 14.113 0.986 1.00 0.00 H new ATOM 338 N ILE A 859 -4.022 16.279 -1.225 1.00 0.00 N ATOM 339 CA ILE A 859 -5.371 16.739 -1.424 1.00 0.00 C ATOM 340 C ILE A 859 -6.286 15.724 -0.795 1.00 0.00 C ATOM 341 O ILE A 859 -5.831 14.666 -0.379 1.00 0.00 O ATOM 342 CB ILE A 859 -5.737 16.888 -2.938 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.631 15.533 -3.670 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.861 17.948 -3.608 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.071 15.569 -5.123 1.00 0.00 C ATOM 0 H ILE A 859 -3.864 15.324 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.476 17.726 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.773 17.220 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.598 15.189 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.235 14.798 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.134 18.034 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.011 18.908 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.813 17.658 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -5.964 14.576 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.114 15.880 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.451 16.277 -5.673 1.00 0.00 H new ATOM 357 N ARG A 860 -7.532 16.023 -0.693 1.00 0.00 N ATOM 358 CA ARG A 860 -8.461 15.054 -0.179 1.00 0.00 C ATOM 359 C ARG A 860 -9.255 14.489 -1.339 1.00 0.00 C ATOM 360 O ARG A 860 -9.541 15.201 -2.317 1.00 0.00 O ATOM 361 CB ARG A 860 -9.383 15.655 0.890 1.00 0.00 C ATOM 362 CG ARG A 860 -10.246 16.786 0.394 1.00 0.00 C ATOM 363 CD ARG A 860 -11.127 17.338 1.486 1.00 0.00 C ATOM 364 NE ARG A 860 -11.944 18.449 0.997 1.00 0.00 N ATOM 365 CZ ARG A 860 -12.649 19.287 1.761 1.00 0.00 C ATOM 366 NH1 ARG A 860 -12.740 19.095 3.074 1.00 0.00 N ATOM 367 NH2 ARG A 860 -13.290 20.302 1.201 1.00 0.00 N ATOM 0 H ARG A 860 -7.939 16.921 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 860 -7.908 14.254 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.026 14.868 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.774 16.014 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -9.613 17.581 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -10.866 16.435 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.774 16.549 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.510 17.676 2.319 1.00 0.00 H new ATOM 0 HE ARG A 860 -11.978 18.596 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.268 18.301 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -13.281 19.742 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -13.243 20.440 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -13.830 20.946 1.779 1.00 0.00 H new ATOM 381 N ASP A 861 -9.567 13.224 -1.273 1.00 0.00 N ATOM 382 CA ASP A 861 -10.332 12.593 -2.331 1.00 0.00 C ATOM 383 C ASP A 861 -11.815 12.769 -2.039 1.00 0.00 C ATOM 384 O ASP A 861 -12.185 13.400 -1.045 1.00 0.00 O ATOM 385 CB ASP A 861 -9.993 11.090 -2.458 1.00 0.00 C ATOM 386 CG ASP A 861 -10.768 10.204 -1.509 1.00 0.00 C ATOM 387 OD1 ASP A 861 -10.547 10.247 -0.302 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.634 9.474 -1.978 1.00 0.00 O ATOM 0 H ASP A 861 -9.308 12.606 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.075 13.068 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -10.189 10.769 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -8.927 10.952 -2.279 1.00 0.00 H new ATOM 393 N GLU A 862 -12.644 12.190 -2.879 1.00 0.00 N ATOM 394 CA GLU A 862 -14.084 12.263 -2.746 1.00 0.00 C ATOM 395 C GLU A 862 -14.587 11.647 -1.425 1.00 0.00 C ATOM 396 O GLU A 862 -15.574 12.122 -0.852 1.00 0.00 O ATOM 397 CB GLU A 862 -14.741 11.622 -3.961 1.00 0.00 C ATOM 398 CG GLU A 862 -14.308 10.195 -4.216 1.00 0.00 C ATOM 399 CD GLU A 862 -14.726 9.724 -5.568 1.00 0.00 C ATOM 400 OE1 GLU A 862 -13.977 9.957 -6.539 1.00 0.00 O ATOM 401 OE2 GLU A 862 -15.799 9.128 -5.703 1.00 0.00 O ATOM 0 H GLU A 862 -12.334 11.648 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.370 13.314 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -15.823 11.644 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.514 12.222 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -13.224 10.122 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -14.737 9.543 -3.455 1.00 0.00 H new ATOM 408 N TRP A 863 -13.893 10.633 -0.918 1.00 0.00 N ATOM 409 CA TRP A 863 -14.284 10.015 0.337 1.00 0.00 C ATOM 410 C TRP A 863 -13.758 10.832 1.510 1.00 0.00 C ATOM 411 O TRP A 863 -14.361 10.859 2.584 1.00 0.00 O ATOM 412 CB TRP A 863 -13.806 8.568 0.438 1.00 0.00 C ATOM 413 CG TRP A 863 -14.251 7.703 -0.688 1.00 0.00 C ATOM 414 CD1 TRP A 863 -15.487 7.636 -1.220 1.00 0.00 C ATOM 415 CD2 TRP A 863 -13.455 6.765 -1.398 1.00 0.00 C ATOM 416 NE1 TRP A 863 -15.511 6.726 -2.250 1.00 0.00 N ATOM 417 CE2 TRP A 863 -14.268 6.173 -2.373 1.00 0.00 C ATOM 418 CE3 TRP A 863 -12.127 6.384 -1.302 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -13.790 5.211 -3.251 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -11.643 5.426 -2.169 1.00 0.00 C ATOM 421 CH2 TRP A 863 -12.475 4.849 -3.134 1.00 0.00 C ATOM 0 H TRP A 863 -13.065 10.227 -1.354 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.373 9.998 0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -12.717 8.558 0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.166 8.142 1.374 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -16.336 8.214 -0.886 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -16.322 6.501 -2.826 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -11.481 6.830 -0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -14.430 4.765 -3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -10.610 5.118 -2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -12.071 4.102 -3.801 1.00 0.00 H new ATOM 432 N GLY A 864 -12.636 11.498 1.307 1.00 0.00 N ATOM 433 CA GLY A 864 -12.089 12.367 2.335 1.00 0.00 C ATOM 434 C GLY A 864 -10.774 11.868 2.902 1.00 0.00 C ATOM 435 O GLY A 864 -10.408 12.196 4.038 1.00 0.00 O ATOM 0 H GLY A 864 -12.089 11.455 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.943 13.364 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.813 12.462 3.144 1.00 0.00 H new ATOM 439 N ASN A 865 -10.070 11.087 2.133 1.00 0.00 N ATOM 440 CA ASN A 865 -8.774 10.553 2.536 1.00 0.00 C ATOM 441 C ASN A 865 -7.701 11.463 2.008 1.00 0.00 C ATOM 442 O ASN A 865 -7.925 12.173 1.012 1.00 0.00 O ATOM 443 CB ASN A 865 -8.533 9.151 1.936 1.00 0.00 C ATOM 444 CG ASN A 865 -9.586 8.129 2.293 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.484 7.440 3.308 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.601 8.023 1.474 1.00 0.00 N ATOM 0 H ASN A 865 -10.369 10.794 1.203 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.754 10.485 3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.482 9.238 