USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 481 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 885 CYS SG : rot 148:sc= 1.12 USER MOD Set 1.2: A 888 CYS SG : rot 34:sc= 1.84 USER MOD Set 1.3: A 892 TYR OH : rot 2:sc= 1.33 USER MOD Set 1.4: A 911 CYS SG : rot -126:sc= 0.662 USER MOD Set 1.5: A 914 CYS SG : rot -90:sc= -0.597 USER MOD Set 2.1: A 870 CYS SG : rot -161:sc= 1.54 USER MOD Set 2.2: A 873 CYS SG : rot -70:sc= -0.97! USER MOD Set 2.3: A 880 SER OG : rot -92:sc= 1.33 USER MOD Set 2.4: A 882 MET CE :methyl -130:sc= -0.334 (180deg=-1.32) USER MOD Set 2.5: A 893 HIS : no HE2:sc= -1.6 K(o=-3.4,f=-5.5!) USER MOD Set 2.6: A 896 CYS SG : rot -145:sc= -3.42! USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -1.09! X(o=-1.1!,f=-0.92) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.13) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 900 MET CE :methyl 161:sc= -0.146 (180deg=-0.671) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN :FLIP amide:sc= -0.0213 F(o=-1.1,f=-0.021) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 917 LYS NZ :NH3+ 149:sc= 1.26 (180deg=1.06) USER MOD Single : P 1 ALA N :NH3+ -115:sc= 0.959 (180deg=-0.0425) USER MOD Single : P 3 THR OG1 : rot 44:sc= 0 USER MOD Single : P 5 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.8) USER MOD Single : P 6 THR OG1 : rot 160:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 12.800 5.587 4.934 1.00 0.00 N ATOM 2 CA ALA P 1 12.203 5.367 3.643 1.00 0.00 C ATOM 3 C ALA P 1 10.909 4.651 3.838 1.00 0.00 C ATOM 4 O ALA P 1 10.839 3.412 3.803 1.00 0.00 O ATOM 5 CB ALA P 1 13.119 4.592 2.702 1.00 0.00 C ATOM 0 H1 ALA P 1 12.844 6.608 5.127 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.227 5.121 5.666 1.00 0.00 H new ATOM 0 H3 ALA P 1 13.762 5.192 4.944 1.00 0.00 H new ATOM 0 HA ALA P 1 12.032 6.333 3.168 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.621 4.453 1.742 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.044 5.149 2.554 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.348 3.619 3.136 1.00 0.00 H new ATOM 13 N ARG P 2 9.905 5.419 4.150 1.00 0.00 N ATOM 14 CA ARG P 2 8.584 4.911 4.317 1.00 0.00 C ATOM 15 C ARG P 2 8.091 4.383 3.019 1.00 0.00 C ATOM 16 O ARG P 2 8.187 5.052 2.002 1.00 0.00 O ATOM 17 CB ARG P 2 7.662 5.988 4.769 1.00 0.00 C ATOM 18 CG ARG P 2 7.790 6.409 6.197 1.00 0.00 C ATOM 19 CD ARG P 2 7.087 5.452 7.170 1.00 0.00 C ATOM 20 NE ARG P 2 7.698 4.112 7.273 1.00 0.00 N ATOM 21 CZ ARG P 2 6.997 2.949 7.288 1.00 0.00 C ATOM 22 NH1 ARG P 2 5.700 2.932 6.956 1.00 0.00 N ATOM 23 NH2 ARG P 2 7.597 1.816 7.633 1.00 0.00 N ATOM 0 H ARG P 2 9.987 6.425 4.296 1.00 0.00 H new ATOM 0 HA ARG P 2 8.611 4.120 5.067 1.00 0.00 H new ATOM 0 HB2 ARG P 2 7.821 6.863 4.138 1.00 0.00 H new ATOM 0 HB3 ARG P 2 6.638 5.656 4.600 1.00 0.00 H new ATOM 0 HG2 ARG P 2 8.846 6.472 6.458 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.372 7.409 6.314 1.00 0.00 H new ATOM 0 HD2 ARG P 2 7.076 5.907 8.160 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.048 5.339 6.859 1.00 0.00 H new ATOM 0 HE ARG P 2 8.714 4.056 7.337 1.00 0.00 H new ATOM 0 HH11 ARG P 2 5.231 3.797 6.689 1.00 0.00 H new ATOM 0 HH12 ARG P 2 5.181 2.054 6.970 1.00 0.00 H new ATOM 0 HH21 ARG P 2 8.585 1.819 7.887 1.00 0.00 H new ATOM 0 HH22 ARG P 2 7.070 0.943 7.644 1.00 0.00 H new ATOM 37 N THR P 3 7.590 3.215 3.058 1.00 0.00 N ATOM 38 CA THR P 3 7.095 2.557 1.892 1.00 0.00 C ATOM 39 C THR P 3 5.783 1.863 2.185 1.00 0.00 C ATOM 40 O THR P 3 5.683 1.064 3.128 1.00 0.00 O ATOM 41 CB THR P 3 8.138 1.567 1.333 1.00 0.00 C ATOM 42 OG1 THR P 3 8.898 0.989 2.428 1.00 0.00 O ATOM 43 CG2 THR P 3 9.082 2.262 0.365 1.00 0.00 C ATOM 0 H THR P 3 7.504 2.666 3.913 1.00 0.00 H new ATOM 0 HA THR P 3 6.911 3.312 1.127 1.00 0.00 H new ATOM 0 HB THR P 3 7.612 0.779 0.794 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.288 0.741 3.154 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.808 1.543 -0.015 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.511 2.675 -0.466 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.605 3.067 0.882 1.00 0.00 H new ATOM 82 N GLN P 5 2.105 0.553 -0.050 1.00 0.00 N ATOM 83 CA GLN P 5 1.410 0.433 -1.279 1.00 0.00 C ATOM 84 C GLN P 5 -0.063 0.503 -1.017 1.00 0.00 C ATOM 85 O GLN P 5 -0.646 -0.390 -0.384 1.00 0.00 O ATOM 86 CB GLN P 5 1.780 -0.843 -1.991 1.00 0.00 C ATOM 87 CG GLN P 5 1.250 -0.893 -3.395 1.00 0.00 C ATOM 88 CD GLN P 5 1.758 -2.066 -4.158 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.848 -2.565 -3.911 1.00 0.00 O ATOM 90 NE2 GLN P 5 1.019 -2.478 -5.113 1.00 0.00 N ATOM 0 HA GLN P 5 1.695 1.256 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.865 -0.942 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.393 -1.694 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN P 5 0.161 -0.927 -3.367 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.527 0.023 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN P 5 0.117 -2.036 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN P 5 1.331 -3.250 -5.703 1.00 0.00 H new ATOM 99 N THR P 6 -0.657 1.555 -1.487 1.00 0.00 N ATOM 100 CA THR P 6 -2.056 1.839 -1.273 1.00 0.00 C ATOM 101 C THR P 6 -2.986 0.840 -2.042 1.00 0.00 C ATOM 102 O THR P 6 -4.193 0.791 -1.808 1.00 0.00 O ATOM 103 CB THR P 6 -2.310 3.297 -1.693 1.00 0.00 C ATOM 104 OG1 THR P 6 -1.343 4.135 -1.044 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.713 3.767 -1.335 1.00 0.00 C ATOM 0 H THR P 6 -0.178 2.262 -2.045 1.00 0.00 H new ATOM 0 HA THR P 6 -2.299 1.708 -0.219 1.00 0.00 H new ATOM 0 HB THR P 6 -2.217 3.359 -2.777 1.00 0.00 H new ATOM 0 HG1 THR P 6 -1.274 4.987 -1.524 1.00 0.00 H new ATOM 0 HG21 THR P 6 -3.842 4.802 -1.652 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.447 3.139 -1.839 1.00 0.00 H new ATOM 0 HG23 THR P 6 -3.856 3.698 -0.257 1.00 0.00 H new ATOM 301 N TYR A 857 0.385 19.015 -1.835 1.00 0.00 N ATOM 302 CA TYR A 857 0.377 17.740 -2.518 1.00 0.00 C ATOM 303 C TYR A 857 -0.502 16.763 -1.795 1.00 0.00 C ATOM 304 O TYR A 857 -0.479 15.575 -2.040 1.00 0.00 O ATOM 305 CB TYR A 857 1.774 17.201 -2.672 1.00 0.00 C ATOM 306 CG TYR A 857 2.612 18.021 -3.619 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.460 17.888 -4.984 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.524 18.948 -3.151 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.194 18.647 -5.863 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.260 19.719 -4.020 1.00 0.00 C ATOM 311 CZ TYR A 857 4.092 19.562 -5.374 1.00 0.00 C ATOM 312 OH TYR A 857 4.817 20.331 -6.240 1.00 0.00 O ATOM 0 HA TYR A 857 -0.031 17.890 -3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.258 17.173 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.725 16.174 -3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.749 17.172 -5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 857 3.661 19.069 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 857 3.065 18.525 -6.928 1.00 0.00 H new ATOM 0 HE2 TYR A 857 4.965 20.443 -3.640 1.00 0.00 H new ATOM 0 HH TYR A 857 5.406 20.928 -5.733 1.00 0.00 H new ATOM 322 N VAL A 858 -1.261 17.290 -0.913 1.00 0.00 N ATOM 323 CA VAL A 858 -2.229 16.543 -0.160 1.00 0.00 C ATOM 324 C VAL A 858 -3.608 17.090 -0.471 1.00 0.00 C ATOM 325 O VAL A 858 -3.895 18.253 -0.186 1.00 0.00 O ATOM 326 CB VAL A 858 -1.983 16.649 1.371 1.00 0.00 C ATOM 327 CG1 VAL A 858 -3.015 15.842 2.146 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.581 16.195 1.729 1.00 0.00 C ATOM 0 H VAL A 858 -1.236 18.282 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 858 -2.143 15.494 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 858 -2.086 17.697 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.820 15.933 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -4.013 16.220 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.952 