USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=21 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 -160:sc= 0.929 USER MOD Set 1.2: A 873 CYS SG : rot -74:sc= -1.55! USER MOD Set 1.3: A 882 MET CE :methyl -163:sc= -0.423 (180deg=-0.266) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -0.0636 K(o=-4.8,f=-8.4!) USER MOD Set 1.5: A 896 CYS SG : rot -145:sc= -3.69! USER MOD Set 2.1: A 885 CYS SG : rot 146:sc= 1.83 USER MOD Set 2.2: A 888 CYS SG : rot 21:sc= 1.06! USER MOD Set 2.3: A 892 TYR OH : rot 80:sc= 1.1 USER MOD Set 2.4: A 911 CYS SG : rot -130:sc= -0.535! USER MOD Set 2.5: A 913 LYS NZ :NH3+ -152:sc= 2.2 (180deg=-0.0275) USER MOD Set 2.6: A 914 CYS SG : rot 118:sc= 1.6! USER MOD Set 2.7: A 917 LYS NZ :NH3+ -158:sc= 1.92 (180deg=0.389) USER MOD Set 3.1: A 857 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 874 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 865 ASN : amide:sc= 0.0144 X(o=0.014,f=-0.23) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 80:sc= 0.835 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 157:sc= 0 (180deg=-0.233) USER MOD Single : A 908 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 916 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.28!) USER MOD Single : P 1 ALA N :NH3+ -141:sc= 2.43 (180deg=-1.02) USER MOD Single : P 3 THR OG1 : rot 180:sc= 0 USER MOD Single : P 5 GLN :FLIP amide:sc= -1.08 F(o=-2.5!,f=-1.1) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.692 5.906 4.325 1.00 0.00 N ATOM 2 CA ALA P 1 12.799 5.599 3.225 1.00 0.00 C ATOM 3 C ALA P 1 11.584 4.935 3.773 1.00 0.00 C ATOM 4 O ALA P 1 11.621 3.765 4.116 1.00 0.00 O ATOM 5 CB ALA P 1 13.465 4.653 2.222 1.00 0.00 C ATOM 0 H1 ALA P 1 14.133 6.834 4.165 1.00 0.00 H new ATOM 0 H2 ALA P 1 13.153 5.927 5.214 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.431 5.177 4.386 1.00 0.00 H new ATOM 0 HA ALA P 1 12.543 6.526 2.712 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.772 4.440 1.408 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.363 5.122 1.821 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.734 3.723 2.722 1.00 0.00 H new ATOM 13 N ARG P 2 10.517 5.678 3.914 1.00 0.00 N ATOM 14 CA ARG P 2 9.306 5.082 4.393 1.00 0.00 C ATOM 15 C ARG P 2 8.537 4.626 3.180 1.00 0.00 C ATOM 16 O ARG P 2 8.388 5.391 2.223 1.00 0.00 O ATOM 17 CB ARG P 2 8.480 6.067 5.228 1.00 0.00 C ATOM 18 CG ARG P 2 7.726 5.383 6.361 1.00 0.00 C ATOM 19 CD ARG P 2 6.979 6.366 7.263 1.00 0.00 C ATOM 20 NE ARG P 2 5.767 6.936 6.651 1.00 0.00 N ATOM 21 CZ ARG P 2 5.275 8.169 6.932 1.00 0.00 C ATOM 22 NH1 ARG P 2 6.014 9.044 7.599 1.00 0.00 N ATOM 23 NH2 ARG P 2 4.066 8.530 6.509 1.00 0.00 N ATOM 0 H ARG P 2 10.464 6.676 3.708 1.00 0.00 H new ATOM 0 HA ARG P 2 9.532 4.244 5.052 1.00 0.00 H new ATOM 0 HB2 ARG P 2 9.140 6.829 5.643 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.769 6.580 4.580 1.00 0.00 H new ATOM 0 HG2 ARG P 2 7.014 4.673 5.939 1.00 0.00 H new ATOM 0 HG3 ARG P 2 8.430 4.809 6.964 1.00 0.00 H new ATOM 0 HD2 ARG P 2 6.703 5.858 8.187 1.00 0.00 H new ATOM 0 HD3 ARG P 2 7.653 7.178 7.535 1.00 0.00 H new ATOM 0 HE ARG P 2 5.264 6.366 5.971 1.00 0.00 H new ATOM 0 HH11 ARG P 2 6.955 8.791 7.902 1.00 0.00 H new ATOM 0 HH12 ARG P 2 5.642 9.970 7.809 1.00 0.00 H new ATOM 0 HH21 ARG P 2 3.499 7.877 5.968 1.00 0.00 H new ATOM 0 HH22 ARG P 2 3.706 9.459 6.726 1.00 0.00 H new ATOM 37 N THR P 3 8.129 3.402 3.169 1.00 0.00 N ATOM 38 CA THR P 3 7.420 2.865 2.047 1.00 0.00 C ATOM 39 C THR P 3 5.996 2.538 2.413 1.00 0.00 C ATOM 40 O THR P 3 5.734 2.000 3.485 1.00 0.00 O ATOM 41 CB THR P 3 8.142 1.624 1.493 1.00 0.00 C ATOM 42 OG1 THR P 3 8.555 0.765 2.582 1.00 0.00 O ATOM 43 CG2 THR P 3 9.353 2.038 0.669 1.00 0.00 C ATOM 0 H THR P 3 8.275 2.743 3.934 1.00 0.00 H new ATOM 0 HA THR P 3 7.398 3.625 1.266 1.00 0.00 H new ATOM 