0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.562 8.787 2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.344 7.351 1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.649 8.612 0.643 1.00 0.00 H new ATOM 453 N GLN A 866 -6.556 11.470 2.649 1.00 0.00 N ATOM 454 CA GLN A 866 -5.443 12.245 2.164 1.00 0.00 C ATOM 455 C GLN A 866 -4.797 11.566 0.983 1.00 0.00 C ATOM 456 O GLN A 866 -4.272 10.450 1.088 1.00 0.00 O ATOM 457 CB GLN A 866 -4.395 12.516 3.240 1.00 0.00 C ATOM 458 CG GLN A 866 -4.819 13.496 4.298 1.00 0.00 C ATOM 459 CD GLN A 866 -3.685 13.834 5.249 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.488 13.180 6.267 1.00 0.00 O ATOM 461 NE2 GLN A 866 -2.948 14.870 4.946 1.00 0.00 N ATOM 0 H GLN A 866 -6.373 10.948 3.506 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.850 13.208 1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.136 11.573 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.490 12.889 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.178 14.409 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.654 13.081 4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.134 15.396 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.187 15.152 5.563 1.00 0.00 H new ATOM 470 N ILE A 867 -4.857 12.213 -0.121 1.00 0.00 N ATOM 471 CA ILE A 867 -4.257 11.742 -1.317 1.00 0.00 C ATOM 472 C ILE A 867 -3.025 12.555 -1.566 1.00 0.00 C ATOM 473 O ILE A 867 -3.106 13.743 -1.882 1.00 0.00 O ATOM 474 CB ILE A 867 -5.198 11.871 -2.538 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.489 11.076 -2.333 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.496 11.437 -3.817 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.288 9.587 -2.116 1.00 0.00 C ATOM 0 H ILE A 867 -5.336 13.108 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.027 10.684 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.465 12.923 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.020 11.486 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.130 11.220 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.180 11.538 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.621 12.065 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.184 10.397 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.256 9.105 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -5.788 9.157 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -5.676 9.428 -1.228 1.00 0.00 H new ATOM 489 N TRP A 868 -1.905 11.952 -1.368 1.00 0.00 N ATOM 490 CA TRP A 868 -0.662 12.602 -1.635 1.00 0.00 C ATOM 491 C TRP A 868 -0.411 12.657 -3.118 1.00 0.00 C ATOM 492 O TRP A 868 -0.804 11.753 -3.865 1.00 0.00 O ATOM 493 CB TRP A 868 0.498 11.938 -0.898 1.00 0.00 C ATOM 494 CG TRP A 868 0.590 12.317 0.554 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.379 13.296 1.074 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.118 11.744 1.670 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.226 13.354 2.439 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.316 12.423 2.828 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.067 10.730 1.808 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.163 12.120 4.095 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.539 10.432 3.072 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.085 11.125 4.198 1.00 0.00 C ATOM 0 H TRP A 868 -1.821 10.998 -1.018 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.729 13.622 -1.258 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.394 10.856 -0.976 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.432 12.205 -1.393 1.00 0.00 H new ATOM 0 HD1 TRP A 868 2.031 13.935 0.498 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.718 13.995 3.062 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.425 10.189 0.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.184 12.655 4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.273 9.649 3.192 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.475 10.865 5.171 1.00 0.00 H new ATOM 513 N ILE A 869 0.169 13.722 -3.536 1.00 0.00 N ATOM 514 CA ILE A 869 0.500 13.934 -4.911 1.00 0.00 C ATOM 515 C ILE A 869 1.996 13.721 -5.044 1.00 0.00 C ATOM 516 O ILE A 869 2.748 14.226 -4.225 1.00 0.00 O ATOM 517 CB ILE A 869 0.158 15.397 -5.354 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.296 15.797 -5.002 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.429 15.609 -6.844 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.368 14.960 -5.657 1.00 0.00 C ATOM 0 H ILE A 869 0.436 14.493 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.070 13.249 -5.539 1.00 0.00 H new ATOM 0 HB ILE A 869 0.821 16.052 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.421 15.738 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.448 16.839 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.181 16.635 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.483 15.423 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.183 14.920 -7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.350 15.319 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.278 15.037 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.251 13.919 -5.356 1.00 0.00 H new ATOM 532 N CYS A 870 2.411 12.946 -6.025 1.00 0.00 N ATOM 533 CA CYS A 870 3.810 12.735 -6.291 1.00 0.00 C ATOM 534 C CYS A 870 4.354 14.014 -6.916 1.00 0.00 C ATOM 535 O CYS A 870 3.939 14.384 -8.021 1.00 0.00 O ATOM 536 CB CYS A 870 3.968 11.545 -7.270 1.00 0.00 C ATOM 537 SG CYS A 870 5.673 11.055 -7.746 1.00 0.00 S ATOM 0 H CYS A 870 1.785 12.447 -6.657 1.00 0.00 H new ATOM 0 HA CYS A 870 4.357 12.503 -5.377 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.481 10.677 -6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.421 11.785 -8.182 1.00 0.00 H new ATOM 0 HG CYS A 870 5.622 10.208 -8.731 1.00 0.00 H new ATOM 542 N PRO A 871 5.267 14.727 -6.234 1.00 0.00 N ATOM 543 CA PRO A 871 5.836 15.970 -6.741 1.00 0.00 C ATOM 544 C PRO A 871 6.871 15.727 -7.845 1.00 0.00 C ATOM 545 O PRO A 871 7.611 16.638 -8.224 1.00 0.00 O ATOM 546 CB PRO A 871 6.510 16.603 -5.505 1.00 0.00 C ATOM 547 CG PRO A 871 6.106 15.755 -4.345 1.00 0.00 C ATOM 548 CD PRO A 871 5.794 14.404 -4.903 1.00 0.00 C ATOM 0 HA PRO A 871 5.074 16.605 -7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.594 16.622 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.186 17.634 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.907 15.696 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.238 16.177 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.681 13.773 -4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 871 5.063 13.872 -4.295 1.00 0.00 H new ATOM 556 N GLY A 872 6.941 14.501 -8.321 1.00 0.00 N ATOM 557 CA GLY A 872 7.828 14.174 -9.395 1.00 0.00 C ATOM 558 C GLY A 872 7.141 14.317 -10.733 1.00 0.00 C ATOM 559 O GLY A 872 7.647 14.993 -11.641 1.00 0.00 O ATOM 0 H GLY A 872 6.388 13.718 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.701 14.825 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 872 8.187 13.152 -9.275 1.00 0.00 H new ATOM 563 N CYS A 873 5.984 13.710 -10.856 1.00 0.00 N ATOM 564 CA CYS A 873 5.230 13.745 -12.081 1.00 0.00 C ATOM 565 C CYS A 873 4.052 14.711 -11.977 1.00 0.00 C ATOM 566 O CYS A 873 3.569 15.221 -12.995 1.00 0.00 O ATOM 567 CB CYS A 873 4.729 12.334 -12.363 1.00 0.00 C ATOM 568 SG CYS A 873 3.901 11.567 -10.940 1.00 0.00 S ATOM 0 H CYS A 873 5.541 13.178 -10.107 1.00 0.00 H new ATOM 0 HA CYS A 873 5.867 14.096 -12.893 1.00 0.00 H new ATOM 0 HB2 CYS A 873 4.037 12.363 -13.205 1.00 0.00 H new ATOM 0 HB3 CYS A 873 5.571 11.710 -12.664 1.00 0.00 H new ATOM 0 HG CYS A 873 4.737 11.478 -9.948 1.00 0.00 H new ATOM 573 N ASN A 874 3.637 14.969 -10.742 1.00 0.00 N ATOM 574 CA ASN A 874 2.448 15.754 -10.404 1.00 0.00 C ATOM 575 C ASN A 874 1.204 14.929 -10.727 1.00 0.00 C ATOM 576 O ASN A 874 0.442 15.206 -11.660 1.00 0.00 O ATOM 577 CB ASN A 874 2.428 17.178 -11.040 1.00 0.00 C ATOM 578 CG ASN A 874 1.245 18.043 -10.600 1.00 0.00 C ATOM 579 OD1 ASN A 874 1.311 18.753 -9.595 1.00 0.00 O ATOM 580 ND2 ASN A 874 0.184 18.019 -11.358 1.00 0.00 N ATOM 0 H ASN A 874 4.133 14.628 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 874 2.467 15.960 -9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 874 3.355 17.692 -10.784 1.00 0.00 H new ATOM 0 HB3 ASN A 874 2.408 17.079 -12.125 1.00 0.00 H new ATOM 0 HD21 ASN A 874 -0.622 18.599 -11.125 1.00 0.00 H new ATOM 0 HD22 ASN A 874 0.160 17.420 -12.184 1.00 0.00 H new ATOM 587 N LYS A 875 1.092 13.835 -10.013 1.00 0.00 N ATOM 588 CA LYS A 875 -0.002 12.896 -10.126 1.00 0.00 C ATOM 589 C LYS A 875 -0.354 12.418 -8.733 1.00 0.00 C ATOM 590 O LYS A 875 0.540 12.236 -7.908 1.00 0.00 O ATOM 591 CB LYS A 875 0.400 11.681 -10.980 1.00 0.00 C ATOM 592 CG LYS A 875 0.613 11.946 -12.458 1.00 0.00 C ATOM 593 CD LYS A 875 1.084 10.681 -13.159 1.00 0.00 C ATOM 594 CE LYS A 875 1.253 10.884 -14.652 1.00 0.00 C ATOM 595 NZ LYS A 875 -0.030 11.183 -15.329 1.00 0.00 N ATOM 0 H LYS A 875 1.782 13.563 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 875 -0.849 13.388 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 875 1.319 11.263 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.371 10.918 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.316 12.296 -12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.350 12.739 -12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 875 2.032 10.360 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 875 0.366 9.880 -12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 875 1.953 11.701 -14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.692 9.988 -15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 0.100 11.130 -16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -0.748 10.490 -15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.345 12.139 -15.069 1.00 0.00 H new ATOM 609 N PRO A 876 -1.636 12.220 -8.439 1.00 0.00 N ATOM 610 CA PRO A 876 -2.082 11.762 -7.125 1.00 0.00 C ATOM 611 C PRO A 876 -1.810 10.280 -6.897 1.00 0.00 C ATOM 612 O PRO A 876 -1.526 9.528 -7.834 1.00 0.00 O ATOM 613 CB PRO A 876 -3.584 12.020 -7.163 1.00 0.00 C ATOM 614 CG PRO A 876 -3.938 11.876 -8.585 1.00 0.00 C ATOM 615 CD PRO A 876 -2.775 12.431 -9.354 1.00 0.00 C ATOM 0 HA PRO A 876 -1.559 12.273 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.127 11.306 -6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.827 13.015 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.113 10.831 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -4.855 12.418 -8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.633 11.910 -10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -2.914 13.486 -9.588 1.00 0.00 H new ATOM 623 N ASP A 877 -1.865 9.876 -5.666 1.00 0.00 N ATOM 624 CA ASP A 877 -1.692 8.484 -5.304 1.00 0.00 C ATOM 625 C ASP A 877 -2.977 7.739 -5.586 1.00 0.00 C ATOM 626 O ASP A 877 -4.063 8.149 -5.154 1.00 0.00 O ATOM 627 CB ASP A 877 -1.285 8.334 -3.829 1.00 0.00 C ATOM 628 CG ASP A 877 -1.042 6.885 -3.405 1.00 0.00 C ATOM 629 OD1 ASP A 877 -0.916 5.986 -4.289 1.00 0.00 O ATOM 630 OD2 ASP A 877 -0.977 6.631 -2.188 1.00 0.00 O ATOM 0 H ASP A 877 -2.031 10.496 -4.874 1.00 0.00 H new ATOM 0 HA ASP A 877 -0.886 8.060 -5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.379 8.913 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.066 8.762 -3.200 1.00 0.00 H new ATOM 635 N ASP A 878 -2.853 6.670 -6.317 1.00 0.00 N ATOM 636 CA ASP A 878 -4.005 5.862 -6.731 1.00 0.00 C ATOM 637 C ASP A 878 -4.232 4.754 -5.736 1.00 0.00 C ATOM 638 O ASP A 878 -5.253 4.042 -5.782 1.00 0.00 O ATOM 639 CB ASP A 878 -3.777 5.214 -8.114 1.00 0.00 C ATOM 640 CG ASP A 878 -3.569 6.194 -9.245 1.00 0.00 C ATOM 641 OD1 ASP A 878 -4.532 6.876 -9.648 1.00 0.00 O ATOM 642 OD2 ASP A 878 -2.443 6.256 -9.798 1.00 0.00 O ATOM 0 H ASP A 878 -1.957 6.318 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.867 6.528 -6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.907 4.559 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.635 4.584 -8.351 1.00 0.00 H new ATOM 647 N GLY A 879 -3.307 4.635 -4.827 1.00 0.00 N ATOM 648 CA GLY A 879 -3.273 3.542 -3.914 1.00 0.00 C ATOM 649 C GLY A 879 -2.124 2.672 -4.308 1.00 0.00 C ATOM 650 O GLY A 879 -2.211 1.443 -4.331 1.00 0.00 O ATOM 0 H GLY A 879 -2.549 5.305 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.152 3.899 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -4.208 2.983 -3.948 1.00 0.00 H new ATOM 654 N SER A 880 -1.050 3.324 -4.625 1.00 0.00 N ATOM 655 CA SER A 880 0.110 2.702 -5.171 1.00 0.00 C ATOM 656 C SER A 880 1.252 2.688 -4.145 1.00 0.00 C ATOM 657 O SER A 880 1.114 3.285 -3.065 1.00 0.00 O ATOM 658 CB SER A 880 0.481 3.445 -6.471 1.00 0.00 C ATOM 659 OG SER A 880 0.529 4.870 -6.301 1.00 0.00 O ATOM 0 H SER A 880 -0.956 4.333 -4.507 1.00 0.00 H new ATOM 0 HA SER A 880 -0.086 1.657 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.451 3.092 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 880 -0.246 3.200 -7.245 1.00 0.00 H new ATOM 0 HG SER A 880 0.097 5.113 -5.456 1.00 0.00 H new ATOM 665 N PRO A 881 2.363 1.957 -4.409 1.00 0.00 N ATOM 666 CA PRO A 881 3.489 1.958 -3.514 1.00 0.00 C ATOM 667 C PRO A 881 4.219 3.283 -3.613 1.00 0.00 C ATOM 668 O PRO A 881 4.683 3.686 -4.695 1.00 0.00 O ATOM 669 CB PRO A 881 4.371 0.798 -3.996 1.00 0.00 C ATOM 670 CG PRO A 881 3.591 0.094 -5.051 1.00 0.00 C ATOM 671 CD PRO A 881 2.609 1.091 -5.579 1.00 0.00 C ATOM 0 HA PRO A 881 3.204 1.835 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.317 1.167 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.611 0.124 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.246 -0.265 