14.794 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.435 16.279 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.446 15.157 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.147 16.822 1.214 1.00 0.00 H new ATOM 338 N ILE A 859 -4.425 16.296 -1.093 1.00 0.00 N ATOM 339 CA ILE A 859 -5.798 16.676 -1.376 1.00 0.00 C ATOM 340 C ILE A 859 -6.709 15.683 -0.686 1.00 0.00 C ATOM 341 O ILE A 859 -6.231 14.674 -0.152 1.00 0.00 O ATOM 342 CB ILE A 859 -6.126 16.714 -2.906 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.995 15.315 -3.542 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.237 17.732 -3.625 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.364 15.255 -5.014 1.00 0.00 C ATOM 0 H ILE A 859 -4.171 15.365 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.950 17.690 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 859 -7.163 17.030 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.968 14.971 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.629 14.619 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.481 17.742 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.405 18.723 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.190 17.456 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.243 14.235 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.401 15.565 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.713 15.922 -5.580 1.00 0.00 H new ATOM 357 N ARG A 860 -7.983 15.950 -0.654 1.00 0.00 N ATOM 358 CA ARG A 860 -8.900 15.013 -0.058 1.00 0.00 C ATOM 359 C ARG A 860 -9.731 14.363 -1.153 1.00 0.00 C ATOM 360 O ARG A 860 -10.043 15.007 -2.171 1.00 0.00 O ATOM 361 CB ARG A 860 -9.813 15.692 0.986 1.00 0.00 C ATOM 362 CG ARG A 860 -10.913 16.563 0.407 1.00 0.00 C ATOM 363 CD ARG A 860 -11.754 17.188 1.491 1.00 0.00 C ATOM 364 NE ARG A 860 -12.970 17.793 0.943 1.00 0.00 N ATOM 365 CZ ARG A 860 -13.700 18.743 1.530 1.00 0.00 C ATOM 366 NH1 ARG A 860 -13.264 19.360 2.628 1.00 0.00 N ATOM 367 NH2 ARG A 860 -14.855 19.096 0.995 1.00 0.00 N ATOM 0 H ARG A 860 -8.410 16.798 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.324 14.251 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.270 14.919 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -9.195 16.303 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -10.471 17.346 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -11.547 15.963 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -12.023 16.430 2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -11.172 17.947 2.013 1.00 0.00 H new ATOM 0 HE ARG A 860 -13.287 17.459 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.361 19.108 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -13.833 20.084 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -15.181 18.643 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -15.421 19.821 1.436 1.00 0.00 H new ATOM 381 N ASP A 861 -10.059 13.106 -0.973 1.00 0.00 N ATOM 382 CA ASP A 861 -10.915 12.388 -1.916 1.00 0.00 C ATOM 383 C ASP A 861 -12.368 12.643 -1.522 1.00 0.00 C ATOM 384 O ASP A 861 -12.647 13.580 -0.758 1.00 0.00 O ATOM 385 CB ASP A 861 -10.608 10.878 -1.894 1.00 0.00 C ATOM 386 CG ASP A 861 -11.177 10.183 -0.694 1.00 0.00 C ATOM 387 OD1 ASP A 861 -10.761 10.470 0.423 1.00 0.00 O ATOM 388 OD2 ASP A 861 -12.080 9.375 -0.859 1.00 0.00 O ATOM 0 H ASP A 861 -9.748 12.547 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.731 12.744 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -11.008 10.418 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.528 10.732 -1.914 1.00 0.00 H new ATOM 393 N GLU A 862 -13.283 11.852 -2.030 1.00 0.00 N ATOM 394 CA GLU A 862 -14.684 12.029 -1.726 1.00 0.00 C ATOM 395 C GLU A 862 -14.988 11.668 -0.272 1.00 0.00 C ATOM 396 O GLU A 862 -15.882 12.246 0.339 1.00 0.00 O ATOM 397 CB GLU A 862 -15.559 11.213 -2.672 1.00 0.00 C ATOM 398 CG GLU A 862 -15.361 9.707 -2.575 1.00 0.00 C ATOM 399 CD GLU A 862 -16.306 8.951 -3.458 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.542 9.160 -3.349 1.00 0.00 O ATOM 401 OE2 GLU A 862 -15.850 8.130 -4.273 1.00 0.00 O ATOM 0 H GLU A 862 -13.081 11.075 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.917 13.084 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.605 11.443 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.357 11.528 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.335 9.459 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.501 9.390 -1.541 1.00 0.00 H new ATOM 408 N TRP A 863 -14.243 10.724 0.275 1.00 0.00 N ATOM 409 CA TRP A 863 -14.438 10.310 1.633 1.00 0.00 C ATOM 410 C TRP A 863 -13.808 11.324 2.554 1.00 0.00 C ATOM 411 O TRP A 863 -14.378 11.698 3.574 1.00 0.00 O ATOM 412 CB TRP A 863 -13.855 8.907 1.871 1.00 0.00 C ATOM 413 CG TRP A 863 -14.405 7.833 0.957 1.00 0.00 C ATOM 414 CD1 TRP A 863 -13.695 6.955 0.190 1.00 0.00 C ATOM 415 CD2 TRP A 863 -15.778 7.545 0.711 1.00 0.00 C ATOM 416 NE1 TRP A 863 -14.558 6.123 -0.495 1.00 0.00 N ATOM 417 CE2 TRP A 863 -15.838 6.472 -0.193 1.00 0.00 C ATOM 418 CE3 TRP A 863 -16.944 8.090 1.175 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -17.045 5.942 -0.631 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -18.146 7.572 0.749 1.00 0.00 C ATOM 421 CH2 TRP A 863 -18.188 6.502 -0.147 1.00 0.00 C ATOM 0 H TRP A 863 -13.494 10.233 -0.214 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.506 10.254 1.841 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -12.773 8.952 1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.046 8.619 2.905 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -12.617 6.917 0.128 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -14.281 5.370 -1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -16.922 8.918 1.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -17.076 5.118 -1.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -19.069 7.999 1.113 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -19.144 6.111 -0.462 1.00 0.00 H new ATOM 432 N GLY A 864 -12.658 11.803 2.163 1.00 0.00 N ATOM 433 CA GLY A 864 -11.982 12.790 2.954 1.00 0.00 C ATOM 434 C GLY A 864 -10.680 12.280 3.499 1.00 0.00 C ATOM 435 O GLY A 864 -10.252 12.665 4.592 1.00 0.00 O ATOM 0 H GLY A 864 -12.174 11.527 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.798 13.677 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.625 13.096 3.779 1.00 0.00 H new ATOM 439 N ASN A 865 -10.052 11.413 2.761 1.00 0.00 N ATOM 440 CA ASN A 865 -8.765 10.868 3.136 1.00 0.00 C ATOM 441 C ASN A 865 -7.696 11.753 2.568 1.00 0.00 C ATOM 442 O ASN A 865 -7.979 12.615 1.714 1.00 0.00 O ATOM 443 CB ASN A 865 -8.562 9.445 2.573 1.00 0.00 C ATOM 444 CG ASN A 865 -9.625 8.453 2.993 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.514 7.788 4.023 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.660 8.338 2.202 1.00 0.00 N ATOM 0 H ASN A 865 -10.413 11.057 1.876 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.716 10.819 4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.540 9.497 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.588 9.075 2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.407 7.682 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.721 8.904 1.356 1.00 0.00 H new ATOM 453 N GLN A 866 -6.495 11.582 3.027 1.00 0.00 N ATOM 454 CA GLN A 866 -5.390 12.305 2.487 1.00 0.00 C ATOM 455 C GLN A 866 -4.891 11.600 1.264 1.00 0.00 C ATOM 456 O GLN A 866 -4.533 10.421 1.309 1.00 0.00 O ATOM 457 CB GLN A 866 -4.272 12.458 3.496 1.00 0.00 C ATOM 458 CG GLN A 866 -4.637 13.298 4.682 1.00 0.00 C ATOM 459 CD GLN A 866 -3.469 13.483 5.634 1.00 0.00 C ATOM 460 OE1 GLN A 866 -2.719 14.526 5.437 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -3.252 12.688 6.554 1.00 0.00 N flip ATOM 0 H GLN A 866 -6.256 10.940 3.783 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.730 13.307 