0 HB THR P 3 7.453 1.078 0.849 1.00 0.00 H new ATOM 0 HG1 THR P 3 9.012 -0.023 2.222 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.853 1.149 0.284 1.00 0.00 H new ATOM 0 HG22 THR P 3 9.030 2.662 -0.164 1.00 0.00 H new ATOM 0 HG23 THR P 3 10.045 2.600 1.296 1.00 0.00 H new ATOM 82 N GLN P 5 1.930 1.516 0.695 1.00 0.00 N ATOM 83 CA GLN P 5 1.083 1.092 -0.383 1.00 0.00 C ATOM 84 C GLN P 5 -0.268 0.870 0.244 1.00 0.00 C ATOM 85 O GLN P 5 -0.336 0.620 1.442 1.00 0.00 O ATOM 86 CB GLN P 5 1.572 -0.213 -1.040 1.00 0.00 C ATOM 87 CG GLN P 5 0.812 -0.546 -2.321 1.00 0.00 C ATOM 88 CD GLN P 5 1.183 -1.863 -2.960 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.396 -2.290 -2.792 1.00 0.00 O flip ATOM 90 NE2 GLN P 5 0.363 -2.489 -3.613 1.00 0.00 N flip ATOM 0 HA GLN P 5 1.072 1.840 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.635 -0.126 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.462 -1.035 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.255 -0.554 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN P 5 0.982 0.252 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.583 -2.126 -3.726 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.624 -3.375 -4.045 1.00 0.00 H new ATOM 99 N THR P 6 -1.319 1.014 -0.492 1.00 0.00 N ATOM 100 CA THR P 6 -2.619 0.749 0.036 1.00 0.00 C ATOM 101 C THR P 6 -3.418 -0.063 -0.960 1.00 0.00 C ATOM 102 O THR P 6 -4.205 0.472 -1.763 1.00 0.00 O ATOM 103 CB THR P 6 -3.382 2.028 0.428 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.570 2.803 1.327 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.693 1.660 1.121 1.00 0.00 C ATOM 0 H THR P 6 -1.305 1.315 -1.466 1.00 0.00 H new ATOM 0 HA THR P 6 -2.485 0.179 0.955 1.00 0.00 H new ATOM 0 HB THR P 6 -3.602 2.607 -0.469 1.00 0.00 H new ATOM 0 HG1 THR P 6 -3.049 3.620 1.579 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.227 2.570 1.395 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.309 1.068 0.444 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.480 1.080 2.019 1.00 0.00 H new ATOM 301 N TYR A 857 -0.514 19.615 -2.695 1.00 0.00 N ATOM 302 CA TYR A 857 -0.433 18.275 -3.241 1.00 0.00 C ATOM 303 C TYR A 857 -1.236 17.270 -2.438 1.00 0.00 C ATOM 304 O TYR A 857 -1.582 16.211 -2.942 1.00 0.00 O ATOM 305 CB TYR A 857 1.017 17.835 -3.406 1.00 0.00 C ATOM 306 CG TYR A 857 1.747 18.578 -4.501 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.314 19.823 -4.281 1.00 0.00 C ATOM 308 CD2 TYR A 857 1.849 18.032 -5.761 1.00 0.00 C ATOM 309 CE1 TYR A 857 2.965 20.494 -5.294 1.00 0.00 C ATOM 310 CE2 TYR A 857 2.496 18.691 -6.780 1.00 0.00 C ATOM 311 CZ TYR A 857 3.050 19.920 -6.542 1.00 0.00 C ATOM 312 OH TYR A 857 3.692 20.578 -7.551 1.00 0.00 O ATOM 0 HA TYR A 857 -0.887 18.308 -4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 857 1.544 17.983 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.043 16.767 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 857 2.245 20.274 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 857 1.411 17.064 -5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 857 3.405 21.463 -5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 857 2.566 18.243 -7.760 1.00 0.00 H new ATOM 0 HH TYR A 857 3.663 20.035 -8.366 1.00 0.00 H new ATOM 322 N VAL A 858 -1.504 17.577 -1.196 1.00 0.00 N ATOM 323 CA VAL A 858 -2.388 16.742 -0.412 1.00 0.00 C ATOM 324 C VAL A 858 -3.807 17.244 -0.598 1.00 0.00 C ATOM 325 O VAL A 858 -4.117 18.392 -0.277 1.00 0.00 O ATOM 326 CB VAL A 858 -2.046 16.734 1.111 1.00 0.00 C ATOM 327 CG1 VAL A 858 -3.034 15.866 1.888 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.645 16.233 1.344 1.00 0.00 C ATOM 0 H VAL A 858 -1.130 18.389 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 858 -2.268 15.718 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 858 -2.120 17.761 