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 870 CYS SG : rot -164:sc= 1.44 USER MOD Set 1.2: A 873 CYS SG : rot -64:sc= -1.22 USER MOD Set 1.3: A 893 HIS : no HE2:sc= -0.0785 K(o=-1.8,f=-5.1!) USER MOD Set 1.4: A 896 CYS SG : rot -150:sc= -1.94! USER MOD Set 2.1: A 885 CYS SG : rot 165:sc= -0.865! USER MOD Set 2.2: A 888 CYS SG : rot -50:sc= 0.364 USER MOD Set 2.3: A 892 TYR OH : rot 34:sc= 1.15 USER MOD Set 2.4: A 911 CYS SG : rot -115:sc= 1.77 USER MOD Set 2.5: A 914 CYS SG : rot 90:sc= -0.603 USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= 0.511 K(o=0.51,f=-0.13) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.508 K(o=-0.51,f=-2.8) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 882 MET CE :methyl -138:sc= -0.476 (180deg=-1.47) USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 163:sc= -0.119 (180deg=-0.48) USER MOD Single : A 908 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.1) USER MOD Single : A 913 LYS NZ :NH3+ -141:sc= 1.34 (180deg=0.838) USER MOD Single : A 916 ASN : amide:sc= -0.0064 X(o=-0.0064,f=0) USER MOD Single : A 917 LYS NZ :NH3+ -170:sc= 1.12 (180deg=0.622) USER MOD Single : P 1 ALA N :NH3+ 152:sc= 0.91 (180deg=0.262) USER MOD Single : P 3 THR OG1 : rot 120:sc= -0.403 USER MOD Single : P 5 GLN :FLIP amide:sc= -0.954 F(o=-2.1!,f=-0.95) USER MOD Single : P 6 THR OG1 : rot 160:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 12.240 6.613 3.874 1.00 0.00 N ATOM 2 CA ALA P 1 12.106 5.680 2.769 1.00 0.00 C ATOM 3 C ALA P 1 10.955 4.770 3.049 1.00 0.00 C ATOM 4 O ALA P 1 10.886 3.662 2.522 1.00 0.00 O ATOM 5 CB ALA P 1 13.403 4.882 2.529 1.00 0.00 C ATOM 0 H1 ALA P 1 13.233 6.912 3.958 1.00 0.00 H new ATOM 0 H2 ALA P 1 11.641 7.445 3.700 1.00 0.00 H new ATOM 0 H3 ALA P 1 11.942 6.151 4.757 1.00 0.00 H new ATOM 0 HA ALA P 1 11.918 6.240 1.853 1.00 0.00 H new ATOM 0 HB1 ALA P 1 13.259 4.196 1.694 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.216 5.570 2.297 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.652 4.315 3.426 1.00 0.00 H new ATOM 13 N ARG P 2 10.039 5.261 3.891 1.00 0.00 N ATOM 14 CA ARG P 2 8.844 4.558 4.263 1.00 0.00 C ATOM 15 C ARG P 2 8.089 4.219 3.008 1.00 0.00 C ATOM 16 O ARG P 2 7.903 5.080 2.137 1.00 0.00 O ATOM 17 CB ARG P 2 7.988 5.455 5.141 1.00 0.00 C ATOM 18 CG ARG P 2 6.829 4.760 5.793 1.00 0.00 C ATOM 19 CD ARG P 2 6.040 5.730 6.648 1.00 0.00 C ATOM 20 NE ARG P 2 4.890 5.105 7.285 1.00 0.00 N ATOM 21 CZ ARG P 2 3.935 5.762 7.945 1.00 0.00 C ATOM 22 NH1 ARG P 2 3.986 7.086 8.052 1.00 0.00 N ATOM 23 NH2 ARG P 2 2.926 5.093 8.488 1.00 0.00 N ATOM 0 H ARG P 2 10.125 6.177 4.332 1.00 0.00 H new ATOM 0 HA ARG P 2 9.092 3.649 4.812 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.617 5.891 5.917 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.609 6.279 4.537 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.181 4.328 5.030 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.191 3.936 6.408 1.00 0.00 H new ATOM 0 HD2 ARG P 2 6.693 6.148 7.414 1.00 0.00 H new ATOM 0 HD3 ARG P 2 5.701 6.561 6.030 1.00 0.00 H new ATOM 0 HE ARG P 2 4.808 4.090 7.222 1.00 0.00 H new ATOM 0 HH11 ARG P 2 4.757 7.603 7.629 1.00 0.00 H new ATOM 0 HH12 ARG P 2 3.254 7.585 8.557 1.00 0.00 H new ATOM 0 HH21 ARG P 2 2.881 4.078 8.400 1.00 0.00 H new ATOM 0 HH22 ARG P 2 2.195 5.594 8.993 1.00 0.00 H new ATOM 37 N THR P 3 7.705 3.008 2.892 1.00 0.00 N ATOM 38 CA THR P 3 7.052 2.551 1.736 1.00 0.00 C ATOM 39 C THR P 3 5.676 2.041 2.051 1.00 0.00 C ATOM 40 O THR P 3 5.471 1.312 3.021 1.00 0.00 O ATOM 41 CB THR P 3 7.893 1.485 1.052 1.00 0.00 C ATOM 42 OG1 THR P 3 8.414 0.573 2.050 1.00 0.00 O ATOM 43 CG2 THR P 3 9.038 2.130 0.296 1.00 0.00 C ATOM 0 H THR P 3 7.839 2.296 3.610 1.00 0.00 H new ATOM 0 HA THR P 3 6.933 3.391 1.051 1.00 0.00 H new ATOM 0 HB THR P 3 7.272 0.935 0.344 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.093 -0.334 1.863 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.634 1.358 -0.190 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.640 2.809 -0.458 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.665 2.688 0.992 1.00 0.00 H new ATOM 82 N GLN P 5 1.738 1.023 0.072 1.00 0.00 N ATOM 83 CA GLN P 5 1.044 0.748 -1.138 1.00 0.00 C ATOM 84 C GLN P 5 -0.411 0.683 -0.810 1.00 0.00 C ATOM 85 O GLN P 5 -0.837 -0.199 -0.065 1.00 0.00 O ATOM 86 CB GLN P 5 1.489 -0.563 -1.794 1.00 0.00 C ATOM 87 CG GLN P 5 0.818 -0.785 -3.144 1.00 0.00 C ATOM 88 CD GLN P 5 1.120 -2.113 -3.790 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.281 -2.646 -3.566 1.00 0.00 O flip ATOM 90 NE2 GLN P 5 0.291 -2.653 -4.510 1.00 0.00 N flip ATOM 0 HA GLN P 5 1.263 1.538 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.571 -0.553 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.255 -1.397 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.261 -0.696 -3.017 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.126 0.011 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.614 -2.209 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.505 -3.547 -4.953 1.00 0.00 H new ATOM 99 N THR P 6 -1.151 1.637 -1.291 1.00 0.00 N ATOM 100 CA THR P 6 -2.576 1.677 -1.084 1.00 0.00 C ATOM 101 C THR P 6 -3.239 0.518 -1.840 1.00 0.00 C ATOM 102 O THR P 6 -4.269 -0.021 -1.407 1.00 0.00 O ATOM 103 CB THR P 6 -3.114 3.023 -1.579 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.391 4.080 -0.925 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.610 3.171 -1.325 1.00 0.00 C ATOM 0 H THR P 6 -0.786 2.415 -1.841 1.00 0.00 H new ATOM 0 HA THR P 6 -2.804 1.571 -0.023 1.00 0.00 H new ATOM 0 HB THR P 6 -2.969 3.076 -2.658 1.00 0.00 H new ATOM 0 HG1 THR P 6 -2.479 4.907 -1.444 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.947 4.140 -1.692 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.148 2.379 -1.846 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.806 3.100 -0.255 1.00 0.00 H new ATOM 301 N TYR A 857 1.985 18.160 -1.501 1.00 0.00 N ATOM 302 CA TYR A 857 1.315 17.440 -2.552 1.00 0.00 C ATOM 303 C TYR A 857 0.149 16.604 -2.085 1.00 0.00 C ATOM 304 O TYR A 857 -0.507 15.927 -2.875 1.00 0.00 O ATOM 305 CB TYR A 857 2.286 16.671 -3.398 1.00 0.00 C ATOM 306 CG TYR A 857 3.018 17.550 -4.382 1.00 0.00 C ATOM 307 CD1 TYR A 857 4.168 18.236 -4.028 1.00 0.00 C ATOM 308 CD2 TYR A 857 2.535 17.706 -5.667 1.00 0.00 C ATOM 309 CE1 TYR A 857 4.812 19.057 -4.934 1.00 0.00 C ATOM 310 CE2 TYR A 857 3.167 18.511 -6.576 1.00 0.00 C ATOM 311 CZ TYR A 857 4.307 19.186 -6.207 1.00 0.00 C ATOM 312 OH TYR A 857 4.928 20.003 -7.106 1.00 0.00 O ATOM 0 HA TYR A 857 0.860 18.198 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 857 3.010 16.173 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.752 15.891 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 857 4.567 18.128 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 857 1.638 17.181 -5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 857 5.704 19.593 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 857 2.773 18.615 -7.576 1.00 0.00 H new ATOM 0 HH TYR A 857 4.444 19.980 -7.958 1.00 0.00 H new ATOM 322 N VAL A 858 -0.140 16.698 -0.837 1.00 0.00 N ATOM 323 CA VAL A 858 -1.284 16.031 -0.259 1.00 0.00 C ATOM 324 C VAL A 858 -2.560 16.877 -0.435 1.00 0.00 C ATOM 325 O VAL A 858 -2.533 18.114 -0.295 1.00 0.00 O ATOM 326 CB VAL A 858 -1.051 15.683 1.246 1.00 0.00 C ATOM 327 CG1 VAL A 858 -0.709 16.917 2.063 1.00 0.00 C ATOM 328 CG2 VAL A 858 -2.255 14.961 1.842 1.00 0.00 C ATOM 0 H VAL A 858 0.407 17.242 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.419 15.091 -0.795 1.00 0.00 H new ATOM 0 HB VAL A 858 -0.195 15.009 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -0.554 16.633 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 858 0.201 17.372 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -1.528 17.633 