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -3.970 11.469 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.407 12.901 3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -4.984 14.273 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.467 12.832 5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.859 11.879 6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.466 12.841 7.185 1.00 0.00 H new ATOM 470 N ILE A 867 -4.925 12.286 0.183 1.00 0.00 N ATOM 471 CA ILE A 867 -4.448 11.768 -1.064 1.00 0.00 C ATOM 472 C ILE A 867 -3.207 12.531 -1.432 1.00 0.00 C ATOM 473 O ILE A 867 -3.247 13.754 -1.578 1.00 0.00 O ATOM 474 CB ILE A 867 -5.502 11.916 -2.200 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.831 11.221 -1.832 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.959 11.379 -3.529 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.719 9.727 -1.561 1.00 0.00 C ATOM 0 H ILE A 867 -5.288 13.238 0.128 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.245 10.703 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.705 12.980 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.245 11.706 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.542 11.376 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.716 11.495 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -4.065 11.936 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.710 10.323 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.702 9.328 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.338 9.224 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.037 9.558 -0.728 1.00 0.00 H new ATOM 489 N TRP A 868 -2.117 11.836 -1.537 1.00 0.00 N ATOM 490 CA TRP A 868 -0.862 12.456 -1.864 1.00 0.00 C ATOM 491 C TRP A 868 -0.616 12.469 -3.333 1.00 0.00 C ATOM 492 O TRP A 868 -0.963 11.534 -4.043 1.00 0.00 O ATOM 493 CB TRP A 868 0.310 11.798 -1.154 1.00 0.00 C ATOM 494 CG TRP A 868 0.401 12.135 0.291 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.163 13.116 0.845 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.290 11.505 1.368 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.002 13.123 2.207 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.111 12.146 2.551 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.207 10.459 1.446 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.374 11.773 3.792 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.687 10.092 2.677 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.272 10.743 3.831 1.00 0.00 C ATOM 0 H TRP A 868 -2.068 10.826 -1.400 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.938 13.485 -1.513 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.227 10.716 -1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.235 12.097 -1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.801 13.790 0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.471 13.754 2.857 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.534 9.947 0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.056 12.275 4.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.399 9.284 2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.669 10.427 4.784 1.00 0.00 H new ATOM 513 N ILE A 869 -0.098 13.552 -3.771 1.00 0.00 N ATOM 514 CA ILE A 869 0.319 13.753 -5.107 1.00 0.00 C ATOM 515 C ILE A 869 1.820 13.672 -5.140 1.00 0.00 C ATOM 516 O ILE A 869 2.492 14.321 -4.338 1.00 0.00 O ATOM 517 CB ILE A 869 -0.175 15.137 -5.679 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.677 15.132 -6.011 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.609 15.558 -6.906 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.622 15.001 -4.844 1.00 0.00 C ATOM 0 H ILE A 869 0.055 14.367 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.122 12.983 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 869 0.000 15.861 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.913 16.056 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.871 14.311 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.235 16.516 -7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.664 15.654 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 869 0.493 14.807 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.650 15.010 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.429 14.063 -4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.471 15.835 -4.158 1.00 0.00 H new ATOM 532 N CYS A 870 2.323 12.845 -6.021 1.00 0.00 N ATOM 533 CA CYS A 870 3.726 12.701 -6.216 1.00 0.00 C ATOM 534 C CYS A 870 4.227 13.949 -6.913 1.00 0.00 C ATOM 535 O CYS A 870 3.796 14.252 -8.028 1.00 0.00 O ATOM 536 CB CYS A 870 3.978 11.469 -7.091 1.00 0.00 C ATOM 537 SG CYS A 870 5.702 11.113 -7.559 1.00 0.00 S ATOM 0 H CYS A 870 1.756 12.250 -6.625 1.00 0.00 H new ATOM 0 HA CYS A 870 4.246 12.573 -5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.584 10.598 -6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.397 11.581 -8.006 1.00 0.00 H new ATOM 0 HG CYS A 870 5.717 10.312 -8.583 1.00 0.00 H new ATOM 542 N PRO A 871 5.112 14.714 -6.280 1.00 0.00 N ATOM 543 CA PRO A 871 5.676 15.918 -6.877 1.00 0.00 C ATOM 544 C PRO A 871 6.591 15.612 -8.084 1.00 0.00 C ATOM 545 O PRO A 871 7.147 16.532 -8.702 1.00 0.00 O ATOM 546 CB PRO A 871 6.478 16.556 -5.730 1.00 0.00 C ATOM 547 CG PRO A 871 5.966 15.899 -4.494 1.00 0.00 C ATOM 548 CD PRO A 871 5.600 14.511 -4.907 1.00 0.00 C ATOM 0 HA PRO A 871 4.899 16.570 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.548 16.387 -5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.328 17.635 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.724 15.889 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.102 16.431 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.456 13.837 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.833 14.083 -4.261 1.00 0.00 H new ATOM 556 N GLY A 872 6.754 14.335 -8.408 1.00 0.00 N ATOM 557 CA GLY A 872 7.548 13.953 -9.541 1.00 0.00 C ATOM 558 C GLY A 872 6.772 14.063 -10.840 1.00 0.00 C ATOM 559 O GLY A 872 7.317 14.483 -11.869 1.00 0.00 O ATOM 0 H GLY A 872 6.342 13.556 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.434 14.586 -9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.895 12.928 -9.412 1.00 0.00 H new ATOM 563 N CYS A 873 5.512 13.700 -10.803 1.00 0.00 N ATOM 564 CA CYS A 873 4.665 13.708 -11.984 1.00 0.00 C ATOM 565 C CYS A 873 3.480 14.664 -11.830 1.00 0.00 C ATOM 566 O CYS A 873 2.854 15.073 -12.826 1.00 0.00 O ATOM 567 CB CYS A 873 4.146 12.311 -12.115 1.00 0.00 C ATOM 568 SG CYS A 873 3.514 11.703 -10.539 1.00 0.00 S ATOM 0 H CYS A 873 5.039 13.389 -9.954 1.00 0.00 H new ATOM 0 HA CYS A 873 5.232 14.039 -12.854 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.354 12.283 -12.863 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.942 11.656 -12.468 1.00 0.00 H new ATOM 0 HG CYS A 873 4.504 11.513 -9.719 1.00 0.00 H new ATOM 573 N ASN A 874 3.162 14.955 -10.570 1.00 0.00 N ATOM 574 CA ASN A 874 2.032 15.779 -10.147 1.00 0.00 C ATOM 575 C ASN A 874 0.733 14.951 -10.232 1.00 0.00 C ATOM 576 O ASN A 874 -0.379 15.472 -10.262 1.00 0.00 O ATOM 577 CB ASN A 874 1.972 17.143 -10.909 1.00 0.00 C ATOM 578 CG ASN A 874 0.933 18.124 -10.361 1.00 0.00 C ATOM 579 OD1 ASN A 874 1.196 18.851 -9.400 1.00 0.00 O ATOM 580 ND2 ASN A 874 -0.201 18.214 -10.993 1.00 0.00 N ATOM 0 H ASN A 874 3.709 14.608 -9.782 1.00 0.00 H new ATOM 0 HA ASN A 874 2.166 16.065 -9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.955 17.612 -10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.754 16.950 -11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 874 -0.897 18.898 -10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 874 -0.394 17.601 -11.785 1.00 0.00 H new ATOM 587 N LYS A 875 0.891 13.635 -10.196 1.00 0.00 N ATOM 588 CA LYS A 875 -0.235 12.733 -10.205 1.00 0.00 C ATOM 589 C LYS A 875 -0.480 12.209 -8.795 1.00 0.00 C ATOM 590 O LYS A 875 0.475 11.903 -8.060 1.00 0.00 O ATOM 591 CB LYS A 875 0.009 11.562 -11.155 1.00 0.00 C ATOM 592 CG LYS A 875 0.225 11.975 -12.593 1.00 0.00 C ATOM 593 CD LYS A 875 0.569 10.781 -13.459 1.00 0.00 C ATOM 594 CE LYS A 875 0.918 11.209 -14.870 1.00 0.00 C ATOM 595 NZ LYS A 875 1.286 10.058 -15.723 1.00 0.00 N ATOM 0 H LYS A 875 1.799 13.173 -10.160 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.112 13.279 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.881 11.004 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.843 10.884 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.675 12.458 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.028 12.710 -12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.409 10.241 -13.022 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.275 10.091 -13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 875 0.069 11.730 -15.311 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.746 11.917 -14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 1.517 10.395 -16.