USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 481 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 870 CYS SG : rot -163:sc= 1.28 USER MOD Set 1.2: A 873 CYS SG : rot -170:sc= -4.02! USER MOD Set 1.3: A 893 HIS :FLIP no HD1:sc= -1.61 F(o=-10!,f=-8.7) USER MOD Set 1.4: A 896 CYS SG : rot -137:sc= -4.38! USER MOD Set 2.1: A 885 CYS SG : rot 171:sc= -0.558! USER MOD Set 2.2: A 888 CYS SG : rot -49:sc= 1.07 USER MOD Set 2.3: A 892 TYR OH : rot 29:sc= 1.33 USER MOD Set 2.4: A 911 CYS SG : rot -113:sc= 1.39 USER MOD Set 2.5: A 914 CYS SG : rot 94:sc= 1.1 USER MOD Set 2.6: A 917 LYS NZ :NH3+ -157:sc= 2.11 (180deg=1.1) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN :FLIP amide:sc= -1.37 F(o=-2.1!,f=-1.4) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 874 ASN :FLIP amide:sc= -0.129 F(o=-1.8!,f=-0.13) 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 -128:sc= -0.209 (180deg=-1.31) USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 150:sc= 0 (180deg=-0.361) USER MOD Single : A 908 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 913 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0445) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 1 ALA N :NH3+ -151:sc= 1.63 (180deg=0.956) USER MOD Single : P 3 THR OG1 : rot 150:sc= 0 USER MOD Single : P 5 GLN : amide:sc= -0.0988 K(o=-0.099,f=-0.67) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.240 5.603 4.772 1.00 0.00 N ATOM 2 CA ALA P 1 12.496 5.303 3.553 1.00 0.00 C ATOM 3 C ALA P 1 11.289 4.469 3.898 1.00 0.00 C ATOM 4 O ALA P 1 11.386 3.254 4.114 1.00 0.00 O ATOM 5 CB ALA P 1 13.366 4.565 2.529 1.00 0.00 C ATOM 0 H1 ALA P 1 13.735 6.511 4.662 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.582 5.662 5.575 1.00 0.00 H new ATOM 0 H3 ALA P 1 13.935 4.850 4.949 1.00 0.00 H new ATOM 0 HA ALA P 1 12.182 6.245 3.103 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.779 4.358 1.634 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.223 5.185 2.265 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.716 3.626 2.958 1.00 0.00 H new ATOM 13 N ARG P 2 10.169 5.126 4.011 1.00 0.00 N ATOM 14 CA ARG P 2 8.923 4.471 4.307 1.00 0.00 C ATOM 15 C ARG P 2 8.282 4.144 2.982 1.00 0.00 C ATOM 16 O ARG P 2 8.249 4.997 2.095 1.00 0.00 O ATOM 17 CB ARG P 2 8.011 5.434 5.067 1.00 0.00 C ATOM 18 CG ARG P 2 7.143 4.803 6.154 1.00 0.00 C ATOM 19 CD ARG P 2 6.186 3.721 5.659 1.00 0.00 C ATOM 20 NE ARG P 2 5.477 3.080 6.774 1.00 0.00 N ATOM 21 CZ ARG P 2 4.613 2.065 6.672 1.00 0.00 C ATOM 22 NH1 ARG P 2 4.337 1.528 5.490 1.00 0.00 N ATOM 23 NH2 ARG P 2 4.044 1.578 7.766 1.00 0.00 N ATOM 0 H ARG P 2 10.093 6.137 3.900 1.00 0.00 H new ATOM 0 HA ARG P 2 9.083 3.578 4.911 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.629 6.207 5.524 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.358 5.931 4.349 1.00 0.00 H new ATOM 0 HG2 ARG P 2 7.794 4.373 6.915 1.00 0.00 H new ATOM 0 HG3 ARG P 2 6.563 5.589 6.638 1.00 0.00 H new ATOM 0 HD2 ARG P 2 5.463 4.160 4.971 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.743 2.969 5.100 1.00 0.00 H new ATOM 0 HE ARG P 2 5.660 3.442 7.710 1.00 0.00 H new ATOM 0 HH11 ARG P 2 4.786 1.889 4.648 1.00 0.00 H new ATOM 0 HH12 ARG P 2 3.676 0.754 5.423 1.00 0.00 H new ATOM 0 HH21 ARG P 2 4.266 1.978 8.678 1.00 0.00 H new ATOM 0 HH22 ARG P 2 3.384 0.804 7.696 1.00 0.00 H new ATOM 37 N THR P 3 7.809 2.950 2.816 1.00 0.00 N ATOM 38 CA THR P 3 7.168 2.604 1.587 1.00 0.00 C ATOM 39 C THR P 3 5.735 2.191 1.817 1.00 0.00 C ATOM 40 O THR P 3 5.392 1.635 2.871 1.00 0.00 O ATOM 41 CB THR P 3 7.941 1.518 0.818 1.00 0.00 C ATOM 42 OG1 THR P 3 8.214 0.406 1.680 1.00 0.00 O ATOM 43 CG2 THR P 3 9.245 2.075 0.266 1.00 0.00 C ATOM 0 H THR P 3 7.853 2.203 3.509 1.00 0.00 H new ATOM 0 HA THR P 3 7.166 3.499 0.964 1.00 0.00 H new ATOM 0 HB THR P 3 7.325 1.184 -0.017 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.247 -0.418 1.150 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.776 1.291 -0.274 1.00 0.00 H new ATOM 0 HG22 THR P 3 9.030 2.901 -0.412 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.865 2.433 1.088 1.00 0.00 H new ATOM 82 N GLN P 5 1.901 1.337 -0.619 1.00 0.00 N ATOM 83 CA GLN P 5 1.331 1.004 -1.890 1.00 0.00 C ATOM 84 C GLN P 5 -0.152 1.197 -1.784 1.00 0.00 C ATOM 85 O GLN P 5 -0.727 2.016 -2.489 1.00 0.00 O ATOM 86 CB GLN P 5 1.664 -0.434 -2.276 1.00 0.00 C ATOM 87 CG GLN P 5 1.068 -0.853 -3.601 1.00 0.00 C ATOM 88 CD GLN P 5 1.493 -2.225 -4.022 1.00 0.00 C ATOM 89 OE1 GLN P 5 1.793 -3.087 -3.195 1.00 0.00 O ATOM 90 NE2 GLN P 5 1.497 -2.460 -5.296 1.00 0.00 N ATOM 0 HA GLN P 5 1.743 1.646 -2.669 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.747 -0.549 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.304 -1.105 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.019 -0.820 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.360 -0.136 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN P 5 1.243 -1.721 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN P 5 1.754 -3.384 -5.643 1.00 0.00 H new ATOM 99 N THR P 6 -0.738 0.472 -0.849 1.00 0.00 N ATOM 100 CA THR P 6 -2.148 0.523 -0.557 1.00 0.00 C ATOM 101 C THR P 6 -2.996 0.184 -1.789 1.00 0.00 C ATOM 102 O THR P 6 -3.532 1.064 -2.485 1.00 0.00 O ATOM 103 CB THR P 6 -2.552 1.881 0.084 1.00 0.00 C ATOM 104 OG1 THR P 6 -1.679 2.129 1.213 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.997 1.848 0.584 1.00 0.00 C ATOM 0 H THR P 6 -0.227 -0.185 -0.259 1.00 0.00 H new ATOM 0 HA THR P 6 -2.355 -0.248 0.185 1.00 0.00 H new ATOM 0 HB THR P 6 -2.463 2.665 -0.668 1.00 0.00 H new ATOM 0 HG1 THR P 6 -1.918 2.983 1.630 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.251 2.811 1.027 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.667 1.645 -0.252 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.105 1.064 1.334 1.00 0.00 H new ATOM 301 N TYR A 857 0.971 18.901 -1.569 1.00 0.00 N ATOM 302 CA TYR A 857 0.586 17.833 -2.469 1.00 0.00 C ATOM 303 C TYR A 857 -0.460 16.935 -1.840 1.00 0.00 C ATOM 304 O TYR A 857 -0.966 16.018 -2.462 1.00 0.00 O ATOM 305 CB TYR A 857 1.795 17.043 -2.937 1.00 0.00 C ATOM 306 CG TYR A 857 2.696 17.794 -3.903 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.462 17.751 -5.270 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.771 18.550 -3.453 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.264 18.434 -6.156 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.578 19.240 -4.336 1.00 0.00 C ATOM 311 CZ TYR A 857 4.320 19.177 -5.684 1.00 0.00 C ATOM 312 OH TYR A 857 5.119 19.863 -6.561 1.00 0.00 O ATOM 0 HA TYR A 857 0.136 18.288 -3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.381 16.748 -2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.452 16.126 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.633 17.170 -5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 857 3.979 18.599 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 857 3.065 18.386 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.408 19.826 -3.969 1.00 0.00 H new ATOM 0 HH TYR A 857 5.818 20.338 -6.064 1.00 0.00 H new ATOM 322 N VAL A 858 -0.774 17.219 -0.617 1.00 0.00 N ATOM 323 CA VAL A 858 -1.811 16.525 0.085 1.00 0.00 C ATOM 324 C VAL A 858 -3.128 17.259 -0.139 1.00 0.00 C ATOM 325 O VAL A 858 -3.305 18.398 0.318 1.00 0.00 O ATOM 326 CB VAL A 858 -1.533 16.449 1.600 1.00 0.00 C ATOM 327 CG1 VAL A 858 -2.592 15.615 2.295 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.155 15.887 1.874 1.00 0.00 C ATOM 0 H VAL A 858 -0.314 17.947 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.856 15.506 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 858 -1.570 17.463 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.379 15.573 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -3.572 16.066 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.588 