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.079 -0.777 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.015 1.653 -6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.694 0.612 -5.928 1.00 0.00 H new ATOM 679 N MET A 882 4.271 3.971 -2.516 1.00 0.00 N ATOM 680 CA MET A 882 4.875 5.279 -2.461 1.00 0.00 C ATOM 681 C MET A 882 5.998 5.261 -1.482 1.00 0.00 C ATOM 682 O MET A 882 6.025 4.416 -0.571 1.00 0.00 O ATOM 683 CB MET A 882 3.836 6.300 -2.016 1.00 0.00 C ATOM 684 CG MET A 882 2.652 6.366 -2.939 1.00 0.00 C ATOM 685 SD MET A 882 2.923 7.369 -4.373 1.00 0.00 S ATOM 686 CE MET A 882 2.743 9.002 -3.687 1.00 0.00 C ATOM 0 H MET A 882 3.896 3.646 -1.625 1.00 0.00 H new ATOM 0 HA MET A 882 5.251 5.549 -3.448 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.494 6.050 -1.012 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.301 7.284 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.393 5.356 -3.257 1.00 0.00 H new ATOM 0 HG3 MET A 882 1.795 6.757 -2.390 1.00 0.00 H new ATOM 0 HE1 MET A 882 1.903 9.506 -4.164 1.00 0.00 H new ATOM 0 HE2 MET A 882 2.561 8.928 -2.615 1.00 0.00 H new ATOM 0 HE3 MET A 882 3.655 9.573 -3.862 1.00 0.00 H new ATOM 696 N ILE A 883 6.910 6.162 -1.654 1.00 0.00 N ATOM 697 CA ILE A 883 8.032 6.292 -0.755 1.00 0.00 C ATOM 698 C ILE A 883 8.113 7.724 -0.246 1.00 0.00 C ATOM 699 O ILE A 883 7.923 8.683 -1.009 1.00 0.00 O ATOM 700 CB ILE A 883 9.378 5.845 -1.413 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.525 5.933 -0.416 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.702 6.701 -2.634 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.765 5.227 -0.887 1.00 0.00 C ATOM 0 H ILE A 883 6.906 6.835 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 883 7.869 5.620 0.088 1.00 0.00 H new ATOM 0 HB ILE A 883 9.258 4.809 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.758 6.981 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.207 5.504 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.643 6.369 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 883 8.904 6.602 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.791 7.745 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.547 5.325 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.544 4.172 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.104 5.672 -1.822 1.00 0.00 H new ATOM 715 N GLY A 884 8.276 7.856 1.040 1.00 0.00 N ATOM 716 CA GLY A 884 8.431 9.147 1.632 1.00 0.00 C ATOM 717 C GLY A 884 9.884 9.480 1.803 1.00 0.00 C ATOM 718 O GLY A 884 10.653 8.649 2.328 1.00 0.00 O ATOM 0 H GLY A 884 8.305 7.078 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.951 9.900 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.931 9.171 2.600 1.00 0.00 H new ATOM 722 N CYS A 885 10.273 10.652 1.339 1.00 0.00 N ATOM 723 CA CYS A 885 11.634 11.129 1.449 1.00 0.00 C ATOM 724 C CYS A 885 11.999 11.337 2.908 1.00 0.00 C ATOM 725 O CYS A 885 11.162 11.780 3.715 1.00 0.00 O ATOM 726 CB CYS A 885 11.775 12.434 0.656 1.00 0.00 C ATOM 727 SG CYS A 885 13.416 13.260 0.742 1.00 0.00 S ATOM 0 H CYS A 885 9.645 11.305 0.871 1.00 0.00 H new ATOM 0 HA CYS A 885 12.319 10.389 1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.550 12.226 -0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 885 11.019 13.135 1.011 1.00 0.00 H new ATOM 0 HG CYS A 885 13.363 14.398 0.115 1.00 0.00 H new ATOM 732 N ASP A 886 13.232 11.020 3.260 1.00 0.00 N ATOM 733 CA ASP A 886 13.652 11.153 4.633 1.00 0.00 C ATOM 734 C ASP A 886 14.135 12.552 4.973 1.00 0.00 C ATOM 735 O ASP A 886 14.431 12.834 6.130 1.00 0.00 O ATOM 736 CB ASP A 886 14.694 10.109 5.014 1.00 0.00 C ATOM 737 CG ASP A 886 14.185 9.160 6.082 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.507 8.160 5.748 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.456 9.394 7.276 1.00 0.00 O ATOM 0 H ASP A 886 13.947 10.674 2.621 1.00 0.00 H new ATOM 0 HA ASP A 886 12.760 10.973 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 886 14.977 9.540 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.594 10.609 5.373 1.00 0.00 H new ATOM 744 N ASP A 887 14.191 13.443 3.993 1.00 0.00 N ATOM 745 CA ASP A 887 14.629 14.816 4.293 1.00 0.00 C ATOM 746 C ASP A 887 13.431 15.675 4.508 1.00 0.00 C ATOM 747 O ASP A 887 13.313 16.367 5.527 1.00 0.00 O ATOM 748 CB ASP A 887 15.486 15.429 3.182 1.00 0.00 C ATOM 749 CG ASP A 887 16.050 16.792 3.551 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.365 17.829 3.352 1.00 0.00 O ATOM 751 OD2 ASP A 887 17.204 16.859 4.022 1.00 0.00 O ATOM 0 H ASP A 887 13.951 13.261 3.018 1.00 0.00 H new ATOM 0 HA ASP A 887 15.248 14.765 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.308 14.752 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.885 15.523 2.277 1.00 0.00 H new ATOM 756 N CYS A 888 12.537 15.646 3.553 1.00 0.00 N ATOM 757 CA CYS A 888 11.348 16.429 3.656 1.00 0.00 C ATOM 758 C CYS A 888 10.237 15.675 4.369 1.00 0.00 C ATOM 759 O CYS A 888 10.148 15.715 5.613 1.00 0.00 O ATOM 760 CB CYS A 888 10.906 16.980 2.274 1.00 0.00 C ATOM 761 SG CYS A 888 10.676 15.738 0.943 1.00 0.00 S ATOM 0 H CYS A 888 12.615 15.089 2.702 1.00 0.00 H new ATOM 0 HA CYS A 888 11.577 17.295 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.968 17.520 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 888 11.648 17.706 1.941 1.00 0.00 H new ATOM 0 HG CYS A 888 11.745 15.004 0.845 1.00 0.00 H new ATOM 766 N ASP A 889 9.464 14.950 3.576 1.00 0.00 N ATOM 767 CA ASP A 889 8.261 14.189 4.002 1.00 0.00 C ATOM 768 C ASP A 889 7.400 13.875 2.768 1.00 0.00 C ATOM 769 O ASP A 889 6.392 13.170 2.860 1.00 0.00 O ATOM 770 CB ASP A 889 7.410 15.014 5.029 1.00 0.00 C ATOM 771 CG ASP A 889 6.128 14.352 5.523 1.00 0.00 C ATOM 772 OD1 ASP A 889 6.177 13.464 6.401 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.035 14.759 5.082 1.00 0.00 O ATOM 0 H ASP A 889 9.649 14.861 2.577 1.00 0.00 H new ATOM 0 HA ASP A 889 8.585 13.266 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.036 15.236 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.149 15.968 4.570 1.00 0.00 H new ATOM 778 N ASP A 890 7.823 14.350 1.585 1.00 0.00 N ATOM 779 CA ASP A 890 7.003 14.207 0.399 1.00 0.00 C ATOM 780 C ASP A 890 7.007 12.805 -0.090 1.00 0.00 C ATOM 781 O ASP A 890 8.027 12.098 -0.018 1.00 0.00 O ATOM 782 CB ASP A 890 7.369 15.181 -0.744 1.00 0.00 C ATOM 783 CG ASP A 890 6.955 16.615 -0.485 1.00 0.00 C ATOM 784 OD1 ASP A 890 5.813 16.855 -0.054 1.00 0.00 O ATOM 785 OD2 ASP A 890 7.770 17.542 -0.694 1.00 0.00 O ATOM 0 H ASP A 890 8.713 14.826 1.438 1.00 0.00 H new ATOM 0 HA ASP A 890 5.994 14.477 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 890 8.446 15.148 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 890 6.898 14.838 -1.665 1.00 0.00 H new ATOM 790 N TRP A 891 5.876 12.404 -0.569 1.00 0.00 N ATOM 791 CA TRP A 891 5.673 