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 2.112 9.575 -15.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 0.487 9.394 -15.774 1.00 0.00 H new ATOM 609 N PRO A 876 -1.745 12.137 -8.383 1.00 0.00 N ATOM 610 CA PRO A 876 -2.115 11.628 -7.078 1.00 0.00 C ATOM 611 C PRO A 876 -1.907 10.127 -6.948 1.00 0.00 C ATOM 612 O PRO A 876 -1.645 9.418 -7.932 1.00 0.00 O ATOM 613 CB PRO A 876 -3.597 11.975 -6.939 1.00 0.00 C ATOM 614 CG PRO A 876 -4.093 12.188 -8.318 1.00 0.00 C ATOM 615 CD PRO A 876 -2.910 12.576 -9.161 1.00 0.00 C ATOM 0 HA PRO A 876 -1.493 12.068 -6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.143 11.170 -6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.734 12.870 -6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.559 11.281 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -4.852 12.970 -8.337 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.942 12.091 -10.137 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -2.886 13.651 -9.340 1.00 0.00 H new ATOM 623 N ASP A 877 -2.058 9.655 -5.753 1.00 0.00 N ATOM 624 CA ASP A 877 -1.894 8.254 -5.429 1.00 0.00 C ATOM 625 C ASP A 877 -3.057 7.487 -6.003 1.00 0.00 C ATOM 626 O ASP A 877 -4.224 7.863 -5.819 1.00 0.00 O ATOM 627 CB ASP A 877 -1.832 8.086 -3.908 1.00 0.00 C ATOM 628 CG ASP A 877 -1.681 6.645 -3.423 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.487 5.719 -4.238 1.00 0.00 O ATOM 630 OD2 ASP A 877 -1.779 6.436 -2.191 1.00 0.00 O ATOM 0 H ASP A 877 -2.304 10.235 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 877 -0.967 7.871 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.995 8.671 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.739 8.506 -3.474 1.00 0.00 H new ATOM 635 N ASP A 878 -2.743 6.469 -6.742 1.00 0.00 N ATOM 636 CA ASP A 878 -3.755 5.674 -7.423 1.00 0.00 C ATOM 637 C ASP A 878 -3.842 4.309 -6.794 1.00 0.00 C ATOM 638 O ASP A 878 -4.651 3.463 -7.205 1.00 0.00 O ATOM 639 CB ASP A 878 -3.451 5.540 -8.940 1.00 0.00 C ATOM 640 CG ASP A 878 -2.188 4.739 -9.268 1.00 0.00 C ATOM 641 OD1 ASP A 878 -1.091 5.334 -9.361 1.00 0.00 O ATOM 642 OD2 ASP A 878 -2.279 3.520 -9.469 1.00 0.00 O ATOM 0 H ASP A 878 -1.786 6.155 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.711 6.187 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -4.303 5.066 -9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -3.354 6.538 -9.367 1.00 0.00 H new ATOM 647 N GLY A 879 -3.078 4.126 -5.758 1.00 0.00 N ATOM 648 CA GLY A 879 -2.943 2.848 -5.141 1.00 0.00 C ATOM 649 C GLY A 879 -1.528 2.378 -5.344 1.00 0.00 C ATOM 650 O GLY A 879 -1.231 1.176 -5.406 1.00 0.00 O ATOM 0 H GLY A 879 -2.530 4.865 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.174 2.912 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.646 2.138 -5.577 1.00 0.00 H new ATOM 654 N SER A 880 -0.664 3.317 -5.416 1.00 0.00 N ATOM 655 CA SER A 880 0.666 3.091 -5.822 1.00 0.00 C ATOM 656 C SER A 880 1.551 2.729 -4.617 1.00 0.00 C ATOM 657 O SER A 880 1.169 2.972 -3.459 1.00 0.00 O ATOM 658 CB SER A 880 1.157 4.396 -6.414 1.00 0.00 C ATOM 659 OG SER A 880 0.075 5.145 -7.001 1.00 0.00 O ATOM 0 H SER A 880 -0.869 4.290 -5.188 1.00 0.00 H new ATOM 0 HA SER A 880 0.713 2.268 -6.535 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.636 4.993 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 880 1.914 4.192 -7.171 1.00 0.00 H new ATOM 0 HG SER A 880 -0.001 4.919 -7.951 1.00 0.00 H new ATOM 665 N PRO A 881 2.692 2.067 -4.857 1.00 0.00 N ATOM 666 CA PRO A 881 3.714 1.932 -3.856 1.00 0.00 C ATOM 667 C PRO A 881 4.446 3.261 -3.794 1.00 0.00 C ATOM 668 O PRO A 881 4.976 3.748 -4.815 1.00 0.00 O ATOM 669 CB PRO A 881 4.640 0.826 -4.388 1.00 0.00 C ATOM 670 CG PRO A 881 4.015 0.321 -5.644 1.00 0.00 C ATOM 671 CD PRO A 881 3.054 1.380 -6.102 1.00 0.00 C ATOM 0 HA PRO A 881 3.344 1.684 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.639 1.216 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.746 0.024 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.773 0.131 -6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.497 -0.622 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.516 2.060 -6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.181 0.947 -6.591 1.00 0.00 H new ATOM 679 N MET A 882 4.416 3.891 -2.663 1.00 0.00 N ATOM 680 CA MET A 882 4.983 5.204 -2.554 1.00 0.00 C ATOM 681 C MET A 882 6.049 5.221 -1.520 1.00 0.00 C ATOM 682 O MET A 882 6.055 4.385 -0.597 1.00 0.00 O ATOM 683 CB MET A 882 3.914 6.249 -2.226 1.00 0.00 C ATOM 684 CG MET A 882 2.737 6.218 -3.170 1.00 0.00 C ATOM 685 SD MET A 882 1.601 7.593 -2.956 1.00 0.00 S ATOM 686 CE MET A 882 2.574 8.936 -3.599 1.00 0.00 C ATOM 0 H MET A 882 4.008 3.523 -1.804 1.00 0.00 H new ATOM 0 HA MET A 882 5.418 5.460 -3.520 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.559 6.087 -1.208 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.366 7.241 -2.252 1.00 0.00 H new ATOM 0 HG2 MET A 882 3.106 6.219 -4.196 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.193 5.284 -3.028 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.572 9.761 -2.886 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.598 8.599 -3.761 1.00 0.00 H new ATOM 0 HE3 MET A 882 2.149 9.273 -4.545 1.00 0.00 H new ATOM 696 N ILE A 883 6.945 6.145 -1.660 1.00 0.00 N ATOM 697 CA ILE A 883 8.029 6.286 -0.748 1.00 0.00 C ATOM 698 C ILE A 883 8.065 7.726 -0.226 1.00 0.00 C ATOM 699 O ILE A 883 7.801 8.680 -0.975 1.00 0.00 O ATOM 700 CB ILE A 883 9.372 5.844 -1.405 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.526 5.855 -0.398 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.701 6.715 -2.617 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.763 5.150 -0.904 1.00 0.00 C ATOM 0 H ILE A 883 6.943 6.828 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 883 7.883 5.626 0.107 1.00 0.00 H new ATOM 0 HB ILE A 883 9.244 4.817 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.778 6.887 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.198 5.380 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.642 6.386 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 883 8.905 6.626 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.791 7.755 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.543 5.193 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.525 4.109 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.114 5.639 -1.813 1.00 0.00 H new ATOM 715 N GLY A 884 8.291 7.863 1.056 1.00 0.00 N ATOM 716 CA GLY A 884 8.308 9.166 1.675 1.00 0.00 C ATOM 717 C GLY A 884 9.705 9.727 1.790 1.00 0.00 C ATOM 718 O GLY A 884 10.599 9.071 2.348 1.00 0.00 O ATOM 0 H GLY A 884 8.466 7.087 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.691 9.850 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.862 