14.605 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 858 0.013 15.845 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.082 14.883 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.597 16.528 1.414 1.00 0.00 H new ATOM 338 N ILE A 859 -4.006 16.643 -0.873 1.00 0.00 N ATOM 339 CA ILE A 859 -5.314 17.201 -1.153 1.00 0.00 C ATOM 340 C ILE A 859 -6.371 16.270 -0.598 1.00 0.00 C ATOM 341 O ILE A 859 -6.052 15.177 -0.146 1.00 0.00 O ATOM 342 CB ILE A 859 -5.565 17.404 -2.676 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.475 16.059 -3.430 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.583 18.426 -3.253 1.00 0.00 C ATOM 345 CD1 ILE A 859 -5.854 16.140 -4.893 1.00 0.00 C ATOM 0 H ILE A 859 -3.843 15.732 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.363 18.182 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.574 17.795 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.457 15.679 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.125 15.335 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -4.775 18.554 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.711 19.381 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.562 18.072 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -5.764 15.153 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -6.883 16.488 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.189 16.837 -5.403 1.00 0.00 H new ATOM 357 N ARG A 860 -7.598 16.700 -0.591 1.00 0.00 N ATOM 358 CA ARG A 860 -8.683 15.862 -0.147 1.00 0.00 C ATOM 359 C ARG A 860 -9.515 15.403 -1.310 1.00 0.00 C ATOM 360 O ARG A 860 -9.713 16.149 -2.268 1.00 0.00 O ATOM 361 CB ARG A 860 -9.572 16.575 0.864 1.00 0.00 C ATOM 362 CG ARG A 860 -8.903 16.848 2.181 1.00 0.00 C ATOM 363 CD ARG A 860 -9.843 17.535 3.147 1.00 0.00 C ATOM 364 NE ARG A 860 -9.185 17.779 4.424 1.00 0.00 N ATOM 365 CZ ARG A 860 -9.769 17.771 5.626 1.00 0.00 C ATOM 366 NH1 ARG A 860 -11.085 17.611 5.743 1.00 0.00 N ATOM 367 NH2 ARG A 860 -9.024 17.954 6.703 1.00 0.00 N ATOM 0 H ARG A 860 -7.879 17.634 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.235 14.996 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.907 17.520 0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.462 15.971 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.555 15.911 2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -8.023 17.472 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -10.183 18.479 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.728 16.918 3.301 1.00 0.00 H new ATOM 0 HE ARG A 860 -8.184 17.974 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -11.660 17.493 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -11.518 17.607 6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -8.019 18.099 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -9.455 17.951 7.628 1.00 0.00 H new ATOM 381 N ASP A 861 -9.986 14.182 -1.236 1.00 0.00 N ATOM 382 CA ASP A 861 -10.879 13.644 -2.250 1.00 0.00 C ATOM 383 C ASP A 861 -12.309 13.971 -1.842 1.00 0.00 C ATOM 384 O ASP A 861 -12.521 14.751 -0.899 1.00 0.00 O ATOM 385 CB ASP A 861 -10.684 12.111 -2.430 1.00 0.00 C ATOM 386 CG ASP A 861 -11.192 11.255 -1.282 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.045 11.648 -0.115 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.765 10.175 -1.549 1.00 0.00 O ATOM 0 H ASP A 861 -9.767 13.533 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.652 14.099 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -11.190 11.801 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.622 11.910 -2.570 1.00 0.00 H new ATOM 393 N GLU A 862 -13.280 13.393 -2.522 1.00 0.00 N ATOM 394 CA GLU A 862 -14.693 13.655 -2.246 1.00 0.00 C ATOM 395 C GLU A 862 -15.086 13.207 -0.831 1.00 0.00 C ATOM 396 O GLU A 862 -15.965 13.793 -0.201 1.00 0.00 O ATOM 397 CB GLU A 862 -15.566 12.980 -3.307 1.00 0.00 C ATOM 398 CG GLU A 862 -15.356 11.481 -3.420 1.00 0.00 C ATOM 399 CD GLU A 862 -16.137 10.871 -4.544 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.333 10.593 -4.378 1.00 0.00 O ATOM 401 OE2 GLU A 862 -15.568 10.664 -5.630 1.00 0.00 O ATOM 0 H GLU A 862 -13.120 12.730 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.858 14.731 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.614 13.173 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.363 13.439 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.295 11.277 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.645 11.006 -2.482 1.00 0.00 H new ATOM 408 N TRP A 863 -14.407 12.192 -0.336 1.00 0.00 N ATOM 409 CA TRP A 863 -14.643 11.652 0.975 1.00 0.00 C ATOM 410 C TRP A 863 -13.824 12.387 2.037 1.00 0.00 C ATOM 411 O TRP A 863 -13.884 12.055 3.228 1.00 0.00 O ATOM 412 CB TRP A 863 -14.309 10.168 0.982 1.00 0.00 C ATOM 413 CG TRP A 863 -15.025 9.380 -0.073 1.00 0.00 C ATOM 414 CD1 TRP A 863 -14.470 8.579 -1.023 1.00 0.00 C ATOM 415 CD2 TRP A 863 -16.423 9.357 -0.302 1.00 0.00 C ATOM 416 NE1 TRP A 863 -15.457 8.019 -1.801 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.667 8.493 -1.377 1.00 0.00 C ATOM 418 CE3 TRP A 863 -17.483 9.978 0.314 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -17.946 8.239 -1.841 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -18.758 9.736 -0.141 1.00 0.00 C ATOM 421 CH2 TRP A 863 -18.979 8.868 -1.210 1.00 0.00 C ATOM 0 H TRP A 863 -13.664 11.716 -0.847 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.696 11.789 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.234 10.047 0.846 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.555 9.755 1.960 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -13.411 8.408 -1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -15.310 7.360 -2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -17.317 10.648 1.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -18.119 7.569 -2.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -19.597 10.223 0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -19.990 8.690 -1.546 1.00 0.00 H new ATOM 432 N GLY A 864 -13.040 13.352 1.601 1.00 0.00 N ATOM 433 CA GLY A 864 -12.295 14.169 2.509 1.00 0.00 C ATOM 434 C GLY A 864 -11.118 13.459 3.130 1.00 0.00 C ATOM 435 O GLY A 864 -10.785 13.717 4.296 1.00 0.00 O ATOM 0 H GLY A 864 -12.909 13.583 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.938 15.053 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.959 14.517 3.301 1.00 0.00 H new ATOM 439 N ASN A 865 -10.497 12.562 2.395 1.00 0.00 N ATOM 440 CA ASN A 865 -9.315 11.864 2.893 1.00 0.00 C ATOM 441 C ASN A 865 -8.095 12.608 2.423 1.00 0.00 C ATOM 442 O ASN A 865 -8.191 13.435 1.518 1.00 0.00 O ATOM 443 CB ASN A 865 -9.212 10.418 2.361 1.00 0.00 C ATOM 444 CG ASN A 865 -10.426 9.550 2.615 1.00 0.00 C ATOM 445 OD1 ASN A 865 -11.302 9.481 1.655 1.00 0.00 O flip ATOM 446 ND2 ASN A 865 -10.567 8.930 3.678 1.00 0.00 N flip ATOM 0 H ASN A 865 -10.784 12.294 1.453 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.389 11.825 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.030 10.455 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.343 9.942 2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -9.861 9.006 4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.389 8.343 3.821 1.00 0.00 H new ATOM 453 N GLN A 866 -6.964 12.340 3.026 1.00 0.00 N ATOM 454 CA GLN A 866 -5.721 12.920 2.577 1.00 0.00 C ATOM 455 C GLN A 866 -5.187 12.098 1.442 1.00 0.00 C ATOM 456 O GLN A 866 -4.985 10.883 1.583 1.00 0.00 O ATOM 457 CB GLN A 866 -4.688 12.995 3.695 1.00 0.00 C ATOM 458 CG GLN A 866 -4.998 14.015 4.756 1.00 0.00 C ATOM 459 CD GLN A 866 -3.982 13.995 5.884 1.00 0.00 C ATOM 460 OE1 GLN A 866 -2.955 14.804 5.782 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -4.140 13.260 6.858 1.00 0.00 N flip ATOM 0 H GLN A 866 -6.877 11.721 3.832 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.917 