11.068 -1.029 1.00 0.00 C ATOM 792 C TRP A 891 5.687 11.031 -2.535 1.00 0.00 C ATOM 793 O TRP A 891 4.911 11.728 -3.176 1.00 0.00 O ATOM 794 CB TRP A 891 4.338 10.501 -0.526 1.00 0.00 C ATOM 795 CG TRP A 891 4.265 10.252 0.945 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.914 11.131 1.921 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.524 9.018 1.595 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.957 10.514 3.147 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.333 9.217 2.972 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.906 7.767 1.142 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.515 8.198 3.900 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.089 6.761 2.050 1.00 0.00 C ATOM 803 CH2 TRP A 891 4.894 6.977 3.418 1.00 0.00 C ATOM 0 H TRP A 891 5.055 13.003 -0.654 1.00 0.00 H new ATOM 0 HA TRP A 891 6.484 10.456 -0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.542 11.193 -0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 891 4.141 9.564 -1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.641 12.163 1.756 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.743 10.955 4.042 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.057 7.588 0.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.363 8.364 4.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.389 5.783 1.705 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.046 6.161 4.109 1.00 0.00 H new ATOM 814 N TYR A 892 6.542 10.230 -3.087 1.00 0.00 N ATOM 815 CA TYR A 892 6.635 10.083 -4.520 1.00 0.00 C ATOM 816 C TYR A 892 6.245 8.674 -4.878 1.00 0.00 C ATOM 817 O TYR A 892 6.371 7.759 -4.036 1.00 0.00 O ATOM 818 CB TYR A 892 8.070 10.343 -5.007 1.00 0.00 C ATOM 819 CG TYR A 892 8.581 11.772 -4.879 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.713 12.381 -3.644 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.960 12.494 -6.005 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.194 13.659 -3.531 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.461 13.773 -5.899 1.00 0.00 C ATOM 824 CZ TYR A 892 9.574 14.352 -4.656 1.00 0.00 C ATOM 825 OH TYR A 892 10.107 15.613 -4.526 1.00 0.00 O ATOM 0 H TYR A 892 7.201 9.654 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 892 5.972 10.806 -4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.743 9.689 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.133 10.050 -6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.432 11.839 -2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.860 12.044 -6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.275 14.122 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.762 14.316 -6.783 1.00 0.00 H new ATOM 0 HH TYR A 892 10.849 15.590 -3.887 1.00 0.00 H new ATOM 835 N HIS A 893 5.764 8.485 -6.091 1.00 0.00 N ATOM 836 CA HIS A 893 5.424 7.147 -6.561 1.00 0.00 C ATOM 837 C HIS A 893 6.737 6.399 -6.814 1.00 0.00 C ATOM 838 O HIS A 893 7.747 7.017 -7.176 1.00 0.00 O ATOM 839 CB HIS A 893 4.631 7.151 -7.906 1.00 0.00 C ATOM 840 CG HIS A 893 3.259 7.792 -7.935 1.00 0.00 C ATOM 841 ND1 HIS A 893 3.000 8.905 -8.717 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.109 7.398 -7.353 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.697 9.141 -8.580 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.129 8.260 -7.772 1.00 0.00 N ATOM 0 H HIS A 893 5.599 9.230 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 893 4.796 6.681 -5.801 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.247 7.653 -8.652 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.520 6.116 -8.228 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.667 9.433 -9.280 1.00 0.00 H new ATOM 0 HD2 HIS A 893 1.983 6.561 -6.683 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.170 9.949 -9.066 1.00 0.00 H new ATOM 852 N TRP A 894 6.715 5.100 -6.661 1.00 0.00 N ATOM 853 CA TRP A 894 7.890 4.260 -6.895 1.00 0.00 C ATOM 854 C TRP A 894 8.451 4.374 -8.326 1.00 0.00 C ATOM 855 O TRP A 894 9.638 4.694 -8.488 1.00 0.00 O ATOM 856 CB TRP A 894 7.625 2.794 -6.555 1.00 0.00 C ATOM 857 CG TRP A 894 7.706 2.433 -5.109 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.796 3.269 -4.031 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.722 1.110 -4.592 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.856 2.528 -2.871 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.812 1.199 -3.193 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.661 -0.149 -5.185 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.842 0.073 -2.381 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.690 -1.262 -4.385 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.780 -1.148 -2.994 1.00 0.00 C ATOM 0 H TRP A 894 5.886 4.582 -6.370 1.00 0.00 H new ATOM 0 HA TRP A 894 8.651 4.647 -6.217 1.00 0.00 H new ATOM 0 HB2 TRP A 894 6.632 2.531 -6.920 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.339 2.180 -7.103 1.00 0.00 H new ATOM 0 HD1 TRP A 894 7.817 4.348 -4.081 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.922 2.908 -1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.592 -0.247 -6.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.912 0.158 -1.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.643 -2.242 -4.836 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.801 -2.044 -2.391 1.00 0.00 H new ATOM 876 N PRO A 895 7.621 4.149 -9.403 1.00 0.00 N ATOM 877 CA PRO A 895 8.112 4.188 -10.792 1.00 0.00 C ATOM 878 C PRO A 895 8.651 5.561 -11.217 1.00 0.00 C ATOM 879 O PRO A 895 9.428 5.671 -12.168 1.00 0.00 O ATOM 880 CB PRO A 895 6.879 3.818 -11.629 1.00 0.00 C ATOM 881 CG PRO A 895 5.720 4.136 -10.756 1.00 0.00 C ATOM 882 CD PRO A 895 6.172 3.814 -9.370 1.00 0.00 C ATOM 0 HA PRO A 895 8.958 3.513 -10.922 1.00 0.00 H new ATOM 0 HB2 PRO A 895 6.844 4.389 -12.557 1.00 0.00 H new ATOM 0 HB3 PRO A 895 6.889 2.763 -11.904 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.437 5.185 -10.844 1.00 0.00 H new ATOM 0 HG3 PRO A 895 4.846 3.546 -11.032 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.639 4.404 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.006 2.765 -9.125 1.00 0.00 H new ATOM 890 N CYS A 896 8.260 6.571 -10.493 1.00 0.00 N ATOM 891 CA CYS A 896 8.628 7.923 -10.780 1.00 0.00 C ATOM 892 C CYS A 896 10.040 8.239 -10.303 1.00 0.00 C ATOM 893 O CYS A 896 10.760 9.025 -10.924 1.00 0.00 O ATOM 894 CB CYS A 896 7.620 8.814 -10.097 1.00 0.00 C ATOM 895 SG CYS A 896 5.934 8.486 -10.625 1.00 0.00 S ATOM 0 H CYS A 896 7.665 6.473 -9.671 1.00 0.00 H new ATOM 0 HA CYS A 896 8.626 8.087 -11.858 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.692 8.676 -9.018 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.864 9.856 -10.302 1.00 0.00 H new ATOM 0 HG CYS A 896 5.281 9.607 -10.712 1.00 0.00 H new ATOM 900 N VAL A 897 10.431 7.638 -9.213 1.00 0.00 N ATOM 901 CA VAL A 897 