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -2.060 14.733 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -3.136 15.599 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -2.431 14.034 1.296 1.00 0.00 H new ATOM 338 N ILE A 859 -3.631 16.221 -0.819 1.00 0.00 N ATOM 339 CA ILE A 859 -4.950 16.814 -0.944 1.00 0.00 C ATOM 340 C ILE A 859 -5.921 15.883 -0.243 1.00 0.00 C ATOM 341 O ILE A 859 -5.535 14.784 0.161 1.00 0.00 O ATOM 342 CB ILE A 859 -5.419 16.979 -2.436 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.571 15.611 -3.136 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.470 17.883 -3.211 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.144 15.691 -4.540 1.00 0.00 C ATOM 0 H ILE A 859 -3.612 15.230 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 859 -4.918 17.813 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.401 17.453 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.595 15.128 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.214 14.974 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -4.818 17.980 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.442 18.867 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.470 17.450 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.218 14.688 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.135 16.143 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.491 16.299 -5.166 1.00 0.00 H new ATOM 357 N ARG A 860 -7.133 16.295 -0.066 1.00 0.00 N ATOM 358 CA ARG A 860 -8.120 15.411 0.483 1.00 0.00 C ATOM 359 C ARG A 860 -9.100 15.016 -0.592 1.00 0.00 C ATOM 360 O ARG A 860 -9.433 15.830 -1.469 1.00 0.00 O ATOM 361 CB ARG A 860 -8.820 15.986 1.706 1.00 0.00 C ATOM 362 CG ARG A 860 -9.548 17.279 1.483 1.00 0.00 C ATOM 363 CD ARG A 860 -10.249 17.694 2.746 1.00 0.00 C ATOM 364 NE ARG A 860 -9.324 17.826 3.890 1.00 0.00 N ATOM 365 CZ ARG A 860 -9.334 18.813 4.796 1.00 0.00 C ATOM 366 NH1 ARG A 860 -10.137 19.865 4.647 1.00 0.00 N ATOM 367 NH2 ARG A 860 -8.511 18.753 5.841 1.00 0.00 N ATOM 0 H ARG A 860 -7.467 17.232 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 860 -7.606 14.519 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.531 15.248 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.078 16.137 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.846 18.054 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -10.271 17.165 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -10.755 18.645 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -11.019 16.961 2.988 1.00 0.00 H new ATOM 0 HE ARG A 860 -8.615 17.101 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -10.753 19.925 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -10.136 20.610 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -7.879 17.960 5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -8.513 19.500 6.535 1.00 0.00 H new ATOM 381 N ASP A 861 -9.521 13.775 -0.566 1.00 0.00 N ATOM 382 CA ASP A 861 -10.458 13.270 -1.563 1.00 0.00 C ATOM 383 C ASP A 861 -11.877 13.647 -1.146 1.00 0.00 C ATOM 384 O ASP A 861 -12.074 14.359 -0.139 1.00 0.00 O ATOM 385 CB ASP A 861 -10.345 11.734 -1.714 1.00 0.00 C ATOM 386 CG ASP A 861 -11.128 10.964 -0.676 1.00 0.00 C ATOM 387 OD1 ASP A 861 -10.819 11.043 0.506 1.00 0.00 O ATOM 388 OD2 ASP A 861 -12.084 10.286 -1.037 1.00 0.00 O ATOM 0 H ASP A 861 -9.234 13.089 0.132 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.218 13.718 -2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -10.695 11.448 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.295 11.448 -1.651 1.00 0.00 H new ATOM 393 N GLU A 862 -12.855 13.170 -1.887 1.00 0.00 N ATOM 394 CA GLU A 862 -14.244 13.450 -1.603 1.00 0.00 C ATOM 395 C GLU A 862 -14.677 12.907 -0.234 1.00 0.00 C ATOM 396 O GLU A 862 -15.508 13.520 0.440 1.00 0.00 O ATOM 397 CB GLU A 862 -15.153 12.914 -2.704 1.00 0.00 C ATOM 398 CG GLU A 862 -15.147 11.406 -2.885 1.00 0.00 C ATOM 399 CD GLU A 862 -16.081 10.976 -3.985 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.301 10.918 -3.754 1.00 0.00 O ATOM 401 OE2 GLU A 862 -15.623 10.743 -5.119 1.00 0.00 O ATOM 0 H GLU A 862 -12.708 12.577 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.344 14.535 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.174 13.233 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.862 13.376 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.135 11.070 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.438 10.926 -1.951 1.00 0.00 H new ATOM 408 N TRP A 863 -14.103 11.793 0.191 1.00 0.00 N ATOM 409 CA TRP A 863 -14.472 11.219 1.459 1.00 0.00 C ATOM 410 C TRP A 863 -13.766 11.927 2.594 1.00 0.00 C ATOM 411 O TRP A 863 -14.327 12.074 3.687 1.00 0.00 O ATOM 412 CB TRP A 863 -14.222 9.713 1.499 1.00 0.00 C ATOM 413 CG TRP A 863 -14.996 8.964 0.470 1.00 0.00 C ATOM 414 CD1 TRP A 863 -16.302 9.098 0.204 1.00 0.00 C ATOM 415 CD2 TRP A 863 -14.509 7.952 -0.405 1.00 0.00 C ATOM 416 NE1 TRP A 863 -16.677 8.246 -0.809 1.00 0.00 N ATOM 417 CE2 TRP A 863 -15.586 7.526 -1.197 1.00 0.00 C ATOM 418 CE3 TRP A 863 -13.270 7.375 -0.595 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -15.450 6.541 -2.170 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -13.127 6.393 -1.557 1.00 0.00 C ATOM 421 CH2 TRP A 863 -14.213 5.987 -2.334 1.00 0.00 C ATOM 0 H TRP A 863 -13.388 11.278 -0.323 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.545 11.364 1.585 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.158 9.523 1.354 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.482 9.334 2.487 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -16.967 9.779 0.713 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -17.614 8.166 -1.204 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -12.424 7.686 -0.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -16.290 6.227 -2.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -12.162 5.933 -1.710 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -14.072 5.219 -3.080 1.00 0.00 H new ATOM 432 N GLY A 864 -12.562 12.392 2.333 1.00 0.00 N ATOM 433 CA GLY A 864 -11.823 13.123 3.337 1.00 0.00 C ATOM 434 C GLY A 864 -10.575 12.396 3.796 1.00 0.00 C ATOM 435 O GLY A 864 -10.188 12.480 4.964 1.00 0.00 O ATOM 0 H GLY A 864 -12.079 12.278 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.543 14.098 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.469 13.304 4.196 1.00 0.00 H new ATOM 439 N ASN A 865 -9.974 11.665 2.900 1.00 0.00 N ATOM 440 CA ASN A 865 -8.725 10.950 3.160 1.00 0.00 C ATOM 441 C ASN A 865 -7.592 11.788 2.633 1.00 0.00 C ATOM 442 O ASN A 865 -7.820 12.682 1.811 1.00 0.00 O ATOM 443 CB ASN A 865 -8.696 9.603 2.416 1.00 0.00 C ATOM 444 CG ASN A 865 -9.821 8.662 2.785 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.688 7.821 3.682 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.935 8.793 2.113 1.00 0.00 N ATOM 0 H ASN A 865 -10.330 11.538 1.953 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.638 10.769 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.735 9.793 1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.745 9.110 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.731 8.190 2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.008 9.498 1.380 1.00 0.00 H new ATOM 453 N GLN A 866 -6.389 11.521 3.075 1.00 0.00 N ATOM 454 CA GLN A 866 -5.247 12.233 2.565 1.00 0.00 C ATOM 455 C GLN A 866 -4.702 11.539 1.335 1.00 0.00 C ATOM 456 O GLN A 866 -4.233 10.398 1.393 1.00 0.00 O ATOM 457 CB GLN A 866 -4.156 12.399 3.605 1.00 0.00 C ATOM 458 CG GLN A 866 -4.468 13.381 4.705 1.00 0.00 C ATOM 459 CD GLN A 866 -3.305 13.527 5.674 1.00 0.00 C ATOM 460 OE1 GLN A 866 -2.428 14.466 5.419 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -3.206 12.800 6.660 1.00 0.00 N flip ATOM 0 H GLN A 866 -6.176 10.819 3.784 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.586 