13.941 2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.605 12.014 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.715 13.224 3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.021 15.008 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.992 13.825 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -4.951 12.643 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -3.460 13.268 7.618 1.00 0.00 H new ATOM 470 N ILE A 867 -5.025 12.729 0.334 1.00 0.00 N ATOM 471 CA ILE A 867 -4.534 12.101 -0.859 1.00 0.00 C ATOM 472 C ILE A 867 -3.209 12.747 -1.211 1.00 0.00 C ATOM 473 O ILE A 867 -3.113 13.977 -1.273 1.00 0.00 O ATOM 474 CB ILE A 867 -5.522 12.302 -2.043 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.956 11.866 -1.669 1.00 0.00 C ATOM 476 CG2 ILE A 867 -5.046 11.549 -3.276 1.00 0.00 C ATOM 477 CD1 ILE A 867 -7.099 10.404 -1.290 1.00 0.00 C ATOM 0 H ILE A 867 -5.233 13.721 0.220 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.423 11.031 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.545 13.368 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.301 12.478 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.615 12.074 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.752 11.704 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -4.064 11.918 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.981 10.485 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -8.139 10.192 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.790 9.779 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.471 10.189 -0.426 1.00 0.00 H new ATOM 489 N TRP A 868 -2.215 11.947 -1.424 1.00 0.00 N ATOM 490 CA TRP A 868 -0.895 12.422 -1.724 1.00 0.00 C ATOM 491 C TRP A 868 -0.630 12.426 -3.203 1.00 0.00 C ATOM 492 O TRP A 868 -0.686 11.389 -3.869 1.00 0.00 O ATOM 493 CB TRP A 868 0.168 11.593 -1.009 1.00 0.00 C ATOM 494 CG TRP A 868 0.339 11.927 0.440 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.308 12.713 0.963 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.468 11.499 1.545 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.177 12.796 2.328 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.091 12.063 2.711 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.600 10.694 1.667 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.444 11.847 3.973 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.130 10.481 2.924 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.551 11.055 4.058 1.00 0.00 C ATOM 0 H TRP A 868 -2.294 10.930 -1.395 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.839 13.449 -1.363 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.090 10.538 -1.098 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.122 11.732 -1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 868 2.077 13.206 0.388 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.790 13.319 2.953 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -2.053 10.246 0.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.001 12.289 4.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -3.007 9.860 3.032 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.991 10.867 5.026 1.00 0.00 H new ATOM 513 N ILE A 869 -0.387 13.588 -3.718 1.00 0.00 N ATOM 514 CA ILE A 869 -0.006 13.751 -5.088 1.00 0.00 C ATOM 515 C ILE A 869 1.510 13.585 -5.184 1.00 0.00 C ATOM 516 O ILE A 869 2.251 14.226 -4.436 1.00 0.00 O ATOM 517 CB ILE A 869 -0.400 15.166 -5.616 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.915 15.419 -5.503 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.064 15.372 -7.048 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.775 14.491 -6.323 1.00 0.00 C ATOM 0 H ILE A 869 -0.448 14.462 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.522 13.006 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 869 0.109 15.891 -4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -2.206 15.331 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -2.121 16.445 -5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.226 16.367 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.149 15.274 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.397 14.622 -7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.825 14.746 -6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.518 14.593 -7.377 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.605 13.462 -6.006 1.00 0.00 H new ATOM 532 N CYS A 870 1.949 12.702 -6.053 1.00 0.00 N ATOM 533 CA CYS A 870 3.352 12.512 -6.306 1.00 0.00 C ATOM 534 C CYS A 870 3.855 13.706 -7.102 1.00 0.00 C ATOM 535 O CYS A 870 3.242 14.080 -8.110 1.00 0.00 O ATOM 536 CB CYS A 870 3.550 11.209 -7.120 1.00 0.00 C ATOM 537 SG CYS A 870 5.253 10.809 -7.663 1.00 0.00 S ATOM 0 H CYS A 870 1.339 12.097 -6.603 1.00 0.00 H new ATOM 0 HA CYS A 870 3.906 12.430 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.183 10.377 -6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 870 2.918 11.265 -8.006 1.00 0.00 H new ATOM 0 HG CYS A 870 5.209 9.920 -8.611 1.00 0.00 H new ATOM 542 N PRO A 871 4.933 14.356 -6.676 1.00 0.00 N ATOM 543 CA PRO A 871 5.519 15.454 -7.428 1.00 0.00 C ATOM 544 C PRO A 871 6.228 14.970 -8.701 1.00 0.00 C ATOM 545 O PRO A 871 6.731 15.779 -9.482 1.00 0.00 O ATOM 546 CB PRO A 871 6.525 16.090 -6.454 1.00 0.00 C ATOM 547 CG PRO A 871 6.204 15.498 -5.123 1.00 0.00 C ATOM 548 CD PRO A 871 5.630 14.141 -5.399 1.00 0.00 C ATOM 0 HA PRO A 871 4.758 16.155 -7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.551 15.869 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.425 17.175 -6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 871 7.098 15.424 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.491 16.120 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.405 13.379 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.948 13.819 -4.612 1.00 0.00 H new ATOM 556 N GLY A 872 6.269 13.666 -8.902 1.00 0.00 N ATOM 557 CA GLY A 872 6.888 13.129 -10.077 1.00 0.00 C ATOM 558 C GLY A 872 6.013 13.296 -11.307 1.00 0.00 C ATOM 559 O GLY A 872 6.428 13.904 -12.307 1.00 0.00 O ATOM 0 H GLY A 872 5.881 12.971 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 872 7.844 13.625 -10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.100 12.071 -9.924 1.00 0.00 H new ATOM 563 N CYS A 873 4.818 12.776 -11.239 1.00 0.00 N ATOM 564 CA CYS A 873 3.895 12.793 -12.339 1.00 0.00 C ATOM 565 C CYS A 873 2.770 13.803 -12.106 1.00 0.00 C ATOM 566 O CYS A 873 2.227 14.391 -13.060 1.00 0.00 O ATOM 567 CB CYS A 873 3.321 11.422 -12.331 1.00 0.00 C ATOM 568 SG CYS A 873 2.995 10.916 -10.625 1.00 0.00 S ATOM 0 H CYS A 873 4.453 12.321 -10.403 1.00 0.00 H new ATOM 0 HA CYS A 873 4.380 13.071 -13.275 1.00 0.00 H new ATOM 0 HB2 CYS A 873 2.399 11.399 -12.911 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.012 10.724 -12.803 1.00 0.00 H new ATOM 0 HG CYS A 873 2.694 9.652 -10.597 1.00 0.00 H new ATOM 573 N ASN A 874 2.464 13.979 -10.820 1.00 0.00 N ATOM 574 CA ASN A 874 1.343 14.756 -10.289 1.00 0.00 C ATOM 575 C ASN A 874 0.092 13.911 -10.273 1.00 0.00 C ATOM 576 O ASN A 874 -1.044 14.390 -10.419 1.00 0.00 O ATOM 577 CB ASN A 874 1.166 16.147 -10.923 1.00 0.00 C ATOM 578 CG ASN A 874 2.356 17.065 -10.648 1.00 0.00 C ATOM 579 OD1 ASN A 874 3.044 16.866 -9.532 1.00 0.00 O flip ATOM 580 ND2 ASN A 874 2.674 17.942 -11.450 1.00 0.00 N flip ATOM 0 H ASN A 874 3.024 13.559 -10.078 1.00 0.00 H new ATOM 0 HA ASN A 874 1.583 15.008 -9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 874 1.034 16.039 -12.000 1.00 0.00 H new ATOM 0 HB3 ASN A 874 0.257 16.608 -10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 874 2.129 18.076 -12.302 1.00 0.00 H new ATOM 0 HD22 ASN A 874 3.483 18.535 -11.263 1.00 0.00 H new ATOM 587 N LYS A 875 0.328 12.633 -10.061 1.00 0.00 N ATOM 588 CA LYS A 875 -0.680 