9.100 2.668 1.00 0.00 H new ATOM 722 N CYS A 885 9.900 10.915 1.259 1.00 0.00 N ATOM 723 CA CYS A 885 11.175 11.605 1.330 1.00 0.00 C ATOM 724 C CYS A 885 11.334 12.151 2.737 1.00 0.00 C ATOM 725 O CYS A 885 10.354 12.592 3.355 1.00 0.00 O ATOM 726 CB CYS A 885 11.183 12.764 0.296 1.00 0.00 C ATOM 727 SG CYS A 885 12.725 13.775 0.161 1.00 0.00 S ATOM 0 H CYS A 885 9.176 11.434 0.763 1.00 0.00 H new ATOM 0 HA CYS A 885 11.999 10.929 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 885 10.971 12.341 -0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.360 13.436 0.538 1.00 0.00 H new ATOM 0 HG CYS A 885 12.865 14.192 -1.062 1.00 0.00 H new ATOM 732 N ASP A 886 12.534 12.119 3.251 1.00 0.00 N ATOM 733 CA ASP A 886 12.781 12.637 4.588 1.00 0.00 C ATOM 734 C ASP A 886 12.839 14.149 4.561 1.00 0.00 C ATOM 735 O ASP A 886 12.450 14.819 5.522 1.00 0.00 O ATOM 736 CB ASP A 886 14.079 12.088 5.164 1.00 0.00 C ATOM 737 CG ASP A 886 14.328 12.552 6.602 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.827 11.904 7.547 1.00 0.00 O ATOM 739 OD2 ASP A 886 15.029 13.575 6.811 1.00 0.00 O ATOM 0 H ASP A 886 13.356 11.745 2.777 1.00 0.00 H new ATOM 0 HA ASP A 886 11.958 12.315 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 886 14.052 10.999 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 886 14.912 12.402 4.535 1.00 0.00 H new ATOM 744 N ASP A 887 13.281 14.696 3.442 1.00 0.00 N ATOM 745 CA ASP A 887 13.435 16.132 3.354 1.00 0.00 C ATOM 746 C ASP A 887 12.125 16.760 2.962 1.00 0.00 C ATOM 747 O ASP A 887 11.610 17.611 3.678 1.00 0.00 O ATOM 748 CB ASP A 887 14.537 16.535 2.386 1.00 0.00 C ATOM 749 CG ASP A 887 14.894 18.014 2.483 1.00 0.00 C ATOM 750 OD1 ASP A 887 14.055 18.882 2.175 1.00 0.00 O ATOM 751 OD2 ASP A 887 16.030 18.334 2.892 1.00 0.00 O ATOM 0 H ASP A 887 13.534 14.179 2.600 1.00 0.00 H new ATOM 0 HA ASP A 887 13.732 16.497 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.426 15.937 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.221 16.308 1.368 1.00 0.00 H new ATOM 756 N CYS A 888 11.557 16.321 1.836 1.00 0.00 N ATOM 757 CA CYS A 888 10.253 16.845 1.411 1.00 0.00 C ATOM 758 C CYS A 888 9.202 16.554 2.467 1.00 0.00 C ATOM 759 O CYS A 888 8.454 17.439 2.876 1.00 0.00 O ATOM 760 CB CYS A 888 9.766 16.215 0.086 1.00 0.00 C ATOM 761 SG CYS A 888 10.734 16.564 -1.403 1.00 0.00 S ATOM 0 H CYS A 888 11.965 15.622 1.215 1.00 0.00 H new ATOM 0 HA CYS A 888 10.387 17.917 1.267 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.730 15.134 0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 888 8.743 16.548 -0.090 1.00 0.00 H new ATOM 0 HG CYS A 888 11.992 16.660 -1.090 1.00 0.00 H new ATOM 766 N ASP A 889 9.206 15.294 2.917 1.00 0.00 N ATOM 767 CA ASP A 889 8.198 14.721 3.824 1.00 0.00 C ATOM 768 C ASP A 889 6.907 14.511 3.036 1.00 0.00 C ATOM 769 O ASP A 889 5.813 14.327 3.572 1.00 0.00 O ATOM 770 CB ASP A 889 8.004 15.559 5.110 1.00 0.00 C ATOM 771 CG ASP A 889 7.097 14.899 6.123 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.371 13.744 6.520 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.125 15.542 6.581 1.00 0.00 O ATOM 0 H ASP A 889 9.929 14.624 2.655 1.00 0.00 H new ATOM 0 HA ASP A 889 8.546 13.755 4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.977 15.740 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.591 16.532 4.843 1.00 0.00 H new ATOM 778 N ASP A 890 7.084 14.495 1.726 1.00 0.00 N ATOM 779 CA ASP A 890 6.018 14.259 0.782 1.00 0.00 C ATOM 780 C ASP A 890 6.200 12.873 0.239 1.00 0.00 C ATOM 781 O ASP A 890 7.287 12.275 0.393 1.00 0.00 O ATOM 782 CB ASP A 890 6.020 15.277 -0.391 1.00 0.00 C ATOM 783 CG ASP A 890 5.666 16.702 0.010 1.00 0.00 C ATOM 784 OD1 ASP A 890 4.474 17.027 0.114 1.00 0.00 O ATOM 785 OD2 ASP A 890 6.586 17.543 0.214 1.00 0.00 O ATOM 0 H ASP A 890 7.991 14.649 1.286 1.00 0.00 H new ATOM 0 HA ASP A 890 5.064 14.376 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.007 15.278 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 890 5.313 14.940 -1.149 1.00 0.00 H new ATOM 790 N TRP A 891 5.189 12.365 -0.392 1.00 0.00 N ATOM 791 CA TRP A 891 5.222 11.026 -0.911 1.00 0.00 C ATOM 792 C TRP A 891 5.393 11.036 -2.400 1.00 0.00 C ATOM 793 O TRP A 891 4.629 11.670 -3.113 1.00 0.00 O ATOM 794 CB TRP A 891 3.960 10.266 -0.530 1.00 0.00 C ATOM 795 CG TRP A 891 3.854 9.961 0.923 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.411 10.777 1.908 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.196 8.735 1.548 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.455 10.129 3.109 1.00 0.00 N ATOM 799 CE2 TRP A 891 3.935 8.875 2.918 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.697 7.536 1.081 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.159 7.852 3.825 1.00 0.00 C ATOM 802 CZ3 TRP A 891 4.921 6.524 1.968 1.00 0.00 C ATOM 803 CH2 TRP A 891 4.651 6.683 3.330 1.00 0.00 C ATOM 0 H TRP A 891 4.316 12.863 -0.564 1.00 0.00 H new ATOM 0 HA TRP A 891 6.078 10.517 -0.468 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.091 10.850 -0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.927 9.332 -1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.072 11.792 1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.172 10.524 4.006 1.00 0.00 H new ATOM 0 HE3 TRP A 891 4.908 7.402 0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 3.953 7.976 4.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.314 5.583 1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 891 4.837 5.860 4.005 1.00 0.00 H new ATOM 814 N TYR A 892 6.389 10.336 -2.852 1.00 0.00 N ATOM 815 CA TYR A 892 6.687 10.215 -4.252 1.00 0.00 C ATOM 816 C TYR A 892 6.411 8.792 -4.691 1.00 0.00 C ATOM 817 O TYR A 892 6.440 7.857 -3.865 1.00 0.00 O ATOM 818 CB TYR A 892 8.163 10.549 -4.512 1.00 0.00 C ATOM 819 CG TYR A 892 8.552 12.017 -4.380 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.631 12.645 -3.143 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.852 12.770 -5.509 1.00 0.00 C ATOM 822 CE1 TYR A 892 8.994 13.975 -3.040 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.217 14.096 -5.416 1.00 0.00 C ATOM 824 CZ TYR A 892 9.289 14.693 -4.181 1.00 0.00 C ATOM 825 OH TYR A 892 9.633 16.022 -4.088 1.00 0.00 O ATOM 0 H TYR A 892 7.031 9.822 -2.249 1.00 0.00 H new ATOM 0 HA TYR A 892 6.064 10.911 -4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.773 9.969 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.418 10.216 -5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.405 12.085 -2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.798 12.305 -6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.046 14.450 -2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.445 14.661 -6.308 1.00 0.00 H new ATOM 0 HH TYR A 892 9.650 16.290 -3.146 1.00 0.00 H new ATOM 835 N HIS A 893 6.123 8.612 -5.950 1.00 0.00 N ATOM 836 CA HIS A 893 5.907 7.281 -6.492 1.00 0.00 C ATOM 837 C HIS A 893 7.234 6.638 -6.816 1.00 0.00 C ATOM 838 O HIS A 893 8.205 7.327 -7.137 1.00 0.00 O ATOM 839 CB HIS A 893 5.049 7.295 -7.761 1.00 0.00 C ATOM 840 CG HIS A 893 3.648 7.755 -7.575 1.00 0.00 C ATOM 841 ND1 HIS A 893 3.122 8.765 -8.332 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.706 7.279 -6.762 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.846 8.875 -7.946 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.562 7.990 -6.997 1.00 0.00 N ATOM 0 H HIS A 893 6.030 9.367 -6.629 1.00 0.00 H new ATOM 0 HA HIS A 893 5.375 6.713 -5.729 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.530 7.938 -8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 893 5.031 6.288 -8.179 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.602 9.318 -9.042 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.824 6.478 -6.048 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.142 9.587 -8.351 1.00 0.00 H new