11.738 7.904 -8.655 1.00 0.00 C ATOM 902 C VAL A 897 12.744 6.793 -8.930 1.00 0.00 C ATOM 903 O VAL A 897 13.942 6.974 -8.739 1.00 0.00 O ATOM 904 CB VAL A 897 11.671 8.204 -7.146 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.970 9.529 -6.907 1.00 0.00 C ATOM 906 CG2 VAL A 897 10.943 7.095 -6.408 1.00 0.00 C ATOM 0 H VAL A 897 9.870 6.963 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 897 12.095 8.797 -9.169 1.00 0.00 H new ATOM 0 HB VAL A 897 12.690 8.264 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.928 9.731 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.520 10.327 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.957 9.482 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 897 10.908 7.328 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 897 9.927 7.007 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.470 6.153 -6.556 1.00 0.00 H new ATOM 916 N GLY A 898 12.263 5.654 -9.377 1.00 0.00 N ATOM 917 CA GLY A 898 13.157 4.555 -9.683 1.00 0.00 C ATOM 918 C GLY A 898 13.208 3.535 -8.568 1.00 0.00 C ATOM 919 O GLY A 898 14.163 2.748 -8.457 1.00 0.00 O ATOM 0 H GLY A 898 11.273 5.464 -9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 898 12.832 4.069 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.159 4.943 -9.864 1.00 0.00 H new ATOM 923 N ILE A 899 12.193 3.534 -7.737 1.00 0.00 N ATOM 924 CA ILE A 899 12.124 2.585 -6.660 1.00 0.00 C ATOM 925 C ILE A 899 11.376 1.348 -7.152 1.00 0.00 C ATOM 926 O ILE A 899 10.214 1.421 -7.547 1.00 0.00 O ATOM 927 CB ILE A 899 11.461 3.188 -5.380 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.323 4.321 -4.788 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.215 2.119 -4.323 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.655 3.885 -4.222 1.00 0.00 C ATOM 0 H ILE A 899 11.406 4.181 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 899 13.136 2.309 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 899 10.499 3.601 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.502 5.064 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.755 4.815 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.753 2.573 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.552 1.354 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.164 1.664 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.186 4.753 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.491 3.167 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.250 3.420 -5.008 1.00 0.00 H new ATOM 942 N MET A 900 12.073 0.242 -7.203 1.00 0.00 N ATOM 943 CA MET A 900 11.493 -1.008 -7.690 1.00 0.00 C ATOM 944 C MET A 900 11.039 -1.872 -6.538 1.00 0.00 C ATOM 945 O MET A 900 10.057 -2.603 -6.637 1.00 0.00 O ATOM 946 CB MET A 900 12.497 -1.764 -8.557 1.00 0.00 C ATOM 947 CG MET A 900 12.948 -1.000 -9.794 1.00 0.00 C ATOM 948 SD MET A 900 14.135 -1.918 -10.803 1.00 0.00 S ATOM 949 CE MET A 900 15.491 -2.115 -9.644 1.00 0.00 C ATOM 0 H MET A 900 13.049 0.170 -6.914 1.00 0.00 H new ATOM 0 HA MET A 900 10.623 -0.763 -8.300 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.372 -2.007 -7.954 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.053 -2.709 -8.869 1.00 0.00 H new ATOM 0 HG2 MET A 900 12.076 -0.757 -10.401 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.396 -0.055 -9.487 1.00 0.00 H new ATOM 0 HE1 MET A 900 16.409 -2.331 -10.191 1.00 0.00 H new ATOM 0 HE2 MET A 900 15.617 -1.196 -9.072 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.272 -2.938 -8.964 1.00 0.00 H new ATOM 959 N ALA A 901 11.745 -1.777 -5.456 1.00 0.00 N ATOM 960 CA ALA A 901 11.437 -2.504 -4.263 1.00 0.00 C ATOM 961 C ALA A 901 11.655 -1.568 -3.126 1.00 0.00 C ATOM 962 O ALA A 901 12.423 -0.607 -3.282 1.00 0.00 O ATOM 963 CB ALA A 901 12.337 -3.722 -4.128 1.00 0.00 C ATOM 0 H ALA A 901 12.568 -1.180 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 901 10.409 -2.866 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.086 -4.260 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.193 -4.378 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.378 -3.402 -4.086 1.00 0.00 H new ATOM 969 N ALA A 902 10.989 -1.805 -2.020 1.00 0.00 N ATOM 970 CA ALA A 902 11.113 -0.956 -0.861 1.00 0.00 C ATOM 971 C ALA A 902 12.547 -0.981 -0.349 1.00 0.00 C ATOM 972 O ALA A 902 13.124 -2.064 -0.179 1.00 0.00 O ATOM 973 CB ALA A 902 10.143 -1.399 0.224 1.00 0.00 C ATOM 0 H ALA A 902 10.348 -2.589 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 902 10.864 0.067 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.248 -0.749 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.122 -1.338 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.363 -2.427 0.511 1.00 0.00 H new ATOM 979 N PRO A 903 13.166 0.205 -0.157 1.00 0.00 N ATOM 980 CA PRO A 903 14.547 0.322 0.329 1.00 0.00 C ATOM 981 C PRO A 903 14.740 -0.297 1.721 1.00 0.00 C ATOM 982 O PRO A 903 13.764 -0.636 2.395 1.00 0.00 O ATOM 983 CB PRO A 903 14.779 1.841 0.385 1.00 0.00 C ATOM 984 CG PRO A 903 13.805 2.391 -0.559 1.00 0.00 C ATOM 985 CD PRO A 903 12.589 1.535 -0.416 1.00 0.00 C ATOM 0 HA PRO A 903 15.246 -0.210 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 903 14.622 2.231 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.799 2.098 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 903 13.581 3.433 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.187 2.363 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 903 11.952 1.868 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 903 11.978 1.544 -1.318 1.00 0.00 H new ATOM 993 N PRO A 904 16.008 -0.454 2.155 1.00 0.00 N ATOM 994 CA PRO A 904 16.366 -1.053 3.446 1.00 0.00 C ATOM 995 C PRO A 904 15.620 -0.482 4.658 1.00 0.00 C ATOM 996 O PRO A 904 15.161 0.666 4.657 1.00 0.00 O ATOM 997 CB PRO A 904 17.842 -0.693 3.586 1.00 0.00 C ATOM 998 CG PRO A 904 18.344 -0.645 2.201 1.00 0.00 C ATOM 999 CD PRO A 904 17.221 -0.067 1.396 1.00 0.00 C ATOM 0 HA PRO A 904 16.119 -2.115 3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 904 17.971 0.266 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 904 18.377 -1.436 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 904 19.239 -0.028 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 904 18.613 -1.640 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 904 17.309 1.016 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 904 17.205 -0.470 0.383 1.00 0.00 H new ATOM 1007 N GLU A 905 15.591 -1.274 5.728 1.00 0.00 N ATOM 1008 CA GLU A 905 15.024 -0.862 7.016 1.00 0.00 C ATOM 1009 C GLU A 905 15.957 0.144 7.705 1.00 0.00 C ATOM 1010 O GLU A 905 15.682 0.655 8.783 1.00 0.00 O ATOM 1011 CB GLU A 905 14.765 -2.084 7.901 1.00 0.00 C ATOM 1012 CG GLU A 905 15.987 -2.957 8.157 1.00 0.00 C ATOM 1013 CD GLU A 905 15.640 -4.192 8.941 1.00 0.00 C ATOM 1014 OE1 GLU A 905 15.104 -5.156 8.352 1.00 