11.639 -9.881 1.00 0.00 C ATOM 589 C LYS A 875 -0.818 11.311 -8.385 1.00 0.00 C ATOM 590 O LYS A 875 0.179 11.223 -7.670 1.00 0.00 O ATOM 591 CB LYS A 875 -0.299 10.405 -10.695 1.00 0.00 C ATOM 592 CG LYS A 875 -0.997 9.112 -10.329 1.00 0.00 C ATOM 593 CD LYS A 875 -0.433 7.946 -11.115 1.00 0.00 C ATOM 594 CE LYS A 875 -0.767 8.052 -12.593 1.00 0.00 C ATOM 595 NZ LYS A 875 -0.286 6.888 -13.359 1.00 0.00 N ATOM 0 H LYS A 875 1.274 12.254 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.647 12.002 -10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.498 10.615 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.776 10.251 -10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.884 8.924 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -2.065 9.204 -10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 875 0.649 7.911 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.831 7.012 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -1.846 8.143 -12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.323 8.961 -13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.537 7.005 -14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.747 6.815 -13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.729 6.022 -12.990 1.00 0.00 H new ATOM 609 N PRO A 876 -2.053 11.153 -7.917 1.00 0.00 N ATOM 610 CA PRO A 876 -2.369 10.854 -6.506 1.00 0.00 C ATOM 611 C PRO A 876 -2.044 9.405 -6.111 1.00 0.00 C ATOM 612 O PRO A 876 -1.556 8.602 -6.941 1.00 0.00 O ATOM 613 CB PRO A 876 -3.885 11.070 -6.444 1.00 0.00 C ATOM 614 CG PRO A 876 -4.369 10.826 -7.825 1.00 0.00 C ATOM 615 CD PRO A 876 -3.262 11.254 -8.740 1.00 0.00 C ATOM 0 HA PRO A 876 -1.786 11.474 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.352 10.385 -5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.126 12.081 -6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.610 9.773 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.279 11.392 -8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -3.200 10.611 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.414 12.271 -9.100 1.00 0.00 H new ATOM 623 N ASP A 877 -2.281 9.068 -4.846 1.00 0.00 N ATOM 624 CA ASP A 877 -2.137 7.702 -4.398 1.00 0.00 C ATOM 625 C ASP A 877 -3.273 6.862 -4.955 1.00 0.00 C ATOM 626 O ASP A 877 -4.398 6.862 -4.475 1.00 0.00 O ATOM 627 CB ASP A 877 -1.961 7.557 -2.849 1.00 0.00 C ATOM 628 CG ASP A 877 -3.040 8.201 -1.983 1.00 0.00 C ATOM 629 OD1 ASP A 877 -2.941 9.408 -1.725 1.00 0.00 O ATOM 630 OD2 ASP A 877 -3.951 7.497 -1.490 1.00 0.00 O ATOM 0 H ASP A 877 -2.572 9.725 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.198 7.319 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.917 6.495 -2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.998 7.987 -2.572 1.00 0.00 H new ATOM 635 N ASP A 878 -2.967 6.230 -6.056 1.00 0.00 N ATOM 636 CA ASP A 878 -3.910 5.396 -6.792 1.00 0.00 C ATOM 637 C ASP A 878 -3.844 3.962 -6.298 1.00 0.00 C ATOM 638 O ASP A 878 -4.773 3.172 -6.472 1.00 0.00 O ATOM 639 CB ASP A 878 -3.565 5.461 -8.289 1.00 0.00 C ATOM 640 CG ASP A 878 -4.482 4.641 -9.174 1.00 0.00 C ATOM 641 OD1 ASP A 878 -5.596 5.103 -9.487 1.00 0.00 O ATOM 642 OD2 ASP A 878 -4.077 3.569 -9.623 1.00 0.00 O ATOM 0 H ASP A 878 -2.042 6.274 -6.483 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.924 5.762 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.600 6.501 -8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.540 5.117 -8.429 1.00 0.00 H new ATOM 647 N GLY A 879 -2.773 3.658 -5.622 1.00 0.00 N ATOM 648 CA GLY A 879 -2.542 2.308 -5.174 1.00 0.00 C ATOM 649 C GLY A 879 -1.252 1.767 -5.730 1.00 0.00 C ATOM 650 O GLY A 879 -1.098 0.563 -5.937 1.00 0.00 O ATOM 0 H GLY A 879 -2.044 4.324 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.511 2.283 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.371 1.672 -5.484 1.00 0.00 H new ATOM 654 N SER A 880 -0.335 2.665 -6.008 1.00 0.00 N ATOM 655 CA SER A 880 0.960 2.312 -6.498 1.00 0.00 C ATOM 656 C SER A 880 1.952 2.455 -5.368 1.00 0.00 C ATOM 657 O SER A 880 1.725 3.260 -4.463 1.00 0.00 O ATOM 658 CB SER A 880 1.361 3.248 -7.619 1.00 0.00 C ATOM 659 OG SER A 880 0.394 3.258 -8.638 1.00 0.00 O ATOM 0 H SER A 880 -0.477 3.669 -5.896 1.00 0.00 H new ATOM 0 HA SER A 880 0.944 1.288 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.491 4.256 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 880 2.323 2.939 -8.029 1.00 0.00 H new ATOM 0 HG SER A 880 0.675 3.871 -9.349 1.00 0.00 H new ATOM 665 N PRO A 881 3.045 1.695 -5.389 1.00 0.00 N ATOM 666 CA PRO A 881 4.072 1.784 -4.370 1.00 0.00 C ATOM 667 C PRO A 881 4.724 3.167 -4.347 1.00 0.00 C ATOM 668 O PRO A 881 5.161 3.699 -5.394 1.00 0.00 O ATOM 669 CB PRO A 881 5.066 0.696 -4.765 1.00 0.00 C ATOM 670 CG PRO A 881 4.289 -0.217 -5.630 1.00 0.00 C ATOM 671 CD PRO A 881 3.377 0.676 -6.392 1.00 0.00 C ATOM 0 HA PRO A 881 3.679 1.646 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.922 1.114 -5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 881 5.456 0.177 -3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.940 -0.781 -6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.731 -0.944 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.864 1.107 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.492 0.149 -6.747 1.00 0.00 H new ATOM 679 N MET A 882 4.729 3.760 -3.179 1.00 0.00 N ATOM 680 CA MET A 882 5.260 5.085 -2.967 1.00 0.00 C ATOM 681 C MET A 882 6.329 5.014 -1.914 1.00 0.00 C ATOM 682 O MET A 882 6.319 4.106 -1.066 1.00 0.00 O ATOM 683 CB MET A 882 4.168 6.066 -2.491 1.00 0.00 C ATOM 684 CG MET A 882 2.908 6.042 -3.321 1.00 0.00 C ATOM 685 SD MET A 882 1.696 7.304 -2.874 1.00 0.00 S ATOM 686 CE MET A 882 2.508 8.798 -3.447 1.00 0.00 C ATOM 0 H MET A 882 4.357 3.328 -2.333 1.00 0.00 H new ATOM 0 HA MET A 882 5.660 5.447 -3.914 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.913 5.834 -1.457 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.575 7.077 -2.499 1.00 0.00 H new ATOM 0 HG2 MET A 882 3.176 6.168 -4.370 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.444 5.060 -3.227 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.536 9.530 -2.639 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.526 8.562 -3.759 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.956 9.211 -4.292 1.00 0.00 H new ATOM 696 N ILE A 883 7.235 5.933 -1.959 1.00 0.00 N ATOM 697 CA ILE A 883 8.291 6.012 -1.002 1.00 0.00 C ATOM 698 C ILE A 883 8.316 7.423 -0.436 1.00 0.00 C ATOM 699 O ILE A 883 8.062 8.399 -1.167 1.00 0.00 O ATOM 700 CB ILE A 883 9.669 5.619 -1.634 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.774 5.556 -0.573 1.00 0.00 C ATOM 702 CG2 ILE A 883 10.061 6.593 -2.750 1.00 0.00 C ATOM 703 CD1 ILE A 883 12.061 4.954 -1.087 1.00 0.00 C ATOM 0 H ILE A 883 7.264 6.662 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 883 8.112 5.299 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 883 9.555 4.625 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.973 6.563 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.420 4.971 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 883 11.022 6.296 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.301 6.576 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 883 10.139 7.601 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.801 4.939 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.875 3.936 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.437 5.552 -1.917 1.00 0.00 H new ATOM 715 N GLY A 884 8.498 7.524 0.849 1.00 0.00 N ATOM 716 CA GLY A 884 8.577 8.805 1.467 1.00 0.00 C ATOM 717 C GLY A 884 10.002 9.232 1.632 1.00 0.00 C ATOM 718 O GLY A 884 10.859 8.407 1.981 1.00 0.00 O ATOM 0 H GLY A 884 8.594 6.732 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 884 8.041 9.538 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.087 