ATOM 852 N TRP A 894 7.264 5.326 -6.763 1.00 0.00 N ATOM 853 CA TRP A 894 8.467 4.560 -7.035 1.00 0.00 C ATOM 854 C TRP A 894 9.029 4.797 -8.447 1.00 0.00 C ATOM 855 O TRP A 894 10.187 5.219 -8.570 1.00 0.00 O ATOM 856 CB TRP A 894 8.264 3.063 -6.780 1.00 0.00 C ATOM 857 CG TRP A 894 8.172 2.666 -5.348 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.159 3.480 -4.251 1.00 0.00 C ATOM 859 CD2 TRP A 894 8.103 1.333 -4.862 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.076 2.722 -3.111 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.037 1.400 -3.462 1.00 0.00 C ATOM 862 CE3 TRP A 894 8.085 0.085 -5.483 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.950 0.264 -2.671 1.00 0.00 C ATOM 864 CZ3 TRP A 894 8.001 -1.042 -4.701 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.933 -0.948 -3.310 1.00 0.00 C ATOM 0 H TRP A 894 6.453 4.754 -6.529 1.00 0.00 H new ATOM 0 HA TRP A 894 9.212 4.929 -6.330 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.353 2.746 -7.287 1.00 0.00 H new ATOM 0 HB3 TRP A 894 9.090 2.518 -7.238 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.207 4.559 -4.277 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.048 3.084 -2.158 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.136 0.005 -6.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.898 0.332 -1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.987 -2.015 -5.170 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.865 -1.852 -2.723 1.00 0.00 H new ATOM 876 N PRO A 895 8.231 4.575 -9.549 1.00 0.00 N ATOM 877 CA PRO A 895 8.736 4.738 -10.922 1.00 0.00 C ATOM 878 C PRO A 895 9.147 6.178 -11.241 1.00 0.00 C ATOM 879 O PRO A 895 9.897 6.435 -12.186 1.00 0.00 O ATOM 880 CB PRO A 895 7.555 4.311 -11.811 1.00 0.00 C ATOM 881 CG PRO A 895 6.355 4.460 -10.943 1.00 0.00 C ATOM 882 CD PRO A 895 6.814 4.120 -9.561 1.00 0.00 C ATOM 0 HA PRO A 895 9.638 4.147 -11.079 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.481 4.938 -12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.670 3.283 -12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.963 5.476 -10.987 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.553 3.795 -11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.221 4.632 -8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.733 3.051 -9.362 1.00 0.00 H new ATOM 890 N CYS A 896 8.664 7.096 -10.449 1.00 0.00 N ATOM 891 CA CYS A 896 8.944 8.477 -10.623 1.00 0.00 C ATOM 892 C CYS A 896 10.325 8.835 -10.084 1.00 0.00 C ATOM 893 O CYS A 896 11.060 9.587 -10.713 1.00 0.00 O ATOM 894 CB CYS A 896 7.856 9.262 -9.924 1.00 0.00 C ATOM 895 SG CYS A 896 6.205 8.816 -10.505 1.00 0.00 S ATOM 0 H CYS A 896 8.057 6.892 -9.655 1.00 0.00 H new ATOM 0 HA CYS A 896 8.956 8.725 -11.684 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.919 9.089 -8.850 1.00 0.00 H new ATOM 0 HB3 CYS A 896 8.020 10.328 -10.085 1.00 0.00 H new ATOM 0 HG CYS A 896 5.443 9.870 -10.498 1.00 0.00 H new ATOM 900 N VAL A 897 10.680 8.271 -8.946 1.00 0.00 N ATOM 901 CA VAL A 897 11.952 8.583 -8.307 1.00 0.00 C ATOM 902 C VAL A 897 13.044 7.550 -8.589 1.00 0.00 C ATOM 903 O VAL A 897 14.207 7.765 -8.235 1.00 0.00 O ATOM 904 CB VAL A 897 11.796 8.787 -6.790 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.928 9.998 -6.526 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.188 7.555 -6.144 1.00 0.00 C ATOM 0 H VAL A 897 10.108 7.594 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 897 12.275 9.522 -8.757 1.00 0.00 H new ATOM 0 HB VAL A 897 12.782 8.949 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.819 10.140 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.393 10.881 -6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.946 9.846 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.086 7.719 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.206 7.364 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.835 6.695 -6.319 1.00 0.00 H new ATOM 916 N GLY A 898 12.675 6.433 -9.174 1.00 0.00 N ATOM 917 CA GLY A 898 13.662 5.438 -9.541 1.00 0.00 C ATOM 918 C GLY A 898 13.711 4.276 -8.574 1.00 0.00 C ATOM 919 O GLY A 898 14.689 3.524 -8.534 1.00 0.00 O ATOM 0 H GLY A 898 11.711 6.190 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.440 5.064 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.645 5.908 -9.588 1.00 0.00 H new ATOM 923 N ILE A 899 12.674 4.124 -7.798 1.00 0.00 N ATOM 924 CA ILE A 899 12.590 3.034 -6.856 1.00 0.00 C ATOM 925 C ILE A 899 11.853 1.882 -7.535 1.00 0.00 C ATOM 926 O ILE A 899 10.860 2.101 -8.225 1.00 0.00 O ATOM 927 CB ILE A 899 11.846 3.461 -5.546 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.603 4.577 -4.802 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.623 2.273 -4.616 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.914 4.154 -4.173 1.00 0.00 C ATOM 0 H ILE A 899 11.866 4.746 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 899 13.595 2.728 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 899 10.874 3.849 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.799 5.390 -5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.955 4.976 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.104 2.607 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 899 11.020 1.521 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.585 1.841 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.370 5.009 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.730 3.364 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.587 3.785 -4.947 1.00 0.00 H new ATOM 942 N MET A 900 12.361 0.687 -7.401 1.00 0.00 N ATOM 943 CA MET A 900 11.706 -0.470 -8.003 1.00 0.00 C ATOM 944 C MET A 900 11.350 -1.505 -6.955 1.00 0.00 C ATOM 945 O MET A 900 10.475 -2.340 -7.164 1.00 0.00 O ATOM 946 CB MET A 900 12.571 -1.082 -9.115 1.00 0.00 C ATOM 947 CG MET A 900 13.933 -1.587 -8.670 1.00 0.00 C ATOM 948 SD MET A 900 14.921 -2.240 -10.037 1.00 0.00 S ATOM 949 CE MET A 900 15.108 -0.777 -11.070 1.00 0.00 C ATOM 0 H MET A 900 13.217 0.477 -6.888 1.00 0.00 H new ATOM 0 HA MET A 900 10.777 -0.125 -8.457 1.00 0.00 H new ATOM 0 HB2 MET A 900 12.023 -1.910 -9.565 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.715 -0.334 -9.895 1.00 0.00 H new ATOM 0 HG2 MET A 900 14.478 -0.774 -8.190 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.799 -2.367 -7.920 1.00 0.00 H new ATOM 0 HE1 MET A 900 15.947 -0.918 -11.751 1.00 0.00 H new ATOM 0 HE2 MET A 900 14.196 -0.619 -11.645 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.295 0.092 -10.439 1.00 0.00 H new ATOM 959 N ALA A 901 12.023 -1.435 -5.839 1.00 0.00 N ATOM 960 CA ALA A 901 11.809 -2.328 -4.738 1.00 0.00 C ATOM 961 C ALA A 901 11.884 -1.505 -3.481 1.00 0.00 C ATOM 962 O ALA A 901 12.540 -0.463 -3.483 1.00 0.00 O ATOM 963 CB ALA A 901 12.864 -3.419 -4.743 1.00 0.00 C ATOM 0 H ALA A 901 12.750 -0.740 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 901 10.838 -2.818 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.694 -4.093 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.804 -3.979 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.853 -2.969 -4.653 1.00 0.00 H new ATOM 969 N ALA A 902 11.232 -1.937 -2.437 1.00 0.00 N ATOM 970 CA ALA A 902 11.183 -1.168 -1.210 1.00 0.00 C ATOM 971 C ALA A 902 12.459 -1.335 -0.400 1.00 0.00 C ATOM 972 O ALA A 902 12.867 -2.461 -0.105 1.00 0.00 O ATOM 973 CB ALA A 902 9.972 -1.565 -0.381 1.00 0.00 C ATOM 0 H ALA A 902 10.723 -2.820 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 902 11.094 -0.116 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.951 -0.978 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.063 -1.378 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.033 -2.625 -0.132 1.00 0.00 H new ATOM 979 N PRO A 903 13.121 -0.226 -0.039 1.00 0.00 N ATOM 980 CA PRO A 903 14.314 -0.273 0.786 1.00 0.00 C ATOM 981 C