0.00 O ATOM 1015 OE2 GLU A 905 15.854 -4.216 10.155 1.00 0.00 O ATOM 0 H GLU A 905 15.961 -2.224 5.729 1.00 0.00 H new ATOM 0 HA GLU A 905 14.067 -0.370 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 905 14.371 -1.745 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 905 13.991 -2.694 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 905 16.433 -3.245 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 905 16.737 -2.381 8.700 1.00 0.00 H new ATOM 1022 N GLU A 906 17.060 0.411 7.038 1.00 0.00 N ATOM 1023 CA GLU A 906 18.050 1.397 7.435 1.00 0.00 C ATOM 1024 C GLU A 906 17.587 2.779 6.956 1.00 0.00 C ATOM 1025 O GLU A 906 18.265 3.798 7.157 1.00 0.00 O ATOM 1026 CB GLU A 906 19.380 1.021 6.809 1.00 0.00 C ATOM 1027 CG GLU A 906 19.826 -0.370 7.210 1.00 0.00 C ATOM 1028 CD GLU A 906 21.037 -0.846 6.461 1.00 0.00 C ATOM 1029 OE1 GLU A 906 22.126 -0.254 6.615 1.00 0.00 O ATOM 1030 OE2 GLU A 906 20.922 -1.809 5.681 1.00 0.00 O ATOM 0 H GLU A 906 17.303 -0.069 6.172 1.00 0.00 H new ATOM 0 HA GLU A 906 18.166 1.425 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 906 19.298 1.076 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 906 20.138 1.745 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 906 20.041 -0.381 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 906 19.006 -1.069 7.043 1.00 0.00 H new ATOM 1037 N MET A 907 16.394 2.770 6.346 1.00 0.00 N ATOM 1038 CA MET A 907 15.670 3.856 5.884 1.00 0.00 C ATOM 1039 C MET A 907 16.440 4.781 4.942 1.00 0.00 C ATOM 1040 O MET A 907 17.177 4.328 4.042 1.00 0.00 O ATOM 1041 CB MET A 907 15.135 4.558 7.080 1.00 0.00 C ATOM 1042 CG MET A 907 14.288 3.707 8.020 1.00 0.00 C ATOM 1043 SD MET A 907 12.755 3.114 7.266 1.00 0.00 S ATOM 1044 CE MET A 907 11.872 4.661 7.023 1.00 0.00 C ATOM 0 H MET A 907 15.905 1.893 6.169 1.00 0.00 H new ATOM 0 HA MET A 907 14.859 3.499 5.249 1.00 0.00 H new ATOM 0 HB2 MET A 907 15.973 4.966 7.645 1.00 0.00 H new ATOM 0 HB3 MET A 907 14.535 5.404 6.744 1.00 0.00 H new ATOM 0 HG2 MET A 907 14.876 2.851 8.352 1.00 0.00 H new ATOM 0 HG3 MET A 907 14.045 4.291 8.908 1.00 0.00 H new ATOM 0 HE1 MET A 907 10.815 4.454 6.855 1.00 0.00 H new ATOM 0 HE2 MET A 907 11.983 5.286 7.909 1.00 0.00 H new ATOM 0 HE3 MET A 907 12.282 5.182 6.158 1.00 0.00 H new ATOM 1054 N GLN A 908 16.196 6.060 5.142 1.00 0.00 N ATOM 1055 CA GLN A 908 16.719 7.164 4.409 1.00 0.00 C ATOM 1056 C GLN A 908 16.043 7.351 3.095 1.00 0.00 C ATOM 1057 O GLN A 908 14.837 7.353 3.039 1.00 0.00 O ATOM 1058 CB GLN A 908 18.226 7.147 4.339 1.00 0.00 C ATOM 1059 CG GLN A 908 18.865 7.211 5.691 1.00 0.00 C ATOM 1060 CD GLN A 908 18.772 8.584 6.284 1.00 0.00 C ATOM 1061 OE1 GLN A 908 19.685 9.399 6.163 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.642 8.893 6.797 1.00 0.00 N ATOM 0 H GLN A 908 15.572 6.365 5.889 1.00 0.00 H new ATOM 0 HA GLN A 908 16.477 8.064 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.552 6.240 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 908 18.568 7.990 3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 908 18.383 6.494 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 908 19.912 6.919 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 908 16.910 8.188 6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 908 17.473 9.845 7.123 1.00 0.00 H new ATOM 1071 N TRP A 909 16.815 7.604 2.109 1.00 0.00 N ATOM 1072 CA TRP A 909 16.384 7.841 0.741 1.00 0.00 C ATOM 1073 C TRP A 909 15.834 9.231 0.632 1.00 0.00 C ATOM 1074 O TRP A 909 15.007 9.675 1.449 1.00 0.00 O ATOM 1075 CB TRP A 909 15.400 6.778 0.197 1.00 0.00 C ATOM 1076 CG TRP A 909 14.966 7.024 -1.220 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.514 6.500 -2.348 1.00 0.00 C ATOM 1078 CD2 TRP A 909 13.890 7.872 -1.654 1.00 0.00 C ATOM 1079 NE1 TRP A 909 14.839 6.961 -3.453 1.00 0.00 N ATOM 1080 CE2 TRP A 909 13.840 7.805 -3.046 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.966 8.678 -0.985 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 12.904 8.508 -3.784 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.041 9.378 -1.717 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.013 9.289 -3.105 1.00 0.00 C ATOM 0 H TRP A 909 17.828 7.660 2.216 1.00 0.00 H new ATOM 0 HA TRP A 909 17.260 7.745 0.100 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.870 5.796 0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.519 6.750 0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.355 5.822 -2.372 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.048 6.714 -4.420 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.980 8.749 0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 12.879 8.441 -4.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.325 10.007 -1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.272 9.849 -3.656 1.00 0.00 H new ATOM 1095 N PHE A 910 16.278 9.910 -0.345 1.00 0.00 N ATOM 1096 CA PHE A 910 15.955 11.266 -0.503 1.00 0.00 C ATOM 1097 C PHE A 910 15.442 11.473 -1.898 1.00 0.00 C ATOM 1098 O PHE A 910 16.008 10.918 -2.857 1.00 0.00 O ATOM 1099 CB PHE A 910 17.205 12.099 -0.201 1.00 0.00 C ATOM 1100 CG PHE A 910 17.705 11.893 1.218 1.00 0.00 C ATOM 1101 CD1 PHE A 910 17.126 12.583 2.240 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.738 10.999 1.522 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.541 12.418 3.545 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.157 10.830 2.826 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.556 11.544 3.837 1.00 0.00 C ATOM 0 H PHE A 910 16.887 9.534 -1.071 1.00 0.00 H new ATOM 0 HA PHE A 910 15.172 11.583 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.994 11.834 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.982 13.155 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.325 13.274 2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.211 10.437 0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 910 17.066 12.978 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.955 10.139 3.052 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.883 11.416 4.858 1.00 0.00 H new ATOM 1115 N CYS A 911 14.357 12.208 -2.017 1.00 0.00 N ATOM 1116 CA CYS A 911 13.744 12.441 -3.298 1.00 0.00 C ATOM 1117 C CYS A 911 14.679 13.240 -4.209 1.00 0.00 C ATOM 1118 O CYS A 911 15.597 13.892 -3.711 1.00 0.00 O ATOM 1119 CB CYS A 911 12.362 13.126 -3.136 1.00 0.00 C ATOM 1120 SG CYS A 911 12.317 14.818 -2.441 1.00 0.00 S ATOM 0 H CYS A 911 13.882 12.655 -1.233 1.00 0.00 H new ATOM 0 HA CYS A 911 13.569 11.478 -3.778 1.00 0.00 H new ATOM 0 HB2 CYS A 911 11.887 13.155 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.746 12.488 -2.502 1.00 0.00 H new ATOM 0 HG CYS A 911 11.697 14.801 -1.298 1.00 0.00 H new ATOM 1125 N PRO A 912 14.478 13.174 -5.555 1.00 0.00 N ATOM 1126 CA PRO A 912 15.286 13.895 -6.551 1.00 0.00 C ATOM 1127 C PRO A 912 