13.233 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -3.952 11.427 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.242 12.717 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -4.704 14.352 4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.354 13.051 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.904 12.077 6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.425 12.920 7.306 1.00 0.00 H new ATOM 470 N ILE A 867 -4.786 12.211 0.237 1.00 0.00 N ATOM 471 CA ILE A 867 -4.325 11.692 -1.021 1.00 0.00 C ATOM 472 C ILE A 867 -3.074 12.441 -1.414 1.00 0.00 C ATOM 473 O ILE A 867 -3.101 13.656 -1.568 1.00 0.00 O ATOM 474 CB ILE A 867 -5.392 11.871 -2.144 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.737 11.235 -1.750 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.896 11.301 -3.477 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.677 9.748 -1.456 1.00 0.00 C ATOM 0 H ILE A 867 -5.181 13.150 0.180 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.131 10.626 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.551 12.942 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.122 11.750 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.452 11.403 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.662 11.441 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.985 11.819 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.688 10.237 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.671 9.390 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.326 9.216 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -5.991 9.568 -0.628 1.00 0.00 H new ATOM 489 N TRP A 868 -1.994 11.738 -1.539 1.00 0.00 N ATOM 490 CA TRP A 868 -0.758 12.342 -1.938 1.00 0.00 C ATOM 491 C TRP A 868 -0.560 12.261 -3.422 1.00 0.00 C ATOM 492 O TRP A 868 -0.927 11.266 -4.068 1.00 0.00 O ATOM 493 CB TRP A 868 0.435 11.731 -1.216 1.00 0.00 C ATOM 494 CG TRP A 868 0.682 12.300 0.144 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.552 13.293 0.444 1.00 0.00 C ATOM 496 CD2 TRP A 868 0.067 11.922 1.381 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.536 13.553 1.792 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.631 12.728 2.390 1.00 0.00 C ATOM 499 CE3 TRP A 868 -0.897 10.987 1.734 1.00 0.00 C ATOM 500 CZ2 TRP A 868 0.262 12.618 3.723 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.263 10.883 3.059 1.00 0.00 C ATOM 502 CH2 TRP A 868 -0.684 11.694 4.036 1.00 0.00 C ATOM 0 H TRP A 868 -1.941 10.734 -1.369 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.821 13.392 -1.654 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.280 10.656 -1.126 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.327 11.874 -1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 868 2.171 13.808 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 868 2.108 14.250 2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.351 10.354 0.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.709 13.242 4.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.012 10.160 3.346 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.995 11.585 5.065 1.00 0.00 H new ATOM 513 N ILE A 869 -0.074 13.326 -3.952 1.00 0.00 N ATOM 514 CA ILE A 869 0.309 13.429 -5.313 1.00 0.00 C ATOM 515 C ILE A 869 1.807 13.289 -5.379 1.00 0.00 C ATOM 516 O ILE A 869 2.501 13.867 -4.578 1.00 0.00 O ATOM 517 CB ILE A 869 -0.165 14.794 -5.956 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.666 14.796 -6.309 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.642 15.152 -7.178 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.632 14.649 -5.159 1.00 0.00 C ATOM 0 H ILE A 869 0.074 14.187 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.172 12.639 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 869 0.003 15.550 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.893 15.728 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.851 13.986 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.283 16.096 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.692 15.251 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 869 0.535 14.368 -7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.654 14.665 -5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.449 13.703 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.492 15.472 -4.458 1.00 0.00 H new ATOM 532 N CYS A 870 2.277 12.486 -6.296 1.00 0.00 N ATOM 533 CA CYS A 870 3.675 12.296 -6.483 1.00 0.00 C ATOM 534 C CYS A 870 4.250 13.557 -7.098 1.00 0.00 C ATOM 535 O CYS A 870 3.890 13.914 -8.224 1.00 0.00 O ATOM 536 CB CYS A 870 3.895 11.098 -7.418 1.00 0.00 C ATOM 537 SG CYS A 870 5.615 10.696 -7.857 1.00 0.00 S ATOM 0 H CYS A 870 1.691 11.946 -6.933 1.00 0.00 H new ATOM 0 HA CYS A 870 4.170 12.097 -5.532 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.450 10.219 -6.952 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.344 11.283 -8.340 1.00 0.00 H new ATOM 0 HG CYS A 870 5.626 9.909 -8.892 1.00 0.00 H new ATOM 542 N PRO A 871 5.147 14.255 -6.394 1.00 0.00 N ATOM 543 CA PRO A 871 5.782 15.471 -6.905 1.00 0.00 C ATOM 544 C PRO A 871 6.726 15.193 -8.092 1.00 0.00 C ATOM 545 O PRO A 871 7.400 16.101 -8.590 1.00 0.00 O ATOM 546 CB PRO A 871 6.587 15.999 -5.704 1.00 0.00 C ATOM 547 CG PRO A 871 6.040 15.282 -4.515 1.00 0.00 C ATOM 548 CD PRO A 871 5.582 13.951 -5.016 1.00 0.00 C ATOM 0 HA PRO A 871 5.042 16.176 -7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.652 15.801 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.474 17.078 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.801 15.168 -3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.214 15.837 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.385 13.214 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.767 13.550 -4.413 1.00 0.00 H new ATOM 556 N GLY A 872 6.796 13.942 -8.516 1.00 0.00 N ATOM 557 CA GLY A 872 7.609 13.582 -9.634 1.00 0.00 C ATOM 558 C GLY A 872 6.863 13.697 -10.947 1.00 0.00 C ATOM 559 O GLY A 872 7.446 14.100 -11.964 1.00 0.00 O ATOM 0 H GLY A 872 6.291 13.164 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.490 14.223 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.964 12.559 -9.508 1.00 0.00 H new ATOM 563 N CYS A 873 5.585 13.360 -10.938 1.00 0.00 N ATOM 564 CA CYS A 873 4.771 13.382 -12.147 1.00 0.00 C ATOM 565 C CYS A 873 3.574 14.335 -12.012 1.00 0.00 C ATOM 566 O CYS A 873 3.001 14.792 -13.020 1.00 0.00 O ATOM 567 CB CYS A 873 4.281 11.963 -12.386 1.00 0.00 C ATOM 568 SG CYS A 873 3.548 11.215 -10.907 1.00 0.00 S ATOM 0 H CYS A 873 5.083 13.065 -10.101 1.00 0.00 H new ATOM 0 HA CYS A 873 5.369 13.743 -12.984 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.543 11.968 -13.188 1.00 0.00 H new ATOM 0 HB3 CYS A 873 5.115 11.348 -12.724 1.00 0.00 H new ATOM 0 HG CYS A 873 4.458 11.091 -9.987 1.00 0.00 H new ATOM 573 N ASN A 874 3.225 14.620 -10.762 1.00 0.00 N ATOM 574 CA ASN A 874 2.068 15.437 -10.348 1.00 0.00 C ATOM 575 C ASN A 874 0.776 14.615 -10.497 1.00 0.00 C ATOM 576 O ASN A 874 -0.332 15.145 -10.624 1.00 0.00 O ATOM 577 CB ASN A 874 1.977 16.809 -11.071 1.00 0.00 C ATOM 578 CG ASN A 874 1.011 17.785 -10.380 1.00 0.00 C ATOM 579 OD1 ASN A 874 0.848 17.766 -9.157 1.00 0.00 O ATOM 580 ND2 ASN A 874 0.376 18.638 -11.141 1.00 0.00 N ATOM 0 H ASN A 874 3.760 14.276 -9.965 1.00 0.00 H new ATOM 0 HA ASN A 874 2.210 15.692 -9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.969 17.258 -11.115 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.653 16.651 -12.100 1.00 0.00 H new ATOM 0 HD21 ASN A 874 -0.272 19.308 -10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 874 0.528 18.633 -12.150 1.00 0.00 H new ATOM 587 N LYS A 875 0.929 13.305 -10.451 1.00 0.00 N ATOM 588 CA LYS A 875 -0.198 12.404 -10.457 1.00 0.00 C ATOM 589 C LYS A 875 -0.460 11.921 -9.035 1.00 0.00 C ATOM 590 