PRO A 903 13.927 -0.433 2.275 1.00 0.00 C ATOM 982 O PRO A 903 12.743 -0.262 2.635 1.00 0.00 O ATOM 983 CB PRO A 903 14.963 1.096 0.523 1.00 0.00 C ATOM 984 CG PRO A 903 13.824 2.006 0.245 1.00 0.00 C ATOM 985 CD PRO A 903 12.753 1.167 -0.398 1.00 0.00 C ATOM 0 HA PRO A 903 14.977 -1.108 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.538 1.434 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.650 1.053 -0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 903 13.459 2.463 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.129 2.818 -0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 903 11.763 1.427 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.731 1.308 -1.479 1.00 0.00 H new ATOM 993 N PRO A 904 14.888 -0.772 3.157 1.00 0.00 N ATOM 994 CA PRO A 904 14.602 -0.933 4.571 1.00 0.00 C ATOM 995 C PRO A 904 14.228 0.398 5.200 1.00 0.00 C ATOM 996 O PRO A 904 14.789 1.446 4.846 1.00 0.00 O ATOM 997 CB PRO A 904 15.906 -1.437 5.189 1.00 0.00 C ATOM 998 CG PRO A 904 16.871 -1.640 4.068 1.00 0.00 C ATOM 999 CD PRO A 904 16.306 -0.996 2.840 1.00 0.00 C ATOM 0 HA PRO A 904 13.768 -1.615 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 904 16.296 -0.716 5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.741 -2.369 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.838 -1.203 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.037 -2.704 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.815 -0.059 2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.420 -1.639 1.967 1.00 0.00 H new ATOM 1007 N GLU A 905 13.312 0.374 6.145 1.00 0.00 N ATOM 1008 CA GLU A 905 12.875 1.603 6.789 1.00 0.00 C ATOM 1009 C GLU A 905 13.933 2.121 7.771 1.00 0.00 C ATOM 1010 O GLU A 905 13.820 3.218 8.304 1.00 0.00 O ATOM 1011 CB GLU A 905 11.533 1.416 7.482 1.00 0.00 C ATOM 1012 CG GLU A 905 11.560 0.491 8.677 1.00 0.00 C ATOM 1013 CD GLU A 905 10.206 0.352 9.290 1.00 0.00 C ATOM 1014 OE1 GLU A 905 9.587 1.379 9.626 1.00 0.00 O ATOM 1015 OE2 GLU A 905 9.724 -0.779 9.452 1.00 0.00 O ATOM 0 H GLU A 905 12.857 -0.473 6.485 1.00 0.00 H new ATOM 0 HA GLU A 905 12.746 2.354 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.167 2.391 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 905 10.816 1.030 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 905 11.925 -0.490 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 905 12.260 0.874 9.420 1.00 0.00 H new ATOM 1022 N GLU A 906 14.960 1.316 7.994 1.00 0.00 N ATOM 1023 CA GLU A 906 16.088 1.692 8.842 1.00 0.00 C ATOM 1024 C GLU A 906 17.050 2.570 8.048 1.00 0.00 C ATOM 1025 O GLU A 906 18.030 3.105 8.576 1.00 0.00 O ATOM 1026 CB GLU A 906 16.813 0.449 9.332 1.00 0.00 C ATOM 1027 CG GLU A 906 15.929 -0.507 10.102 1.00 0.00 C ATOM 1028 CD GLU A 906 15.318 0.130 11.324 1.00 0.00 C ATOM 1029 OE1 GLU A 906 16.046 0.400 12.294 1.00 0.00 O ATOM 1030 OE2 GLU A 906 14.093 0.393 11.328 1.00 0.00 O ATOM 0 H GLU A 906 15.038 0.381 7.593 1.00 0.00 H new ATOM 0 HA GLU A 906 15.717 2.245 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 906 17.239 -0.074 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 906 17.646 0.751 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.135 -0.869 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 906 16.514 -1.376 10.403 1.00 0.00 H new ATOM 1037 N MET A 907 16.770 2.684 6.781 1.00 0.00 N ATOM 1038 CA MET A 907 17.532 3.508 5.884 1.00 0.00 C ATOM 1039 C MET A 907 16.725 4.740 5.556 1.00 0.00 C ATOM 1040 O MET A 907 15.492 4.665 5.374 1.00 0.00 O ATOM 1041 CB MET A 907 17.863 2.726 4.605 1.00 0.00 C ATOM 1042 CG MET A 907 18.632 3.496 3.532 1.00 0.00 C ATOM 1043 SD MET A 907 20.226 4.119 4.102 1.00 0.00 S ATOM 1044 CE MET A 907 20.840 4.864 2.589 1.00 0.00 C ATOM 0 H MET A 907 15.992 2.199 6.334 1.00 0.00 H new ATOM 0 HA MET A 907 18.470 3.802 6.355 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.445 1.846 4.880 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.930 2.368 4.170 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.791 2.845 2.672 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.024 4.334 3.190 1.00 0.00 H new ATOM 0 HE1 MET A 907 21.823 5.298 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 907 20.917 4.102 1.813 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.153 5.645 2.263 1.00 0.00 H new ATOM 1054 N GLN A 908 17.386 5.857 5.500 1.00 0.00 N ATOM 1055 CA GLN A 908 16.727 7.095 5.163 1.00 0.00 C ATOM 1056 C GLN A 908 16.734 7.251 3.668 1.00 0.00 C ATOM 1057 O GLN A 908 17.463 6.539 2.977 1.00 0.00 O ATOM 1058 CB GLN A 908 17.380 8.305 5.830 1.00 0.00 C ATOM 1059 CG GLN A 908 17.365 8.252 7.346 1.00 0.00 C ATOM 1060 CD GLN A 908 17.894 9.511 7.999 1.00 0.00 C ATOM 1061 OE1 GLN A 908 17.648 10.644 7.393 1.00 0.00 O flip ATOM 1062 NE2 GLN A 908 18.494 9.458 9.078 1.00 0.00 N flip ATOM 0 H GLN A 908 18.386 5.942 5.683 1.00 0.00 H new ATOM 0 HA GLN A 908 15.704 7.052 5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.412 8.383 5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 908 16.867 9.209 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.344 8.077 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 908 17.961 7.402 7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 908 18.668 8.556 9.521 1.00 0.00 H new ATOM 0 HE22 GLN A 908 18.815 10.316 9.526 1.00 0.00 H new ATOM 1071 N TRP A 909 15.949 8.152 3.165 1.00 0.00 N ATOM 1072 CA TRP A 909 15.841 8.317 1.749 1.00 0.00 C ATOM 1073 C TRP A 909 15.377 9.710 1.430 1.00 0.00 C ATOM 1074 O TRP A 909 14.566 10.301 2.165 1.00 0.00 O ATOM 1075 CB TRP A 909 14.885 7.258 1.161 1.00 0.00 C ATOM 1076 CG TRP A 909 14.718 7.317 -0.326 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.463 6.666 -1.265 1.00 0.00 C ATOM 1078 CD2 TRP A 909 13.737 8.065 -1.037 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.000 6.971 -2.521 1.00 0.00 N ATOM 1080 CE2 TRP A 909 13.940 7.832 -2.404 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.706 8.912 -0.642 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.149 8.417 -3.374 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 11.924 9.492 -1.603 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.146 9.244 -2.953 1.00 0.00 C ATOM 0 H TRP A 909 15.371 8.787 3.716 1.00 0.00 H new ATOM 0 HA TRP A 909 16.820 8.173 1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.252 6.268 1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 909 13.906 7.374 1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.293 6.009 -1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.382 6.615 -3.397 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.526 9.108 0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.317 8.228 -4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.122 10.153 -1.309 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.510 9.717 -3.687 1.00 0.00 H new ATOM 1095 N PHE A 910 15.897 10.226 0.365 1.00 0.00 N ATOM 1096 CA PHE A 910 15.594 11.529 -0.115 1.00 0.00 C ATOM 1097 C PHE A 910 15.438 11.378 -1.604 1.00 0.00 C ATOM 1098 O PHE A 910 16.175 10.589 -2.215 1.00 0.00 O ATOM 1099 CB PHE A 910 16.754 12.492 0.206 1.00 0.00 C ATOM 1100 CG PHE A 910 17.126 12.541 1.664 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.478 13.389 2.527 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.115 11.711 2.167 1.00 0.00 C ATOM 1103 CE1 PHE A 910 16.803 13.419 3.862 1.00 0.00 C ATOM 1104 CE2 PHE A 910 18.439 11.726 3.503 1.00 0.00 C ATOM 1105 CZ PHE A 910 17.787 12.581 4.352 1.00 0.00 C ATOM 0 H PHE A 910 16.572 9.729 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 910 14.696 11.938 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.629 12.195 -0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.481 13.495 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.703 14.041 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 910 