15.635 15.332 -6.153 1.00 0.00 C ATOM 1128 O PRO A 912 16.739 15.777 -6.389 1.00 0.00 O ATOM 1129 CB PRO A 912 14.400 13.887 -7.816 1.00 0.00 C ATOM 1130 CG PRO A 912 13.140 13.173 -7.423 1.00 0.00 C ATOM 1131 CD PRO A 912 13.480 12.350 -6.226 1.00 0.00 C ATOM 0 HA PRO A 912 16.256 13.415 -6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 912 14.187 14.902 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 912 14.899 13.377 -8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 912 12.346 13.884 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 912 12.779 12.544 -8.237 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.609 12.171 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 912 13.878 11.374 -6.503 1.00 0.00 H new ATOM 1139 N LYS A 913 14.702 16.031 -5.516 1.00 0.00 N ATOM 1140 CA LYS A 913 14.942 17.405 -5.092 1.00 0.00 C ATOM 1141 C LYS A 913 15.897 17.432 -3.911 1.00 0.00 C ATOM 1142 O LYS A 913 16.934 18.107 -3.932 1.00 0.00 O ATOM 1143 CB LYS A 913 13.646 18.079 -4.670 1.00 0.00 C ATOM 1144 CG LYS A 913 12.576 18.121 -5.725 1.00 0.00 C ATOM 1145 CD LYS A 913 11.363 18.847 -5.199 1.00 0.00 C ATOM 1146 CE LYS A 913 10.239 18.887 -6.212 1.00 0.00 C ATOM 1147 NZ LYS A 913 9.750 17.536 -6.562 1.00 0.00 N ATOM 0 H LYS A 913 13.777 15.671 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 913 15.373 17.939 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.253 17.560 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.870 19.100 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 913 12.952 18.622 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.304 17.107 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 913 11.014 18.357 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.641 19.865 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 913 9.414 19.477 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.584 19.391 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 8.790 17.606 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 10.384 17.109 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 9.731 16.942 -5.709 1.00 0.00 H new ATOM 1161 N CYS A 914 15.563 16.656 -2.905 1.00 0.00 N ATOM 1162 CA CYS A 914 16.312 16.632 -1.691 1.00 0.00 C ATOM 1163 C CYS A 914 17.689 16.025 -1.853 1.00 0.00 C ATOM 1164 O CYS A 914 18.634 16.524 -1.302 1.00 0.00 O ATOM 1165 CB CYS A 914 15.507 15.976 -0.575 1.00 0.00 C ATOM 1166 SG CYS A 914 14.079 16.968 -0.043 1.00 0.00 S ATOM 0 H CYS A 914 14.761 16.026 -2.916 1.00 0.00 H new ATOM 0 HA CYS A 914 16.494 17.668 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.158 15.000 -0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.159 15.802 0.281 1.00 0.00 H new ATOM 0 HG CYS A 914 13.011 16.558 -0.661 1.00 0.00 H new ATOM 1171 N ALA A 915 17.801 15.003 -2.644 1.00 0.00 N ATOM 1172 CA ALA A 915 19.079 14.355 -2.853 1.00 0.00 C ATOM 1173 C ALA A 915 20.001 15.222 -3.709 1.00 0.00 C ATOM 1174 O ALA A 915 21.228 15.166 -3.587 1.00 0.00 O ATOM 1175 CB ALA A 915 18.883 12.991 -3.480 1.00 0.00 C ATOM 0 H ALA A 915 17.025 14.591 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 915 19.557 14.222 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 915 19.853 12.517 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.275 12.372 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.380 13.101 -4.441 1.00 0.00 H new ATOM 1181 N ASN A 916 19.399 16.062 -4.523 1.00 0.00 N ATOM 1182 CA ASN A 916 20.141 16.924 -5.443 1.00 0.00 C ATOM 1183 C ASN A 916 20.751 18.084 -4.671 1.00 0.00 C ATOM 1184 O ASN A 916 21.882 18.492 -4.922 1.00 0.00 O ATOM 1185 CB ASN A 916 19.203 17.472 -6.532 1.00 0.00 C ATOM 1186 CG ASN A 916 19.921 18.163 -7.679 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.031 17.786 -8.055 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.294 19.165 -8.250 1.00 0.00 N ATOM 0 H ASN A 916 18.386 16.173 -4.573 1.00 0.00 H new ATOM 0 HA ASN A 916 20.931 16.340 -5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 916 18.609 16.650 -6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.507 18.176 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 916 19.726 19.658 -9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 916 18.375 19.450 -7.912 1.00 0.00 H new ATOM 1195 N LYS A 917 20.013 18.576 -3.689 1.00 0.00 N ATOM 1196 CA LYS A 917 20.449 19.718 -2.887 1.00 0.00 C ATOM 1197 C LYS A 917 21.543 19.304 -1.886 1.00 0.00 C ATOM 1198 O LYS A 917 22.223 20.153 -1.302 1.00 0.00 O ATOM 1199 CB LYS A 917 19.247 20.347 -2.148 1.00 0.00 C ATOM 1200 CG LYS A 917 18.762 19.522 -0.978 1.00 0.00 C ATOM 1201 CD LYS A 917 17.408 19.950 -0.452 1.00 0.00 C ATOM 1202 CE LYS A 917 17.041 19.102 0.756 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.617 19.213 1.131 1.00 0.00 N ATOM 0 H LYS A 917 19.102 18.202 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 917 20.873 20.464 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 917 19.527 21.338 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 917 18.427 20.481 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.711 18.476 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.492 19.587 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 917 17.430 21.004 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 917 16.653 19.840 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.274 18.059 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.658 19.401 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.501 18.957 2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 15.295 20.191 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.051 18.570 0.541 1.00 0.00 H new ATOM 1217 N ILE A 918 21.711 17.998 -1.706 1.00 0.00 N ATOM 1218 CA ILE A 918 22.682 17.471 -0.759 1.00 0.00 C ATOM 1219 C ILE A 918 24.110 17.640 -1.260 1.00 0.00 C ATOM 1220 O ILE A 918 24.976 18.113 -0.520 1.00 0.00 O ATOM 1221 CB ILE A 918 22.427 15.965 -0.403 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.047 15.790 0.238 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.518 15.419 0.529 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.719 14.363 0.652 1.00 0.00 C ATOM 0 H ILE A 918 21.183 17.283 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 918 22.552 18.059 0.150 1.00 0.00 H new ATOM 0 HB ILE A 918 22.459 15.395 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 918 20.984 16.433 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.288 16.135 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.312 14.373 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.489 15.500 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.529 15.996 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.724 14.333 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.745 13.715 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.452 14.018 1.381 1.00 0.00 H new