O LYS A 875 0.489 11.636 -8.289 1.00 0.00 O ATOM 591 CB LYS A 875 0.061 11.186 -11.345 1.00 0.00 C ATOM 592 CG LYS A 875 0.224 11.481 -12.827 1.00 0.00 C ATOM 593 CD LYS A 875 0.572 10.209 -13.603 1.00 0.00 C ATOM 594 CE LYS A 875 -0.532 9.153 -13.502 1.00 0.00 C ATOM 595 NZ LYS A 875 -0.157 7.883 -14.163 1.00 0.00 N ATOM 0 H LYS A 875 1.836 12.841 -10.409 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.059 12.944 -10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.962 10.685 -10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.764 10.485 -11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.698 11.910 -13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.008 12.225 -12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 875 0.740 10.458 -14.651 1.00 0.00 H new ATOM 0 HD3 LYS A 875 1.505 9.795 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.754 8.962 -12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.445 9.540 -13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.935 7.199 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.029 8.058 -15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 0.699 7.498 -13.715 1.00 0.00 H new ATOM 609 N PRO A 876 -1.734 11.846 -8.625 1.00 0.00 N ATOM 610 CA PRO A 876 -2.110 11.325 -7.313 1.00 0.00 C ATOM 611 C PRO A 876 -1.862 9.831 -7.195 1.00 0.00 C ATOM 612 O PRO A 876 -1.467 9.166 -8.168 1.00 0.00 O ATOM 613 CB PRO A 876 -3.605 11.622 -7.199 1.00 0.00 C ATOM 614 CG PRO A 876 -4.078 11.818 -8.588 1.00 0.00 C ATOM 615 CD PRO A 876 -2.898 12.292 -9.398 1.00 0.00 C ATOM 0 HA PRO A 876 -1.518 11.784 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.133 10.799 -6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.783 12.512 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.475 10.888 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -4.885 12.550 -8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.902 11.860 -10.399 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -2.906 13.375 -9.518 1.00 0.00 H new ATOM 623 N ASP A 877 -2.071 9.308 -6.016 1.00 0.00 N ATOM 624 CA ASP A 877 -1.891 7.900 -5.779 1.00 0.00 C ATOM 625 C ASP A 877 -3.000 7.082 -6.411 1.00 0.00 C ATOM 626 O ASP A 877 -4.187 7.234 -6.102 1.00 0.00 O ATOM 627 CB ASP A 877 -1.716 7.576 -4.294 1.00 0.00 C ATOM 628 CG ASP A 877 -1.626 6.085 -4.029 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.065 5.337 -4.878 1.00 0.00 O ATOM 630 OD2 ASP A 877 -2.118 5.645 -2.972 1.00 0.00 O ATOM 0 H ASP A 877 -2.368 9.841 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 877 -0.959 7.615 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.813 8.062 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.554 7.991 -3.734 1.00 0.00 H new ATOM 635 N ASP A 878 -2.578 6.236 -7.304 1.00 0.00 N ATOM 636 CA ASP A 878 -3.423 5.352 -8.085 1.00 0.00 C ATOM 637 C ASP A 878 -3.601 4.023 -7.356 1.00 0.00 C ATOM 638 O ASP A 878 -4.390 3.159 -7.751 1.00 0.00 O ATOM 639 CB ASP A 878 -2.748 5.155 -9.465 1.00 0.00 C ATOM 640 CG ASP A 878 -3.327 4.048 -10.323 1.00 0.00 C ATOM 641 OD1 ASP A 878 -4.514 4.131 -10.718 1.00 0.00 O ATOM 642 OD2 ASP A 878 -2.588 3.068 -10.622 1.00 0.00 O ATOM 0 H ASP A 878 -1.588 6.131 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.416 5.780 -8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.813 6.092 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -1.689 4.952 -9.306 1.00 0.00 H new ATOM 647 N GLY A 879 -2.923 3.894 -6.257 1.00 0.00 N ATOM 648 CA GLY A 879 -2.928 2.677 -5.527 1.00 0.00 C ATOM 649 C GLY A 879 -1.619 2.008 -5.729 1.00 0.00 C ATOM 650 O GLY A 879 -1.526 0.802 -5.824 1.00 0.00 O ATOM 0 H GLY A 879 -2.353 4.633 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.096 2.870 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.740 2.034 -5.867 1.00 0.00 H new ATOM 654 N SER A 880 -0.603 2.800 -5.778 1.00 0.00 N ATOM 655 CA SER A 880 0.699 2.345 -6.125 1.00 0.00 C ATOM 656 C SER A 880 1.594 2.338 -4.891 1.00 0.00 C ATOM 657 O SER A 880 1.227 2.891 -3.846 1.00 0.00 O ATOM 658 CB SER A 880 1.245 3.302 -7.185 1.00 0.00 C ATOM 659 OG SER A 880 0.275 3.494 -8.209 1.00 0.00 O ATOM 0 H SER A 880 -0.655 3.798 -5.575 1.00 0.00 H new ATOM 0 HA SER A 880 0.668 1.327 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.499 4.259 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 880 2.163 2.900 -7.613 1.00 0.00 H new ATOM 0 HG SER A 880 0.630 4.109 -8.884 1.00 0.00 H new ATOM 665 N PRO A 881 2.728 1.636 -4.954 1.00 0.00 N ATOM 666 CA PRO A 881 3.718 1.691 -3.908 1.00 0.00 C ATOM 667 C PRO A 881 4.419 3.049 -3.939 1.00 0.00 C ATOM 668 O PRO A 881 4.876 3.517 -5.002 1.00 0.00 O ATOM 669 CB PRO A 881 4.680 0.547 -4.252 1.00 0.00 C ATOM 670 CG PRO A 881 3.959 -0.269 -5.264 1.00 0.00 C ATOM 671 CD PRO A 881 3.124 0.700 -6.017 1.00 0.00 C ATOM 0 HA PRO A 881 3.306 1.583 -2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.621 0.928 -4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.923 -0.044 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.656 -0.785 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.344 -1.034 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.684 1.194 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.263 0.223 -6.485 1.00 0.00 H new ATOM 679 N MET A 882 4.457 3.695 -2.810 1.00 0.00 N ATOM 680 CA MET A 882 5.010 5.020 -2.713 1.00 0.00 C ATOM 681 C MET A 882 6.099 5.033 -1.667 1.00 0.00 C ATOM 682 O MET A 882 6.083 4.205 -0.740 1.00 0.00 O ATOM 683 CB MET A 882 3.922 6.035 -2.322 1.00 0.00 C ATOM 684 CG MET A 882 2.656 5.960 -3.161 1.00 0.00 C ATOM 685 SD MET A 882 1.487 7.284 -2.800 1.00 0.00 S ATOM 686 CE MET A 882 2.327 8.682 -3.530 1.00 0.00 C ATOM 0 H MET A 882 4.106 3.320 -1.929 1.00 0.00 H new ATOM 0 HA MET A 882 5.419 5.299 -3.684 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.659 5.880 -1.276 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.336 7.040 -2.401 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.924 5.999 -4.217 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.171 4.999 -2.990 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.245 9.543 -2.866 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.379 8.437 -3.679 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.870 8.920 -4.491 1.00 0.00 H new ATOM 696 N ILE A 883 7.031 5.944 -1.809 1.00 0.00 N ATOM 697 CA ILE A 883 8.116 6.105 -0.864 1.00 0.00 C ATOM 698 C ILE A 883 8.117 7.543 -0.350 1.00 0.00 C ATOM 699 O ILE A 883 7.867 8.493 -1.114 1.00 0.00 O ATOM 700 CB ILE A 883 9.508 5.720 -1.478 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.631 5.896 -0.460 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.811 6.560 -2.713 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.923 5.265 -0.896 1.00 0.00 C ATOM 0 H ILE A 883 7.061 6.601 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 883 7.954 5.418 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 883 9.453 4.670 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.793 6.960 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.323 5.461 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.781 6.273 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.039 6.393 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.829 7.615 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.682 5.424 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.774 4.195 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.251 5.717 -1.832 1.00 0.00 H new ATOM 715 N GLY A 884 8.301 7.688 0.933 1.00 0.00 N ATOM 716 CA GLY A 884 8.360 8.989 1.526 1.00 0.00 C ATOM 717 C GLY A 884 9.784 9.445 1.702 1.00 0.00 C ATOM 718 O GLY A 884 10.633 8.676 2.201 1.00 0.00 O ATOM 0 H GLY A 884 8.413 6.915 1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.822 9.701 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.859 8.973 2.494 1.00 