8.774 2.440 1.00 0.00 H new ATOM 722 N CYS A 885 10.269 10.490 1.348 1.00 0.00 N ATOM 723 CA CYS A 885 11.579 11.045 1.530 1.00 0.00 C ATOM 724 C CYS A 885 11.796 11.292 3.004 1.00 0.00 C ATOM 725 O CYS A 885 10.866 11.695 3.728 1.00 0.00 O ATOM 726 CB CYS A 885 11.738 12.343 0.706 1.00 0.00 C ATOM 727 SG CYS A 885 13.349 13.231 0.888 1.00 0.00 S ATOM 0 H CYS A 885 9.580 11.149 0.986 1.00 0.00 H new ATOM 0 HA CYS A 885 12.335 10.346 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.598 12.100 -0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.936 13.027 0.985 1.00 0.00 H new ATOM 0 HG CYS A 885 13.421 14.184 0.007 1.00 0.00 H new ATOM 732 N ASP A 886 12.997 11.043 3.442 1.00 0.00 N ATOM 733 CA ASP A 886 13.348 11.185 4.823 1.00 0.00 C ATOM 734 C ASP A 886 13.752 12.591 5.158 1.00 0.00 C ATOM 735 O ASP A 886 13.857 12.940 6.339 1.00 0.00 O ATOM 736 CB ASP A 886 14.468 10.223 5.220 1.00 0.00 C ATOM 737 CG ASP A 886 14.022 8.790 5.344 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.263 8.468 6.287 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.449 7.943 4.542 1.00 0.00 O ATOM 0 H ASP A 886 13.764 10.734 2.845 1.00 0.00 H new ATOM 0 HA ASP A 886 12.452 10.938 5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.265 10.283 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 886 14.891 10.546 6.171 1.00 0.00 H new ATOM 744 N ASP A 887 13.981 13.417 4.157 1.00 0.00 N ATOM 745 CA ASP A 887 14.433 14.774 4.440 1.00 0.00 C ATOM 746 C ASP A 887 13.246 15.673 4.589 1.00 0.00 C ATOM 747 O ASP A 887 13.078 16.328 5.627 1.00 0.00 O ATOM 748 CB ASP A 887 15.373 15.326 3.370 1.00 0.00 C ATOM 749 CG ASP A 887 15.981 16.663 3.767 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.329 17.711 3.594 1.00 0.00 O ATOM 751 OD2 ASP A 887 17.132 16.694 4.252 1.00 0.00 O ATOM 0 H ASP A 887 13.868 13.188 3.169 1.00 0.00 H new ATOM 0 HA ASP A 887 15.003 14.737 5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.171 14.607 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.826 15.442 2.434 1.00 0.00 H new ATOM 756 N CYS A 888 12.406 15.690 3.575 1.00 0.00 N ATOM 757 CA CYS A 888 11.222 16.493 3.623 1.00 0.00 C ATOM 758 C CYS A 888 10.113 15.757 4.368 1.00 0.00 C ATOM 759 O CYS A 888 9.976 15.925 5.580 1.00 0.00 O ATOM 760 CB CYS A 888 10.790 16.976 2.207 1.00 0.00 C ATOM 761 SG CYS A 888 10.608 15.683 0.918 1.00 0.00 S ATOM 0 H CYS A 888 12.528 15.156 2.715 1.00 0.00 H new ATOM 0 HA CYS A 888 11.441 17.401 4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.839 17.499 2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 888 11.522 17.705 1.858 1.00 0.00 H new ATOM 0 HG CYS A 888 11.666 14.928 0.908 1.00 0.00 H new ATOM 766 N ASP A 889 9.395 14.915 3.635 1.00 0.00 N ATOM 767 CA ASP A 889 8.267 14.050 4.139 1.00 0.00 C ATOM 768 C ASP A 889 7.373 13.685 2.953 1.00 0.00 C ATOM 769 O ASP A 889 6.349 13.021 3.099 1.00 0.00 O ATOM 770 CB ASP A 889 7.375 14.784 5.201 1.00 0.00 C ATOM 771 CG ASP A 889 6.382 13.870 5.928 1.00 0.00 C ATOM 772 OD1 ASP A 889 6.802 13.131 6.854 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.169 13.881 5.609 1.00 0.00 O ATOM 0 H ASP A 889 9.565 14.791 2.637 1.00 0.00 H new ATOM 0 HA ASP A 889 8.709 13.173 4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.023 15.257 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 889 6.821 15.581 4.705 1.00 0.00 H new ATOM 778 N ASP A 890 7.795 14.068 1.765 1.00 0.00 N ATOM 779 CA ASP A 890 6.959 13.957 0.604 1.00 0.00 C ATOM 780 C ASP A 890 6.946 12.515 0.121 1.00 0.00 C ATOM 781 O ASP A 890 7.839 11.723 0.471 1.00 0.00 O ATOM 782 CB ASP A 890 7.475 14.891 -0.486 1.00 0.00 C ATOM 783 CG ASP A 890 6.397 15.352 -1.426 1.00 0.00 C ATOM 784 OD1 ASP A 890 5.685 14.535 -1.969 1.00 0.00 O ATOM 785 OD2 ASP A 890 6.233 16.581 -1.581 1.00 0.00 O ATOM 0 H ASP A 890 8.719 14.460 1.586 1.00 0.00 H new ATOM 0 HA ASP A 890 5.938 14.246 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.940 15.761 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 890 8.252 14.381 -1.056 1.00 0.00 H new ATOM 790 N TRP A 891 5.987 12.192 -0.685 1.00 0.00 N ATOM 791 CA TRP A 891 5.775 10.849 -1.146 1.00 0.00 C ATOM 792 C TRP A 891 5.760 10.810 -2.649 1.00 0.00 C ATOM 793 O TRP A 891 4.930 11.451 -3.283 1.00 0.00 O ATOM 794 CB TRP A 891 4.454 10.264 -0.623 1.00 0.00 C ATOM 795 CG TRP A 891 4.421 9.949 0.833 1.00 0.00 C ATOM 796 CD1 TRP A 891 4.106 10.789 1.852 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.690 8.681 1.430 1.00 0.00 C ATOM 798 NE1 TRP A 891 4.171 10.123 3.046 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.532 8.830 2.816 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.055 7.437 0.920 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.723 7.780 3.701 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.247 6.393 1.797 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.080 6.572 3.175 1.00 0.00 C ATOM 0 H TRP A 891 5.313 12.864 -1.051 1.00 0.00 H new ATOM 0 HA TRP A 891 6.598 10.247 -0.761 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.653 10.970 -0.842 1.00 0.00 H new ATOM 0 HB3 TRP A 891 4.236 9.352 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.843 11.830 1.737 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.980 10.530 3.962 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.185 7.294 -0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.594 7.913 4.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.530 5.423 1.416 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.237 5.734 3.838 1.00 0.00 H new ATOM 814 N TYR A 892 6.648 10.051 -3.209 1.00 0.00 N ATOM 815 CA TYR A 892 6.734 9.903 -4.641 1.00 0.00 C ATOM 816 C TYR A 892 6.467 8.464 -4.970 1.00 0.00 C ATOM 817 O TYR A 892 6.636 7.590 -4.107 1.00 0.00 O ATOM 818 CB TYR A 892 8.141 10.239 -5.139 1.00 0.00 C ATOM 819 CG TYR A 892 8.628 11.652 -4.896 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.892 12.104 -3.615 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.875 12.513 -5.958 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.383 13.354 -3.394 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.364 13.782 -5.741 1.00 0.00 C ATOM 824 CZ TYR A 892 9.617 14.194 -4.453 1.00 0.00 C ATOM 825 OH TYR A 892 10.139 15.435 -4.218 1.00 0.00 O ATOM 0 H TYR A 892 7.340 9.511 -2.690 1.00 0.00 H new ATOM 0 HA TYR A 892 6.016 10.574 -5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.843 9.551 -4.667 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.178 10.046 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.705 11.452 -2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.681 12.183 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.588 13.684 -2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.547 14.446 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 892 10.689 15.410 -3.407 1.00 0.00 H new ATOM 835 N HIS A 893 6.053 8.192 -6.177 1.00 0.00 N ATOM 836 CA HIS A 893 5.885 6.812 -6.593 1.00 0.00 C ATOM 837 C HIS A 893 7.242 6.243 -6.975 1.00 0.00 C ATOM 838 O HIS A 893 8.166 6.987 -7.323 1.00 0.00 O ATOM 839 CB HIS A 893 4.897 6.635 -7.762 1.00 0.00 C ATOM 840 CG HIS A 893 3.487 7.062 -7.488 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.546 6.493 -6.700 1.00 0.00 N flip ATOM 842 CD2 HIS A 893 2.959 8.172 -8.089 1.00 0.00 C flip ATOM 843 CE1 HIS A 893 1.414 7.268 -6.804 1.00 0.00 C flip ATOM 844 NE2 HIS A 893 1.702 8.262 -7.643 1.00 0.00 N flip ATOM 0 H HIS A 893 5.827 8.890 -6.886 1.00 0.00 H new ATOM 0 HA HIS A 893 5.456 6.273 -5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.269 7.199 -8.617 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.890 5.584 -8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 893 3.455 8.837 -8.780 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.472 7.102 -6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 