18.639 11.043 1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.290 14.097 4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.205 11.066 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.041 12.600 5.401 1.00 0.00 H new ATOM 1115 N CYS A 911 14.477 12.059 -2.182 1.00 0.00 N ATOM 1116 CA CYS A 911 14.214 11.963 -3.610 1.00 0.00 C ATOM 1117 C CYS A 911 15.443 12.442 -4.442 1.00 0.00 C ATOM 1118 O CYS A 911 16.344 13.078 -3.887 1.00 0.00 O ATOM 1119 CB CYS A 911 12.950 12.776 -3.921 1.00 0.00 C ATOM 1120 SG CYS A 911 13.074 14.531 -3.531 1.00 0.00 S ATOM 0 H CYS A 911 13.854 12.695 -1.684 1.00 0.00 H new ATOM 0 HA CYS A 911 14.047 10.924 -3.892 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.715 12.668 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.114 12.351 -3.365 1.00 0.00 H new ATOM 0 HG CYS A 911 12.092 14.873 -2.751 1.00 0.00 H new ATOM 1125 N PRO A 912 15.508 12.128 -5.773 1.00 0.00 N ATOM 1126 CA PRO A 912 16.626 12.521 -6.665 1.00 0.00 C ATOM 1127 C PRO A 912 17.056 13.998 -6.547 1.00 0.00 C ATOM 1128 O PRO A 912 18.194 14.340 -6.872 1.00 0.00 O ATOM 1129 CB PRO A 912 16.094 12.230 -8.083 1.00 0.00 C ATOM 1130 CG PRO A 912 14.659 11.850 -7.903 1.00 0.00 C ATOM 1131 CD PRO A 912 14.542 11.316 -6.511 1.00 0.00 C ATOM 0 HA PRO A 912 17.527 11.968 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 912 16.190 13.105 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.657 11.425 -8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 912 14.007 12.712 -8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 912 14.360 11.099 -8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.532 11.430 -6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.785 10.254 -6.463 1.00 0.00 H new ATOM 1139 N LYS A 913 16.142 14.862 -6.121 1.00 0.00 N ATOM 1140 CA LYS A 913 16.461 16.263 -5.883 1.00 0.00 C ATOM 1141 C LYS A 913 17.096 16.436 -4.510 1.00 0.00 C ATOM 1142 O LYS A 913 18.212 16.949 -4.386 1.00 0.00 O ATOM 1143 CB LYS A 913 15.215 17.136 -5.966 1.00 0.00 C ATOM 1144 CG LYS A 913 14.591 17.228 -7.339 1.00 0.00 C ATOM 1145 CD LYS A 913 13.328 18.059 -7.280 1.00 0.00 C ATOM 1146 CE LYS A 913 12.711 18.235 -8.644 1.00 0.00 C ATOM 1147 NZ LYS A 913 11.469 19.039 -8.591 1.00 0.00 N ATOM 0 H LYS A 913 15.170 14.615 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 913 17.162 16.575 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 913 14.471 16.748 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 913 15.471 18.141 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 913 15.297 17.674 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 913 14.362 16.229 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 913 12.609 17.581 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 913 13.555 19.037 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 913 13.428 18.719 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 913 12.492 17.257 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 11.077 19.136 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 10.774 18.565 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 11.682 19.982 -8.207 1.00 0.00 H new ATOM 1161 N CYS A 914 16.408 15.958 -3.488 1.00 0.00 N ATOM 1162 CA CYS A 914 16.852 16.130 -2.124 1.00 0.00 C ATOM 1163 C CYS A 914 18.132 15.376 -1.807 1.00 0.00 C ATOM 1164 O CYS A 914 18.925 15.818 -0.990 1.00 0.00 O ATOM 1165 CB CYS A 914 15.733 15.794 -1.149 1.00 0.00 C ATOM 1166 SG CYS A 914 14.393 17.003 -1.169 1.00 0.00 S ATOM 0 H CYS A 914 15.532 15.444 -3.583 1.00 0.00 H new ATOM 0 HA CYS A 914 17.104 17.184 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.331 14.810 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.143 15.731 -0.141 1.00 0.00 H new ATOM 0 HG CYS A 914 14.638 17.937 -0.298 1.00 0.00 H new ATOM 1171 N ALA A 915 18.342 14.275 -2.464 1.00 0.00 N ATOM 1172 CA ALA A 915 19.540 13.512 -2.243 1.00 0.00 C ATOM 1173 C ALA A 915 20.706 14.106 -3.022 1.00 0.00 C ATOM 1174 O ALA A 915 21.871 13.872 -2.703 1.00 0.00 O ATOM 1175 CB ALA A 915 19.323 12.057 -2.606 1.00 0.00 C ATOM 0 H ALA A 915 17.703 13.883 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 915 19.787 13.558 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.242 11.497 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.524 11.644 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 915 19.047 11.982 -3.658 1.00 0.00 H new ATOM 1181 N ASN A 916 20.388 14.894 -4.029 1.00 0.00 N ATOM 1182 CA ASN A 916 21.407 15.505 -4.855 1.00 0.00 C ATOM 1183 C ASN A 916 21.900 16.773 -4.209 1.00 0.00 C ATOM 1184 O ASN A 916 23.089 16.987 -4.116 1.00 0.00 O ATOM 1185 CB ASN A 916 20.886 15.828 -6.254 1.00 0.00 C ATOM 1186 CG ASN A 916 21.979 16.335 -7.190 1.00 0.00 C ATOM 1187 OD1 ASN A 916 23.141 15.951 -7.083 1.00 0.00 O ATOM 1188 ND2 ASN A 916 21.619 17.197 -8.100 1.00 0.00 N ATOM 0 H ASN A 916 19.431 15.126 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 916 22.223 14.788 -4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 916 20.432 14.934 -6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 916 20.100 16.580 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 916 22.311 17.572 -8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 916 20.646 17.496 -8.163 1.00 0.00 H new ATOM 1195 N LYS A 917 20.964 17.587 -3.703 1.00 0.00 N ATOM 1196 CA LYS A 917 21.272 18.908 -3.101 1.00 0.00 C ATOM 1197 C LYS A 917 22.305 18.817 -1.966 1.00 0.00 C ATOM 1198 O LYS A 917 23.020 19.773 -1.695 1.00 0.00 O ATOM 1199 CB LYS A 917 19.998 19.599 -2.599 1.00 0.00 C ATOM 1200 CG LYS A 917 19.326 18.903 -1.449 1.00 0.00 C ATOM 1201 CD LYS A 917 18.084 19.636 -1.024 1.00 0.00 C ATOM 1202 CE LYS A 917 17.390 18.931 0.114 1.00 0.00 C ATOM 1203 NZ LYS A 917 18.159 18.962 1.377 1.00 0.00 N ATOM 0 H LYS A 917 19.970 17.356 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 917 21.713 19.509 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.246 20.617 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.291 19.675 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 917 19.070 17.883 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.016 18.833 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 917 18.344 20.650 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.403 19.721 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 917 16.416 19.392 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.208 17.894 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 17.502 18.966 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 18.770 18.122 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 18.746 19.820 1.405 1.00 0.00 H new ATOM 1217 N ILE A 918 22.379 17.659 -1.330 1.00 0.00 N ATOM 1218 CA ILE A 918 23.338 17.410 -0.260 1.00 0.00 C ATOM 1219 C ILE A 918 24.766 17.574 -0.819 1.00 0.00 C ATOM 1220 O ILE A 918 25.631 18.210 -0.218 1.00 0.00 O ATOM 1221 CB ILE A 918 23.181 15.960 0.282 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.714 15.676 0.651 1.00 0.00 C ATOM 1223 CG2 ILE A 918 24.076 15.753 1.496 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.450 14.259 1.134 1.00 0.00 C ATOM 0 H ILE A 918 21.776 16.863 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 918 23.157 18.118 0.549 1.00 0.00 H new ATOM 0 HB ILE A 918 23.482 15.264 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.406 16.375 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 918 21.089 15.872 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.957 14.735 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 918 25.116 15.918 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.797 16.458 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.392 14.147 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 918 21.723 13.551 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 918 22.045 14.062 2.026 1.00 0.00 H new