0.00 H new ATOM 722 N CYS A 885 10.052 10.663 1.265 1.00 0.00 N ATOM 723 CA CYS A 885 11.351 11.292 1.402 1.00 0.00 C ATOM 724 C CYS A 885 11.504 11.735 2.834 1.00 0.00 C ATOM 725 O CYS A 885 10.525 12.182 3.446 1.00 0.00 O ATOM 726 CB CYS A 885 11.419 12.507 0.451 1.00 0.00 C ATOM 727 SG CYS A 885 12.972 13.495 0.496 1.00 0.00 S ATOM 0 H CYS A 885 9.361 11.251 0.798 1.00 0.00 H new ATOM 0 HA CYS A 885 12.153 10.600 1.145 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.269 12.152 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.585 13.170 0.683 1.00 0.00 H new ATOM 0 HG CYS A 885 13.029 14.262 -0.552 1.00 0.00 H new ATOM 732 N ASP A 886 12.690 11.608 3.391 1.00 0.00 N ATOM 733 CA ASP A 886 12.874 12.009 4.778 1.00 0.00 C ATOM 734 C ASP A 886 12.894 13.530 4.936 1.00 0.00 C ATOM 735 O ASP A 886 12.569 14.059 5.998 1.00 0.00 O ATOM 736 CB ASP A 886 14.158 11.434 5.355 1.00 0.00 C ATOM 737 CG ASP A 886 14.273 11.687 6.854 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.609 10.971 7.648 1.00 0.00 O ATOM 739 OD2 ASP A 886 15.050 12.588 7.280 1.00 0.00 O ATOM 0 H ASP A 886 13.521 11.242 2.926 1.00 0.00 H new ATOM 0 HA ASP A 886 12.021 11.611 5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 886 14.193 10.361 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.014 11.876 4.846 1.00 0.00 H new ATOM 744 N ASP A 887 13.237 14.242 3.881 1.00 0.00 N ATOM 745 CA ASP A 887 13.420 15.678 4.029 1.00 0.00 C ATOM 746 C ASP A 887 12.120 16.449 3.895 1.00 0.00 C ATOM 747 O ASP A 887 11.685 17.105 4.843 1.00 0.00 O ATOM 748 CB ASP A 887 14.461 16.233 3.070 1.00 0.00 C ATOM 749 CG ASP A 887 14.900 17.621 3.466 1.00 0.00 C ATOM 750 OD1 ASP A 887 14.173 18.599 3.220 1.00 0.00 O ATOM 751 OD2 ASP A 887 16.008 17.764 4.037 1.00 0.00 O ATOM 0 H ASP A 887 13.391 13.871 2.943 1.00 0.00 H new ATOM 0 HA ASP A 887 13.789 15.819 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.326 15.570 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.051 16.255 2.060 1.00 0.00 H new ATOM 756 N CYS A 888 11.495 16.376 2.740 1.00 0.00 N ATOM 757 CA CYS A 888 10.264 17.116 2.507 1.00 0.00 C ATOM 758 C CYS A 888 9.075 16.428 3.170 1.00 0.00 C ATOM 759 O CYS A 888 8.116 17.083 3.607 1.00 0.00 O ATOM 760 CB CYS A 888 10.042 17.328 0.993 1.00 0.00 C ATOM 761 SG CYS A 888 10.162 15.824 -0.031 1.00 0.00 S ATOM 0 H CYS A 888 11.813 15.816 1.949 1.00 0.00 H new ATOM 0 HA CYS A 888 10.356 18.100 2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.057 17.770 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 888 10.773 18.052 0.633 1.00 0.00 H new ATOM 0 HG CYS A 888 11.261 15.192 0.254 1.00 0.00 H new ATOM 766 N ASP A 889 9.195 15.113 3.285 1.00 0.00 N ATOM 767 CA ASP A 889 8.173 14.229 3.835 1.00 0.00 C ATOM 768 C ASP A 889 6.890 14.347 3.038 1.00 0.00 C ATOM 769 O ASP A 889 5.869 14.881 3.497 1.00 0.00 O ATOM 770 CB ASP A 889 7.948 14.409 5.361 1.00 0.00 C ATOM 771 CG ASP A 889 7.008 13.361 5.978 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.428 12.203 6.184 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.838 13.681 6.299 1.00 0.00 O ATOM 0 H ASP A 889 10.034 14.614 2.989 1.00 0.00 H new ATOM 0 HA ASP A 889 8.544 13.209 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.911 14.363 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.539 15.403 5.544 1.00 0.00 H new ATOM 778 N ASP A 890 6.999 13.983 1.793 1.00 0.00 N ATOM 779 CA ASP A 890 5.863 13.914 0.916 1.00 0.00 C ATOM 780 C ASP A 890 6.019 12.601 0.175 1.00 0.00 C ATOM 781 O ASP A 890 7.061 11.923 0.357 1.00 0.00 O ATOM 782 CB ASP A 890 5.778 15.130 -0.041 1.00 0.00 C ATOM 783 CG ASP A 890 4.339 15.395 -0.512 1.00 0.00 C ATOM 784 OD1 ASP A 890 3.795 14.574 -1.247 1.00 0.00 O ATOM 785 OD2 ASP A 890 3.733 16.447 -0.097 1.00 0.00 O ATOM 0 H ASP A 890 7.883 13.724 1.354 1.00 0.00 H new ATOM 0 HA ASP A 890 4.925 13.952 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 890 6.163 16.016 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 890 6.416 14.955 -0.907 1.00 0.00 H new ATOM 790 N TRP A 891 5.088 12.231 -0.647 1.00 0.00 N ATOM 791 CA TRP A 891 5.084 10.881 -1.168 1.00 0.00 C ATOM 792 C TRP A 891 5.193 10.796 -2.670 1.00 0.00 C ATOM 793 O TRP A 891 4.349 11.290 -3.396 1.00 0.00 O ATOM 794 CB TRP A 891 3.863 10.116 -0.652 1.00 0.00 C ATOM 795 CG TRP A 891 3.912 9.863 0.820 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.566 10.717 1.822 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.336 8.666 1.446 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.765 10.123 3.039 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.241 8.858 2.836 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.790 7.451 0.963 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.589 7.868 3.743 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.136 6.472 1.849 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.035 6.681 3.232 1.00 0.00 C ATOM 0 H TRP A 891 4.327 12.827 -0.974 1.00 0.00 H new ATOM 0 HA TRP A 891 5.992 10.408 -0.793 1.00 0.00 H new ATOM 0 HB2 TRP A 891 2.961 10.680 -0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.790 9.163 -1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.189 11.719 1.678 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.588 10.553 3.947 1.00 0.00 H new ATOM 0 HE3 TRP A 891 4.869 7.280 -0.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.511 8.028 4.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.493 5.522 1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.316 5.887 3.908 1.00 0.00 H new ATOM 814 N TYR A 892 6.228 10.125 -3.122 1.00 0.00 N ATOM 815 CA TYR A 892 6.465 9.912 -4.533 1.00 0.00 C ATOM 816 C TYR A 892 6.139 8.482 -4.901 1.00 0.00 C ATOM 817 O TYR A 892 6.161 7.591 -4.040 1.00 0.00 O ATOM 818 CB TYR A 892 7.932 10.136 -4.869 1.00 0.00 C ATOM 819 CG TYR A 892 8.436 11.551 -4.786 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.689 12.159 -3.568 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.703 12.266 -5.944 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.183 13.435 -3.507 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.212 13.535 -5.895 1.00 0.00 C ATOM 824 CZ TYR A 892 9.448 14.119 -4.678 1.00 0.00 C ATOM 825 OH TYR A 892 9.984 15.375 -4.627 1.00 0.00 O ATOM 0 H TYR A 892 6.935 9.708 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 892 5.836 10.612 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.532 9.521 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.109 9.771 -5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.494 11.619 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.505 11.812 -6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.364 13.903 -2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.426 14.072 -6.807 1.00 0.00 H new ATOM 0 HH TYR A 892 10.590 15.441 -3.860 1.00 0.00 H new ATOM 835 N HIS A 893 5.857 8.256 -6.160 1.00 0.00 N ATOM 836 CA HIS A 893 5.646 6.905 -6.661 1.00 0.00 C ATOM 837 C HIS A 893 6.998 6.280 -6.921 1.00 0.00 C ATOM 838 O HIS A 893 7.962 6.986 -7.232 1.00 0.00 O ATOM 839 CB HIS A 893 4.848 6.872 -7.979 1.00 0.00 C ATOM 840 CG HIS A 893 3.462 7.426 -7.930 1.00 0.00 C ATOM 841 ND1 HIS A 893 3.046 8.367 -8.850 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.425 7.103 -7.125 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.755 8.583 -8.579 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.350 7.845 -7.550 1.00 0.00 N ATOM 0 H HIS A 893 5.766 8.987 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 893 5.072 6.363 -5.909 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.410 7.424 -8.733 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.791 5.838 -8.318 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.605 8.805 -9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.439 6.398 -6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.123 9.268 -9.125 1.00 0.00 H new ATOM 852 N TRP A 894 7.064 4.981 -6.830 1.00 0.00 N ATOM 853 CA TRP A 894 8.296 4.244 -7.044 1.00 0.00 C ATOM 854 C TRP A 894 8.913 4.462 -8.440 1.00 0.00 C ATOM 855 O TRP A 894 10.067 4.914 -8.525 1.00 0.00 O ATOM 856 CB TRP A 894 8.131 2.752 -6.747 1.00 0.00 C ATOM 857 CG TRP A 894 8.101 2.394 -5.298 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.134 3.234 -4.221 1.00 0.00 C ATOM 859 CD2 TRP A 894 8.065 1.076 -4.772 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.111 2.501 -3.060 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.063 1.178 -3.374 1.00 0.00 C ATOM 862 CE3 TRP A 894 8.025 -0.181 -5.355 1.00 0.00 C ATOM 863 CZ2 TRP A 894 8.021 0.061 -2.552 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.986 -1.285 -4.540 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.984 -1.160 -3.153 1.00 0.00 C ATOM 0 H TRP A 894 6.263 4.392 -6.604 1.00 0.00 H new ATOM 0 HA TRP A 894 9.004 4.659 -6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.207 2.405 -7.210 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.949 2.210 -7.222 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.172 4.312 -4.275 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.127 2.886 -2.116 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.025 -0.290 -6.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 8.018 0.157 -1.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.956 -2.270 -4.983 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.952 -2.050 -2.542 1.00 0.00 H new ATOM 876 N PRO A 895 8.175 4.207 -9.567 1.00 0.00 N ATOM 877 CA PRO A 895 8.752 4.341 -10.915 1.00 0.00 C ATOM 878 C PRO A 895 9.145 5.786 -11.253 1.00 0.00 C ATOM 879 O PRO A 895 9.958 6.043 -12.153 1.00 0.00 O ATOM 880 CB PRO A 895 7.631 3.856 -11.843 1.00 0.00 C ATOM 881 CG PRO A 895 6.388 4.058 -11.056 1.00 0.00 C ATOM 882 CD PRO A 895 6.760 3.752 -9.640 1.00 0.00 C ATOM 0 HA PRO A 895 9.676 3.771 -11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.610 4.425 -12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.764 2.809 -12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 895 6.023 5.080 -11.154 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.592 3.400 -11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.126 4.285 -8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.664 2.689 -9.417 1.00 0.00 H new ATOM 890 N CYS A 896 8.580 6.712 -10.531 1.00 0.00 N ATOM 891 CA CYS A 896 8.836 8.099 -10.725 1.00 0.00 C ATOM 892 C CYS A 896 10.180 8.504 -10.111 1.00 0.00 C ATOM 893 O CYS A 896 10.872 9.395 -10.618 1.00 0.00 O ATOM 894 CB CYS A 896 7.679 8.878 -10.124 1.00 0.00 C ATOM 895 SG CYS A 896 6.072 8.415 -10.843 1.00 0.00 S ATOM 0 H CYS A 896 7.919 6.514 -9.780 1.00 0.00 H new ATOM 0 HA CYS A 896 8.909 8.324 -11.789 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.653 8.709 -9.047 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.847 9.944 -10.276 1.00 0.00 H new ATOM 0 HG CYS A 896 5.274 9.441 -10.819 1.00 0.00 H new ATOM 900 N VAL A 897 10.562 7.842 -9.044 1.00 0.00 N ATOM 901 CA VAL A 897 11.824 8.155 -8.406 1.00 0.00 C ATOM 902 C VAL A 897 12.916 7.132 -8.686 1.00 0.00 C ATOM 903 O VAL A 897 14.076 7.356 -8.350 1.00 0.00 O ATOM 904 CB VAL A 897 11.695 8.414 -6.899 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.939 9.700 -6.666 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.000 7.265 -6.202 1.00 0.00 C ATOM 0 H VAL A 897 10.028 7.093 -8.603 1.00 0.00 H new ATOM 0 HA VAL A 897 12.134 9.091 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 897 12.697 8.501 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.849 9.880 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.477 10.527 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.944 9.622 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 897 10.924 7.479 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.001 7.137 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.574 6.350 -6.349 1.00 0.00 H new ATOM 916 N GLY A 898 12.554 6.026 -9.290 1.00 0.00 N ATOM 917 CA GLY A 898 13.544 5.029 -9.642 1.00 0.00 C ATOM 918 C GLY A 898 13.609 3.917 -8.631 1.00 0.00 C ATOM 919 O GLY A 898 14.588 3.182 -8.558 1.00 0.00 O ATOM 0 H GLY A 898 11.595 5.792 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.308 4.614 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.522 5.503 -9.723 1.00 0.00 H new ATOM 923 N ILE A 899 12.565 3.786 -7.861 1.00 0.00 N ATOM 924 CA ILE A 899 12.485 2.754 -6.861 1.00 0.00 C ATOM 925 C ILE A 899 11.695 1.581 -7.448 1.00 0.00 C ATOM 926 O ILE A 899 10.702 1.784 -8.139 1.00 0.00 O ATOM 927 CB ILE A 899 11.788 3.275 -5.557 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.582 4.422 -4.896 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.563 2.150 -4.547 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.923 4.033 -4.343 1.00 0.00 C ATOM 0 H ILE A 899 11.745 4.391 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 899 13.492 2.439 -6.587 1.00 0.00 H new ATOM 0 HB ILE A 899 10.817 3.664 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.725 5.214 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.981 4.841 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.078 2.551 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.928 1.383 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.522 1.712 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.401 4.907 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.793 3.265 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.549 3.644 -5.146 1.00 0.00 H new ATOM 942 N MET A 900 12.165 0.381 -7.233 1.00 0.00 N ATOM 943 CA MET A 900 11.452 -0.792 -7.701 1.00 0.00 C ATOM 944 C MET A 900 11.085 -1.700 -6.543 1.00 0.00 C ATOM 945 O MET A 900 10.163 -2.500 -6.645 1.00 0.00 O ATOM 946 CB MET A 900 12.244 -1.570 -8.763 1.00 0.00 C ATOM 947 CG MET A 900 13.577 -2.129 -8.295 1.00 0.00 C ATOM 948 SD MET A 900 14.401 -3.098 -9.570 1.00 0.00 S ATOM 949 CE MET A 900 15.926 -3.516 -8.732 1.00 0.00 C ATOM 0 H MET A 900 13.035 0.184 -6.739 1.00 0.00 H new ATOM 0 HA MET A 900 10.536 -0.437 -8.174 1.00 0.00 H new ATOM 0 HB2 MET A 900 11.628 -2.395 -9.121 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.422 -0.913 -9.614 1.00 0.00 H new ATOM 0 HG2 MET A 900 14.226 -1.308 -7.991 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.418 -2.752 -7.415 1.00 0.00 H new ATOM 0 HE1 MET A 900 16.550 -4.118 -9.392 1.00 0.00 H new ATOM 0 HE2 MET A 900 16.457 -2.602 -8.465 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.701 -4.082 -7.828 1.00 0.00 H new ATOM 959 N ALA A 901 11.811 -1.575 -5.451 1.00 0.00 N ATOM 960 CA ALA A 901 11.569 -2.367 -4.264 1.00 0.00 C ATOM 961 C ALA A 901 11.734 -1.471 -3.062 1.00 0.00 C ATOM 962 O ALA A 901 12.521 -0.524 -3.130 1.00 0.00 O ATOM 963 CB ALA A 901 12.534 -3.544 -4.201 1.00 0.00 C ATOM 0 H ALA A 901 12.587 -0.919 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 901 10.559 -2.776 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.337 -4.128 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.398 -4.174 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.559 -3.173 -4.176 1.00 0.00 H new ATOM 969 N ALA A 902 11.019 -1.763 -1.989 1.00 0.00 N ATOM 970 CA ALA A 902 11.036 -0.942 -0.773 1.00 0.00 C ATOM 971 C ALA A 902 12.434 -0.887 -0.163 1.00 0.00 C ATOM 972 O ALA A 902 12.971 -1.917 0.249 1.00 0.00 O ATOM 973 CB ALA A 902 10.030 -1.469 0.221 1.00 0.00 C ATOM 0 H ALA A 902 10.406 -2.576 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 902 10.758 0.077 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.050 -0.853 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.033 -1.437 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.279 -2.498 0.480 1.00 0.00 H new ATOM 979 N PRO A 903 13.060 0.299 -0.126 1.00 0.00 N ATOM 980 CA PRO A 903 14.430 0.432 