893 1.048 8.997 -7.911 1.00 0.00 H new ATOM 852 N TRP A 894 7.358 4.945 -6.911 1.00 0.00 N ATOM 853 CA TRP A 894 8.598 4.250 -7.218 1.00 0.00 C ATOM 854 C TRP A 894 9.092 4.484 -8.652 1.00 0.00 C ATOM 855 O TRP A 894 10.245 4.903 -8.831 1.00 0.00 O ATOM 856 CB TRP A 894 8.496 2.762 -6.922 1.00 0.00 C ATOM 857 CG TRP A 894 8.429 2.413 -5.479 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.387 3.264 -4.412 1.00 0.00 C ATOM 859 CD2 TRP A 894 8.415 1.102 -4.947 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.330 2.550 -3.249 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.343 1.216 -3.551 1.00 0.00 C ATOM 862 CE3 TRP A 894 8.447 -0.167 -5.521 1.00 0.00 C ATOM 863 CZ2 TRP A 894 8.300 0.108 -2.724 1.00 0.00 C ATOM 864 CZ3 TRP A 894 8.406 -1.264 -4.700 1.00 0.00 C ATOM 865 CH2 TRP A 894 8.330 -1.123 -3.315 1.00 0.00 C ATOM 0 H TRP A 894 6.593 4.326 -6.643 1.00 0.00 H new ATOM 0 HA TRP A 894 9.346 4.686 -6.556 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.609 2.368 -7.417 1.00 0.00 H new ATOM 0 HB3 TRP A 894 9.357 2.259 -7.363 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.397 4.342 -4.478 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.285 2.946 -2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.503 -0.284 -6.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 8.245 0.212 -1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 8.433 -2.253 -5.133 1.00 0.00 H new ATOM 0 HH2 TRP A 894 8.294 -2.007 -2.696 1.00 0.00 H new ATOM 876 N PRO A 895 8.251 4.245 -9.712 1.00 0.00 N ATOM 877 CA PRO A 895 8.679 4.441 -11.107 1.00 0.00 C ATOM 878 C PRO A 895 9.010 5.906 -11.422 1.00 0.00 C ATOM 879 O PRO A 895 9.720 6.212 -12.381 1.00 0.00 O ATOM 880 CB PRO A 895 7.464 3.977 -11.930 1.00 0.00 C ATOM 881 CG PRO A 895 6.311 4.089 -11.001 1.00 0.00 C ATOM 882 CD PRO A 895 6.853 3.734 -9.659 1.00 0.00 C ATOM 0 HA PRO A 895 9.594 3.891 -11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.323 4.601 -12.813 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.592 2.953 -12.280 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.899 5.098 -11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.505 3.415 -11.291 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.283 4.203 -8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.823 2.659 -9.484 1.00 0.00 H new ATOM 890 N CYS A 896 8.531 6.790 -10.581 1.00 0.00 N ATOM 891 CA CYS A 896 8.704 8.198 -10.763 1.00 0.00 C ATOM 892 C CYS A 896 10.094 8.652 -10.307 1.00 0.00 C ATOM 893 O CYS A 896 10.638 9.628 -10.826 1.00 0.00 O ATOM 894 CB CYS A 896 7.616 8.907 -9.978 1.00 0.00 C ATOM 895 SG CYS A 896 5.955 8.315 -10.384 1.00 0.00 S ATOM 0 H CYS A 896 8.005 6.542 -9.743 1.00 0.00 H new ATOM 0 HA CYS A 896 8.626 8.446 -11.822 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.795 8.768 -8.912 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.673 9.978 -10.174 1.00 0.00 H new ATOM 0 HG CYS A 896 5.148 9.328 -10.495 1.00 0.00 H new ATOM 900 N VAL A 897 10.660 7.948 -9.349 1.00 0.00 N ATOM 901 CA VAL A 897 11.973 8.306 -8.824 1.00 0.00 C ATOM 902 C VAL A 897 13.059 7.295 -9.184 1.00 0.00 C ATOM 903 O VAL A 897 14.249 7.608 -9.139 1.00 0.00 O ATOM 904 CB VAL A 897 11.952 8.538 -7.299 1.00 0.00 C ATOM 905 CG1 VAL A 897 11.131 9.769 -6.972 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.393 7.323 -6.568 1.00 0.00 C ATOM 0 H VAL A 897 10.238 7.127 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 897 12.225 9.247 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 897 12.977 8.693 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 897 11.122 9.924 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.570 10.639 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 897 10.110 9.630 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.390 7.514 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.374 7.132 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 897 12.015 6.453 -6.780 1.00 0.00 H new ATOM 916 N GLY A 898 12.660 6.094 -9.524 1.00 0.00 N ATOM 917 CA GLY A 898 13.628 5.090 -9.893 1.00 0.00 C ATOM 918 C GLY A 898 13.827 4.059 -8.808 1.00 0.00 C ATOM 919 O GLY A 898 14.918 3.502 -8.654 1.00 0.00 O ATOM 0 H GLY A 898 11.687 5.790 -9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.303 4.594 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.581 5.571 -10.113 1.00 0.00 H new ATOM 923 N ILE A 899 12.795 3.824 -8.039 1.00 0.00 N ATOM 924 CA ILE A 899 12.829 2.810 -7.003 1.00 0.00 C ATOM 925 C ILE A 899 12.151 1.555 -7.564 1.00 0.00 C ATOM 926 O ILE A 899 11.048 1.632 -8.099 1.00 0.00 O ATOM 927 CB ILE A 899 12.105 3.299 -5.699 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.868 4.462 -5.030 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.912 2.159 -4.698 1.00 0.00 C ATOM 930 CD1 ILE A 899 14.166 4.078 -4.365 1.00 0.00 C ATOM 0 H ILE A 899 11.909 4.325 -8.108 1.00 0.00 H new ATOM 0 HA ILE A 899 13.861 2.596 -6.725 1.00 0.00 H new ATOM 0 HB ILE A 899 11.122 3.659 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 899 13.075 5.221 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 899 12.218 4.921 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.408 2.537 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 899 11.307 1.374 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.884 1.752 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.625 4.963 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.971 3.344 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.841 3.649 -5.105 1.00 0.00 H new ATOM 942 N MET A 900 12.829 0.433 -7.519 1.00 0.00 N ATOM 943 CA MET A 900 12.261 -0.811 -8.037 1.00 0.00 C ATOM 944 C MET A 900 11.920 -1.780 -6.919 1.00 0.00 C ATOM 945 O MET A 900 11.038 -2.641 -7.073 1.00 0.00 O ATOM 946 CB MET A 900 13.163 -1.465 -9.111 1.00 0.00 C ATOM 947 CG MET A 900 14.592 -1.769 -8.676 1.00 0.00 C ATOM 948 SD MET A 900 15.562 -2.543 -9.993 1.00 0.00 S ATOM 949 CE MET A 900 17.177 -2.631 -9.213 1.00 0.00 C ATOM 0 H MET A 900 13.769 0.345 -7.134 1.00 0.00 H new ATOM 0 HA MET A 900 11.327 -0.548 -8.533 1.00 0.00 H new ATOM 0 HB2 MET A 900 12.695 -2.395 -9.435 1.00 0.00 H new ATOM 0 HB3 MET A 900 13.199 -0.807 -9.979 1.00 0.00 H new ATOM 0 HG2 MET A 900 15.079 -0.845 -8.365 1.00 0.00 H new ATOM 0 HG3 MET A 900 14.573 -2.427 -7.807 1.00 0.00 H new ATOM 0 HE1 MET A 900 17.889 -3.087 -9.901 1.00 0.00 H new ATOM 0 HE2 MET A 900 17.512 -1.626 -8.956 1.00 0.00 H new ATOM 0 HE3 MET A 900 17.111 -3.234 -8.307 1.00 0.00 H new ATOM 959 N ALA A 901 12.608 -1.648 -5.810 1.00 0.00 N ATOM 960 CA ALA A 901 12.338 -2.447 -4.642 1.00 0.00 C ATOM 961 C ALA A 901 12.443 -1.567 -3.430 1.00 0.00 C ATOM 962 O ALA A 901 13.269 -0.639 -3.404 1.00 0.00 O ATOM 963 CB ALA A 901 13.291 -3.622 -4.539 1.00 0.00 C ATOM 0 H ALA A 901 13.372 -0.982 -5.693 1.00 0.00 H new ATOM 0 HA ALA A 901 11.333 -2.862 -4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 901 13.058 -4.202 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 901 13.186 -4.254 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 901 14.315 -3.255 -4.476 1.00 0.00 H new ATOM 969 N ALA A 902 11.629 -1.839 -2.453 1.00 0.00 N ATOM 970 CA ALA A 902 11.564 -1.043 -1.254 1.00 0.00 C ATOM 971 C ALA A 902 12.831 -1.172 -0.425 1.00 0.00 C ATOM 972 O ALA A 902 13.244 -2.288 -0.092 1.00 0.00 O ATOM 973 CB ALA A 902 10.376 -1.471 -0.415 1.00 0.00 C ATOM 0 H ALA A 902 10.982 -2.628 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 902 11.456 -0.001 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.333 -0.865 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.458 -1.335 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.482 -2.521 -0.144 1.00 0.00 H new ATOM 979 N PRO A 903 13.486 -0.055 -0.099 1.00 0.00 N ATOM 980 CA PRO A 903 14.589 -0.086 0.811 1.00 0.00 C ATOM 981 C PRO A 903 