0.288 1.00 0.00 C ATOM 981 C PRO A 903 14.696 1.282 1.518 1.00 0.00 C ATOM 982 O PRO A 903 13.798 1.860 2.148 1.00 0.00 O ATOM 983 CB PRO A 903 14.920 1.274 -0.847 1.00 0.00 C ATOM 984 CG PRO A 903 13.840 2.299 -0.999 1.00 0.00 C ATOM 985 CD PRO A 903 12.554 1.609 -0.567 1.00 0.00 C ATOM 0 HA PRO A 903 14.857 -0.545 0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.883 1.733 -0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.051 0.688 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.041 3.174 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 903 13.771 2.645 -2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.050 2.146 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 903 11.841 1.519 -1.387 1.00 0.00 H new ATOM 993 N PRO A 904 15.935 1.263 1.915 1.00 0.00 N ATOM 994 CA PRO A 904 16.534 2.285 2.690 1.00 0.00 C ATOM 995 C PRO A 904 17.760 2.871 1.949 1.00 0.00 C ATOM 996 O PRO A 904 18.153 2.411 0.865 1.00 0.00 O ATOM 997 CB PRO A 904 17.078 1.466 3.835 1.00 0.00 C ATOM 998 CG PRO A 904 17.531 0.180 3.200 1.00 0.00 C ATOM 999 CD PRO A 904 16.825 0.098 1.845 1.00 0.00 C ATOM 0 HA PRO A 904 15.859 3.105 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 904 17.904 1.976 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 904 16.315 1.287 4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 904 18.614 0.168 3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.273 -0.675 3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 904 17.525 0.164 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.273 -0.834 1.724 1.00 0.00 H new ATOM 1007 N GLU A 905 18.284 3.942 2.423 1.00 0.00 N ATOM 1008 CA GLU A 905 19.675 4.124 2.145 1.00 0.00 C ATOM 1009 C GLU A 905 20.292 3.335 3.269 1.00 0.00 C ATOM 1010 O GLU A 905 20.908 2.299 3.120 1.00 0.00 O ATOM 1011 CB GLU A 905 20.097 5.574 2.260 1.00 0.00 C ATOM 1012 CG GLU A 905 19.317 6.525 1.417 1.00 0.00 C ATOM 1013 CD GLU A 905 19.748 7.928 1.677 1.00 0.00 C ATOM 1014 OE1 GLU A 905 19.434 8.451 2.756 1.00 0.00 O ATOM 1015 OE2 GLU A 905 20.421 8.525 0.809 1.00 0.00 O ATOM 0 H GLU A 905 17.817 4.666 2.969 1.00 0.00 H new ATOM 0 HA GLU A 905 19.957 3.821 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 905 20.010 5.881 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 905 21.150 5.653 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 905 19.457 6.285 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 905 18.253 6.420 1.629 1.00 0.00 H new ATOM 1022 N GLU A 906 19.955 3.855 4.398 1.00 0.00 N ATOM 1023 CA GLU A 906 20.154 3.343 5.699 1.00 0.00 C ATOM 1024 C GLU A 906 18.747 3.050 6.226 1.00 0.00 C ATOM 1025 O GLU A 906 18.508 2.099 6.943 1.00 0.00 O ATOM 1026 CB GLU A 906 20.872 4.399 6.542 1.00 0.00 C ATOM 1027 CG GLU A 906 20.169 5.738 6.560 1.00 0.00 C ATOM 1028 CD GLU A 906 20.917 6.782 7.306 1.00 0.00 C ATOM 1029 OE1 GLU A 906 20.790 6.850 8.537 1.00 0.00 O ATOM 1030 OE2 GLU A 906 21.619 7.580 6.669 1.00 0.00 O ATOM 0 H GLU A 906 19.477 4.756 4.428 1.00 0.00 H new ATOM 0 HA GLU A 906 20.770 2.444 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 906 20.966 4.033 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 906 21.883 4.534 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 906 20.015 6.074 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 906 19.183 5.617 7.008 1.00 0.00 H new ATOM 1037 N MET A 907 17.794 3.921 5.724 1.00 0.00 N ATOM 1038 CA MET A 907 16.361 3.937 6.050 1.00 0.00 C ATOM 1039 C MET A 907 15.769 5.216 5.544 1.00 0.00 C ATOM 1040 O MET A 907 14.607 5.322 5.242 1.00 0.00 O ATOM 1041 CB MET A 907 16.167 3.885 7.502 1.00 0.00 C ATOM 1042 CG MET A 907 14.742 3.679 7.925 1.00 0.00 C ATOM 1043 SD MET A 907 14.536 3.585 9.725 1.00 0.00 S ATOM 1044 CE MET A 907 15.073 5.224 10.230 1.00 0.00 C ATOM 0 H MET A 907 18.042 4.651 5.056 1.00 0.00 H new ATOM 0 HA MET A 907 15.882 3.073 5.589 1.00 0.00 H new ATOM 0 HB2 MET A 907 16.776 3.078 7.910 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.534 4.813 7.940 1.00 0.00 H new ATOM 0 HG2 MET A 907 14.133 4.497 7.539 1.00 0.00 H new ATOM 0 HG3 MET A 907 14.365 2.761 7.474 1.00 0.00 H new ATOM 0 HE1 MET A 907 14.727 5.424 11.244 1.00 0.00 H new ATOM 0 HE2 MET A 907 16.161 5.275 10.201 1.00 0.00 H new ATOM 0 HE3 MET A 907 14.657 5.968 9.551 1.00 0.00 H new ATOM 1054 N GLN A 908 16.621 6.144 5.493 1.00 0.00 N ATOM 1055 CA GLN A 908 16.356 7.544 5.076 1.00 0.00 C ATOM 1056 C GLN A 908 15.743 7.712 3.691 1.00 0.00 C ATOM 1057 O GLN A 908 14.578 7.587 3.528 1.00 0.00 O ATOM 1058 CB GLN A 908 17.601 8.404 5.190 1.00 0.00 C ATOM 1059 CG GLN A 908 18.137 8.618 6.565 1.00 0.00 C ATOM 1060 CD GLN A 908 17.180 9.344 7.415 1.00 0.00 C ATOM 1061 OE1 GLN A 908 16.405 8.749 8.151 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.162 10.611 7.238 1.00 0.00 N ATOM 0 H GLN A 908 17.597 5.992 5.746 1.00 0.00 H new ATOM 0 HA GLN A 908 15.596 7.883 5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.386 7.951 4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.384 9.379 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 908 18.369 7.655 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 908 19.071 9.177 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 908 17.836 11.048 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 908 16.473 11.184 7.725 1.00 0.00 H new ATOM 1071 N TRP A 909 16.562 8.080 2.761 1.00 0.00 N ATOM 1072 CA TRP A 909 16.231 8.269 1.345 1.00 0.00 C ATOM 1073 C TRP A 909 15.592 9.616 1.130 1.00 0.00 C ATOM 1074 O TRP A 909 14.690 10.038 1.878 1.00 0.00 O ATOM 1075 CB TRP A 909 15.390 7.113 0.733 1.00 0.00 C ATOM 1076 CG TRP A 909 15.088 7.253 -0.740 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.767 6.683 -1.775 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.018 8.008 -1.332 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.188 7.040 -2.972 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.116 7.854 -2.722 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.992 8.798 -0.812 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.226 8.460 -3.595 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.111 9.401 -1.680 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.231 9.228 -3.055 1.00 0.00 C ATOM 0 H TRP A 909 17.544 8.274 2.958 1.00 0.00 H new ATOM 0 HA TRP A 909 17.173 8.241 0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.921 6.174 0.892 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.448 7.042 1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.632 6.045 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.506 6.746 -3.895 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.891 8.934 0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.315 8.330 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.315 10.017 -1.288 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.522 9.711 -3.711 1.00 0.00 H new ATOM 1095 N PHE A 910 16.067 10.289 0.138 1.00 0.00 N ATOM 1096 CA PHE A 910 15.598 11.588 -0.194 1.00 0.00 C ATOM 1097 C PHE A 910 15.317 11.618 -1.677 1.00 0.00 C ATOM 1098 O PHE A 910 16.031 10.965 -2.459 1.00 0.00 O ATOM 1099 CB PHE A 910 16.653 12.645 0.175 1.00 0.00 C ATOM 1100 CG PHE A 910 17.081 12.602 1.620 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.322 13.206 2.599 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.248 11.954 1.991 1.00 0.00 C ATOM 1103 CE1 PHE A 910 16.710 13.168 3.919 1.00 0.00 C ATOM 1104 CE2 PHE A 910 18.640 11.910 3.308 1.00 0.00 C ATOM 1105 CZ PHE A 910 17.867 12.519 4.276 1.00 0.00 C ATOM 0 H PHE A 910 16.806 9.944 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 910 14.689 11.815 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.530 12.506 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.254 13.635 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.410 13.716 2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 