14.026 -0.112 2.231 1.00 0.00 C ATOM 982 O PRO A 903 12.875 0.291 2.444 1.00 0.00 O ATOM 983 CB PRO A 903 15.358 1.217 0.542 1.00 0.00 C ATOM 984 CG PRO A 903 14.463 2.079 -0.286 1.00 0.00 C ATOM 985 CD PRO A 903 13.192 1.308 -0.567 1.00 0.00 C ATOM 0 HA PRO A 903 15.239 -0.953 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.617 1.714 1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 903 16.293 1.014 0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.237 3.007 0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.956 2.353 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.341 1.736 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.945 1.320 -1.629 1.00 0.00 H new ATOM 993 N PRO A 904 14.778 -0.588 3.206 1.00 0.00 N ATOM 994 CA PRO A 904 14.285 -0.700 4.577 1.00 0.00 C ATOM 995 C PRO A 904 14.129 0.672 5.225 1.00 0.00 C ATOM 996 O PRO A 904 14.701 1.654 4.745 1.00 0.00 O ATOM 997 CB PRO A 904 15.380 -1.479 5.276 1.00 0.00 C ATOM 998 CG PRO A 904 16.614 -1.161 4.510 1.00 0.00 C ATOM 999 CD PRO A 904 16.177 -1.021 3.079 1.00 0.00 C ATOM 0 HA PRO A 904 13.304 -1.173 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 904 15.474 -1.181 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.173 -2.549 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.073 -0.241 4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.357 -1.952 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.780 -0.289 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.261 -1.963 2.536 1.00 0.00 H new ATOM 1007 N GLU A 905 13.400 0.746 6.321 1.00 0.00 N ATOM 1008 CA GLU A 905 13.196 2.028 6.974 1.00 0.00 C ATOM 1009 C GLU A 905 14.451 2.448 7.740 1.00 0.00 C ATOM 1010 O GLU A 905 14.633 3.618 8.058 1.00 0.00 O ATOM 1011 CB GLU A 905 11.966 2.032 7.877 1.00 0.00 C ATOM 1012 CG GLU A 905 12.057 1.137 9.093 1.00 0.00 C ATOM 1013 CD GLU A 905 10.865 1.310 9.983 1.00 0.00 C ATOM 1014 OE1 GLU A 905 10.751 2.365 10.635 1.00 0.00 O ATOM 1015 OE2 GLU A 905 9.989 0.423 10.012 1.00 0.00 O ATOM 0 H GLU A 905 12.946 -0.048 6.773 1.00 0.00 H new ATOM 0 HA GLU A 905 13.008 2.763 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.783 3.054 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 905 11.101 1.730 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 905 12.130 0.096 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 905 12.966 1.366 9.649 1.00 0.00 H new ATOM 1022 N GLU A 906 15.333 1.477 8.001 1.00 0.00 N ATOM 1023 CA GLU A 906 16.616 1.748 8.649 1.00 0.00 C ATOM 1024 C GLU A 906 17.560 2.426 7.654 1.00 0.00 C ATOM 1025 O GLU A 906 18.629 2.917 8.014 1.00 0.00 O ATOM 1026 CB GLU A 906 17.247 0.461 9.185 1.00 0.00 C ATOM 1027 CG GLU A 906 17.498 -0.581 8.119 1.00 0.00 C ATOM 1028 CD GLU A 906 18.190 -1.799 8.631 1.00 0.00 C ATOM 1029 OE1 GLU A 906 19.428 -1.805 8.698 1.00 0.00 O ATOM 1030 OE2 GLU A 906 17.504 -2.785 8.983 1.00 0.00 O ATOM 0 H GLU A 906 15.179 0.495 7.772 1.00 0.00 H new ATOM 0 HA GLU A 906 16.443 2.412 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 906 18.191 0.705 9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 906 16.595 0.037 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 906 16.546 -0.873 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 906 18.098 -0.139 7.324 1.00 0.00 H new ATOM 1037 N MET A 907 17.169 2.406 6.399 1.00 0.00 N ATOM 1038 CA MET A 907 17.883 3.102 5.367 1.00 0.00 C ATOM 1039 C MET A 907 17.130 4.365 5.044 1.00 0.00 C ATOM 1040 O MET A 907 15.887 4.370 4.991 1.00 0.00 O ATOM 1041 CB MET A 907 18.021 2.233 4.112 1.00 0.00 C ATOM 1042 CG MET A 907 18.667 2.927 2.911 1.00 0.00 C ATOM 1043 SD MET A 907 20.335 3.538 3.241 1.00 0.00 S ATOM 1044 CE MET A 907 20.707 4.315 1.664 1.00 0.00 C ATOM 0 H MET A 907 16.344 1.904 6.071 1.00 0.00 H new ATOM 0 HA MET A 907 18.889 3.338 5.715 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.610 1.351 4.363 1.00 0.00 H new ATOM 0 HB3 MET A 907 17.031 1.883 3.820 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.703 2.229 2.075 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.038 3.762 2.602 1.00 0.00 H new ATOM 0 HE1 MET A 907 21.388 5.151 1.822 1.00 0.00 H new ATOM 0 HE2 MET A 907 21.175 3.587 1.001 1.00 0.00 H new ATOM 0 HE3 MET A 907 19.785 4.678 1.211 1.00 0.00 H new ATOM 1054 N GLN A 908 17.847 5.417 4.860 1.00 0.00 N ATOM 1055 CA GLN A 908 17.237 6.660 4.503 1.00 0.00 C ATOM 1056 C GLN A 908 17.258 6.836 3.022 1.00 0.00 C ATOM 1057 O GLN A 908 18.104 6.277 2.324 1.00 0.00 O ATOM 1058 CB GLN A 908 17.876 7.867 5.182 1.00 0.00 C ATOM 1059 CG GLN A 908 17.627 7.955 6.673 1.00 0.00 C ATOM 1060 CD GLN A 908 18.134 9.255 7.256 1.00 0.00 C ATOM 1061 OE1 GLN A 908 17.304 10.258 7.241 1.00 0.00 O flip ATOM 1062 NE2 GLN A 908 19.277 9.355 7.692 1.00 0.00 N flip ATOM 0 H GLN A 908 18.863 5.447 4.950 1.00 0.00 H new ATOM 0 HA GLN A 908 16.208 6.612 4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.952 7.839 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.500 8.775 4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.559 7.862 6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.116 7.119 7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 908 19.898 8.546 7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 908 19.606 10.248 8.060 1.00 0.00 H new ATOM 1071 N TRP A 909 16.344 7.587 2.555 1.00 0.00 N ATOM 1072 CA TRP A 909 16.216 7.872 1.165 1.00 0.00 C ATOM 1073 C TRP A 909 15.740 9.283 1.032 1.00 0.00 C ATOM 1074 O TRP A 909 14.955 9.760 1.856 1.00 0.00 O ATOM 1075 CB TRP A 909 15.242 6.892 0.489 1.00 0.00 C ATOM 1076 CG TRP A 909 15.049 7.125 -0.984 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.802 6.625 -2.005 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.028 7.923 -1.588 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.302 7.065 -3.213 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.209 7.862 -2.975 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.975 8.683 -1.075 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.372 8.534 -3.859 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.152 9.348 -1.946 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.350 9.270 -3.324 1.00 0.00 C ATOM 0 H TRP A 909 15.638 8.039 3.136 1.00 0.00 H new ATOM 0 HA TRP A 909 17.178 7.753 0.666 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.606 5.876 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.274 6.961 0.985 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.661 5.981 -1.886 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.681 6.836 -4.132 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.812 8.746 -0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.523 8.477 -4.