910 18.857 11.478 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.105 13.648 4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.551 11.400 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.171 12.485 5.312 1.00 0.00 H new ATOM 1115 N CYS A 911 14.279 12.322 -2.063 1.00 0.00 N ATOM 1116 CA CYS A 911 13.910 12.431 -3.454 1.00 0.00 C ATOM 1117 C CYS A 911 14.987 13.211 -4.223 1.00 0.00 C ATOM 1118 O CYS A 911 15.748 13.947 -3.611 1.00 0.00 O ATOM 1119 CB CYS A 911 12.528 13.106 -3.583 1.00 0.00 C ATOM 1120 SG CYS A 911 12.398 14.816 -2.967 1.00 0.00 S ATOM 0 H CYS A 911 13.669 12.833 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 911 13.840 11.434 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.242 13.100 -4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.799 12.495 -3.051 1.00 0.00 H new ATOM 0 HG CYS A 911 11.583 14.852 -1.955 1.00 0.00 H new ATOM 1125 N PRO A 912 15.061 13.071 -5.570 1.00 0.00 N ATOM 1126 CA PRO A 912 16.061 13.765 -6.417 1.00 0.00 C ATOM 1127 C PRO A 912 16.117 15.302 -6.217 1.00 0.00 C ATOM 1128 O PRO A 912 17.078 15.949 -6.630 1.00 0.00 O ATOM 1129 CB PRO A 912 15.621 13.427 -7.855 1.00 0.00 C ATOM 1130 CG PRO A 912 14.256 12.832 -7.722 1.00 0.00 C ATOM 1131 CD PRO A 912 14.216 12.189 -6.377 1.00 0.00 C ATOM 0 HA PRO A 912 17.068 13.434 -6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.601 14.320 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.312 12.725 -8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.486 13.598 -7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 912 14.071 12.101 -8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.200 12.133 -5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.604 11.171 -6.404 1.00 0.00 H new ATOM 1139 N LYS A 913 15.109 15.864 -5.582 1.00 0.00 N ATOM 1140 CA LYS A 913 15.071 17.290 -5.318 1.00 0.00 C ATOM 1141 C LYS A 913 15.817 17.584 -4.017 1.00 0.00 C ATOM 1142 O LYS A 913 16.688 18.466 -3.960 1.00 0.00 O ATOM 1143 CB LYS A 913 13.620 17.760 -5.217 1.00 0.00 C ATOM 1144 CG LYS A 913 12.791 17.402 -6.436 1.00 0.00 C ATOM 1145 CD LYS A 913 11.364 17.867 -6.300 1.00 0.00 C ATOM 1146 CE LYS A 913 10.519 17.381 -7.462 1.00 0.00 C ATOM 1147 NZ LYS A 913 9.124 17.834 -7.349 1.00 0.00 N ATOM 0 H LYS A 913 14.298 15.351 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 913 15.554 17.826 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.162 17.318 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.604 18.841 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 913 13.237 17.852 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.809 16.322 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 913 10.946 17.499 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.336 18.956 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 913 10.944 17.744 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.546 16.292 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 8.486 17.073 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 8.917 18.078 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 8.981 18.671 -7.949 1.00 0.00 H new ATOM 1161 N CYS A 914 15.514 16.804 -2.994 1.00 0.00 N ATOM 1162 CA CYS A 914 16.130 16.957 -1.690 1.00 0.00 C ATOM 1163 C CYS A 914 17.517 16.327 -1.643 1.00 0.00 C ATOM 1164 O CYS A 914 18.409 16.836 -1.000 1.00 0.00 O ATOM 1165 CB CYS A 914 15.232 16.337 -0.625 1.00 0.00 C ATOM 1166 SG CYS A 914 13.632 17.169 -0.419 1.00 0.00 S ATOM 0 H CYS A 914 14.833 16.046 -3.045 1.00 0.00 H new ATOM 0 HA CYS A 914 16.249 18.023 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.055 15.292 -0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 914 15.759 16.348 0.329 1.00 0.00 H new ATOM 0 HG CYS A 914 12.756 16.627 -1.212 1.00 0.00 H new ATOM 1171 N ALA A 915 17.690 15.244 -2.339 1.00 0.00 N ATOM 1172 CA ALA A 915 18.963 14.558 -2.363 1.00 0.00 C ATOM 1173 C ALA A 915 19.981 15.340 -3.163 1.00 0.00 C ATOM 1174 O ALA A 915 21.179 15.188 -2.972 1.00 0.00 O ATOM 1175 CB ALA A 915 18.807 13.160 -2.911 1.00 0.00 C ATOM 0 H ALA A 915 16.963 14.807 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 915 19.327 14.482 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 915 19.777 12.662 -2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.116 12.598 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.415 13.209 -3.927 1.00 0.00 H new ATOM 1181 N ASN A 916 19.496 16.214 -4.027 1.00 0.00 N ATOM 1182 CA ASN A 916 20.363 17.038 -4.859 1.00 0.00 C ATOM 1183 C ASN A 916 21.176 17.998 -4.012 1.00 0.00 C ATOM 1184 O ASN A 916 22.333 18.239 -4.294 1.00 0.00 O ATOM 1185 CB ASN A 916 19.567 17.801 -5.928 1.00 0.00 C ATOM 1186 CG ASN A 916 20.449 18.698 -6.792 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.008 18.250 -7.797 1.00 0.00 O ATOM 1188 ND2 ASN A 916 20.544 19.956 -6.445 1.00 0.00 N ATOM 0 H ASN A 916 18.499 16.374 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 916 21.050 16.367 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.047 17.087 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.804 18.409 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 916 21.094 20.601 -7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 916 20.068 20.291 -5.607 1.00 0.00 H new ATOM 1195 N LYS A 917 20.588 18.481 -2.919 1.00 0.00 N ATOM 1196 CA LYS A 917 21.283 19.431 -2.045 1.00 0.00 C ATOM 1197 C LYS A 917 22.330 18.701 -1.190 1.00 0.00 C ATOM 1198 O LYS A 917 23.117 19.322 -0.479 1.00 0.00 O ATOM 1199 CB LYS A 917 20.291 20.206 -1.143 1.00 0.00 C ATOM 1200 CG LYS A 917 19.638 19.352 -0.074 1.00 0.00 C ATOM 1201 CD LYS A 917 18.656 20.121 0.790 1.00 0.00 C ATOM 1202 CE LYS A 917 18.038 19.198 1.834 1.00 0.00 C ATOM 1203 NZ LYS A 917 17.037 19.881 2.674 1.00 0.00 N ATOM 0 H LYS A 917 19.645 18.236 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 917 21.789 20.159 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.819 21.030 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.514 20.646 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 917 19.119 18.520 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.412 18.923 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 917 19.165 20.950 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.873 20.553 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.569 18.351 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 917 18.827 18.795 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 16.773 19.265 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 17.438 20.767 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 16.193 20.093 2.105 1.00 0.00 H new ATOM 1217 N ILE A 918 22.302 17.392 -1.241 1.00 0.00 N ATOM 1218 CA ILE A 918 23.245 16.567 -0.525 1.00 0.00 C ATOM 1219 C ILE A 918 24.444 16.301 -1.436 1.00 0.00 C ATOM 1220 O ILE A 918 25.609 16.439 -1.039 1.00 0.00 O ATOM 1221 CB ILE A 918 22.596 15.201 -0.178 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.223 15.386 0.504 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.525 14.352 0.685 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.255 16.092 1.844 1.00 0.00 C ATOM 0 H ILE A 918 21.619 16.865 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 918 23.548 17.076 0.390 1.00 0.00 H new ATOM 0 HB ILE A 918 22.431 14.670 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 918 20.575 15.948 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.768 14.405 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.043 13.401 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.455 14.168 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.742 14.880 1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.242 16.171 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 918 21.871 15.523 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.675 17.090 1.719 1.00 0.00 H new