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.337 9.942 -1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.681 9.803 -3.984 1.00 0.00 H new ATOM 1095 N PHE A 910 16.218 9.948 0.030 1.00 0.00 N ATOM 1096 CA PHE A 910 15.909 11.319 -0.183 1.00 0.00 C ATOM 1097 C PHE A 910 15.538 11.481 -1.625 1.00 0.00 C ATOM 1098 O PHE A 910 16.200 10.900 -2.507 1.00 0.00 O ATOM 1099 CB PHE A 910 17.119 12.195 0.181 1.00 0.00 C ATOM 1100 CG PHE A 910 17.627 11.934 1.572 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.883 12.311 2.665 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.832 11.281 1.782 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.315 12.051 3.942 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.275 11.020 3.062 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.509 11.404 4.143 1.00 0.00 C ATOM 0 H PHE A 910 16.841 9.546 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 910 15.079 11.634 0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.921 12.014 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.842 13.245 0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.942 12.821 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.429 10.974 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.716 12.355 4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 910 20.218 10.517 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.848 11.196 5.147 1.00 0.00 H new ATOM 1115 N CYS A 911 14.477 12.207 -1.869 1.00 0.00 N ATOM 1116 CA CYS A 911 13.978 12.406 -3.204 1.00 0.00 C ATOM 1117 C CYS A 911 14.976 13.197 -4.062 1.00 0.00 C ATOM 1118 O CYS A 911 15.847 13.871 -3.518 1.00 0.00 O ATOM 1119 CB CYS A 911 12.589 13.082 -3.157 1.00 0.00 C ATOM 1120 SG CYS A 911 12.475 14.743 -2.389 1.00 0.00 S ATOM 0 H CYS A 911 13.934 12.678 -1.145 1.00 0.00 H new ATOM 0 HA CYS A 911 13.861 11.433 -3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.219 13.159 -4.179 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.911 12.418 -2.622 1.00 0.00 H new ATOM 0 HG CYS A 911 11.772 14.669 -1.298 1.00 0.00 H new ATOM 1125 N PRO A 912 14.870 13.124 -5.415 1.00 0.00 N ATOM 1126 CA PRO A 912 15.760 13.845 -6.346 1.00 0.00 C ATOM 1127 C PRO A 912 15.858 15.367 -6.073 1.00 0.00 C ATOM 1128 O PRO A 912 16.768 16.026 -6.561 1.00 0.00 O ATOM 1129 CB PRO A 912 15.144 13.577 -7.729 1.00 0.00 C ATOM 1130 CG PRO A 912 13.794 13.006 -7.454 1.00 0.00 C ATOM 1131 CD PRO A 912 13.921 12.283 -6.158 1.00 0.00 C ATOM 0 HA PRO A 912 16.788 13.496 -6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.072 14.495 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.756 12.882 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.041 13.792 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.485 12.330 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.963 12.201 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.298 11.269 -6.294 1.00 0.00 H new ATOM 1139 N LYS A 913 14.923 15.909 -5.301 1.00 0.00 N ATOM 1140 CA LYS A 913 14.991 17.303 -4.896 1.00 0.00 C ATOM 1141 C LYS A 913 15.919 17.425 -3.692 1.00 0.00 C ATOM 1142 O LYS A 913 16.899 18.182 -3.708 1.00 0.00 O ATOM 1143 CB LYS A 913 13.609 17.846 -4.504 1.00 0.00 C ATOM 1144 CG LYS A 913 12.583 17.920 -5.622 1.00 0.00 C ATOM 1145 CD LYS A 913 11.264 18.454 -5.082 1.00 0.00 C ATOM 1146 CE LYS A 913 10.201 18.596 -6.160 1.00 0.00 C ATOM 1147 NZ LYS A 913 10.544 19.631 -7.167 1.00 0.00 N ATOM 0 H LYS A 913 14.112 15.403 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 913 15.364 17.883 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.206 17.219 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.737 18.845 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 913 12.948 18.567 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.434 16.931 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 913 10.898 17.785 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.434 19.424 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 913 10.067 17.637 -6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 913 9.248 18.849 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 9.751 19.747 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 10.729 20.535 -6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 11.393 19.337 -7.692 1.00 0.00 H new ATOM 1161 N CYS A 914 15.640 16.629 -2.682 1.00 0.00 N ATOM 1162 CA CYS A 914 16.365 16.668 -1.438 1.00 0.00 C ATOM 1163 C CYS A 914 17.763 16.088 -1.528 1.00 0.00 C ATOM 1164 O CYS A 914 18.687 16.616 -0.938 1.00 0.00 O ATOM 1165 CB CYS A 914 15.553 16.002 -0.343 1.00 0.00 C ATOM 1166 SG CYS A 914 14.057 16.928 0.097 1.00 0.00 S ATOM 0 H CYS A 914 14.896 15.932 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 914 16.509 17.719 -1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.271 15.000 -0.667 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.176 15.887 0.544 1.00 0.00 H new ATOM 0 HG CYS A 914 13.049 16.473 -0.586 1.00 0.00 H new ATOM 1171 N ALA A 915 17.918 15.041 -2.280 1.00 0.00 N ATOM 1172 CA ALA A 915 19.206 14.404 -2.427 1.00 0.00 C ATOM 1173 C ALA A 915 20.164 15.288 -3.214 1.00 0.00 C ATOM 1174 O ALA A 915 21.373 15.243 -3.020 1.00 0.00 O ATOM 1175 CB ALA A 915 19.048 13.054 -3.092 1.00 0.00 C ATOM 0 H ALA A 915 17.165 14.601 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 915 19.632 14.254 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.026 12.584 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.404 12.421 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.600 13.184 -4.077 1.00 0.00 H new ATOM 1181 N ASN A 916 19.603 16.122 -4.056 1.00 0.00 N ATOM 1182 CA ASN A 916 20.376 17.004 -4.920 1.00 0.00 C ATOM 1183 C ASN A 916 20.915 18.196 -4.144 1.00 0.00 C ATOM 1184 O ASN A 916 22.087 18.548 -4.266 1.00 0.00 O ATOM 1185 CB ASN A 916 19.502 17.480 -6.083 1.00 0.00 C ATOM 1186 CG ASN A 916 20.211 18.407 -7.053 1.00 0.00 C ATOM 1187 OD1 ASN A 916 20.850 17.950 -8.003 1.00 0.00 O ATOM 1188 ND2 ASN A 916 20.072 19.697 -6.858 1.00 0.00 N ATOM 0 H ASN A 916 18.593 16.214 -4.167 1.00 0.00 H new ATOM 0 HA ASN A 916 21.227 16.447 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.138 16.610 -6.629 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.628 17.992 -5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 916 20.500 20.360 -7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 916 19.536 20.037 -6.060 1.00 0.00 H new ATOM 1195 N LYS A 917 20.071 18.761 -3.285 1.00 0.00 N ATOM 1196 CA LYS A 917 20.399 19.983 -2.530 1.00 0.00 C ATOM 1197 C LYS A 917 21.532 19.738 -1.519 1.00 0.00 C ATOM 1198 O LYS A 917 22.151 20.690 -1.031 1.00 0.00 O ATOM 1199 CB LYS A 917 19.146 20.513 -1.805 1.00 0.00 C ATOM 1200 CG LYS A 917 18.709 19.647 -0.644 1.00 0.00 C ATOM 1201 CD LYS A 917 17.312 19.972 -0.146 1.00 0.00 C ATOM 1202 CE LYS A 917 16.976 19.104 1.059 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.537 19.101 1.387 1.00 0.00 N ATOM 0 H LYS A 917 19.141 18.392 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 917 20.745 20.731 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 917 19.346 21.521 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 917 18.327 20.589 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.745 18.600 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.417 19.767 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 917 17.249 21.026 0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 917 16.585 19.804 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.300 18.082 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.539 19.458 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.409 18.843 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 15.141 20.048 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.045 18.410 0.785 1.00 0.00 H new ATOM 1217 N ILE A 918 21.790 18.462 -1.226 1.00 0.00 N ATOM 1218 CA ILE A 918 22.814 18.055 -0.271 1.00 0.00 C ATOM 1219 C ILE A 918 24.207 18.492 -0.735 1.00 0.00 C ATOM 1220 O ILE A 918 25.009 19.013 0.069 1.00 0.00 O ATOM 1221 CB ILE A 918 22.799 16.509 -0.035 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.427 16.064 0.494 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.910 16.091 0.935 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.294 14.566 0.717 1.00 0.00 C ATOM 0 H ILE A 918 21.290 17.680 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 918 22.583 18.551 0.672 1.00 0.00 H new ATOM 0 HB ILE A 918 22.982 16.016 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.230 16.578 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.659 16.384 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.878 15.011 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.879 16.372 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.765 16.592 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.295 14.341 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 918 21.456 14.042 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 918 22.036 14.239 1.446 1.00 0.00 H new