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.774 15.877 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -4.043 16.258 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.991 14.843 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.430 16.237 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.553 15.217 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.064 16.882 0.829 1.00 0.00 H new ATOM 338 N ILE A 859 -4.638 16.427 -1.145 1.00 0.00 N ATOM 339 CA ILE A 859 -6.026 16.766 -1.315 1.00 0.00 C ATOM 340 C ILE A 859 -6.831 15.661 -0.697 1.00 0.00 C ATOM 341 O ILE A 859 -6.266 14.654 -0.297 1.00 0.00 O ATOM 342 CB ILE A 859 -6.438 16.909 -2.816 1.00 0.00 C ATOM 343 CG1 ILE A 859 -6.273 15.568 -3.559 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.624 18.016 -3.500 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.781 15.578 -4.982 1.00 0.00 C ATOM 0 H ILE A 859 -4.384 15.502 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 859 -6.206 17.732 -0.843 1.00 0.00 H new ATOM 0 HB ILE A 859 -7.491 17.189 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -5.217 15.297 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.799 14.791 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.927 18.098 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.803 18.965 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.563 17.772 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.626 14.597 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.845 15.816 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -6.239 16.329 -5.557 1.00 0.00 H new ATOM 357 N ARG A 860 -8.096 15.838 -0.563 1.00 0.00 N ATOM 358 CA ARG A 860 -8.925 14.755 -0.115 1.00 0.00 C ATOM 359 C ARG A 860 -9.629 14.174 -1.305 1.00 0.00 C ATOM 360 O ARG A 860 -9.862 14.876 -2.292 1.00 0.00 O ATOM 361 CB ARG A 860 -9.939 15.199 0.929 1.00 0.00 C ATOM 362 CG ARG A 860 -9.333 15.663 2.237 1.00 0.00 C ATOM 363 CD ARG A 860 -10.410 16.180 3.170 1.00 0.00 C ATOM 364 NE ARG A 860 -11.179 17.277 2.559 1.00 0.00 N ATOM 365 CZ ARG A 860 -12.519 17.373 2.567 1.00 0.00 C ATOM 366 NH1 ARG A 860 -13.241 16.556 3.335 1.00 0.00 N ATOM 367 NH2 ARG A 860 -13.127 18.331 1.863 1.00 0.00 N ATOM 0 H ARG A 860 -8.586 16.712 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.291 14.007 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.538 16.009 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.619 14.371 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.800 14.838 2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -8.601 16.448 2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.085 15.366 3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -9.953 16.528 4.096 1.00 0.00 H new ATOM 0 HE ARG A 860 -10.655 18.019 2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.776 15.859 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -14.258 16.629 3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -12.574 18.992 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -14.145 18.402 1.871 1.00 0.00 H new ATOM 381 N ASP A 861 -9.922 12.907 -1.248 1.00 0.00 N ATOM 382 CA ASP A 861 -10.668 12.258 -2.307 1.00 0.00 C ATOM 383 C ASP A 861 -12.156 12.489 -2.039 1.00 0.00 C ATOM 384 O ASP A 861 -12.511 13.287 -1.153 1.00 0.00 O ATOM 385 CB ASP A 861 -10.356 10.746 -2.361 1.00 0.00 C ATOM 386 CG ASP A 861 -11.112 9.921 -1.343 1.00 0.00 C ATOM 387 OD1 ASP A 861 -10.939 10.113 -0.140 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.939 9.110 -1.757 1.00 0.00 O ATOM 0 H ASP A 861 -9.657 12.293 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.384 12.679 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -10.588 10.374 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.287 10.601 -2.208 1.00 0.00 H new ATOM 393 N GLU A 862 -13.011 11.819 -2.770 1.00 0.00 N ATOM 394 CA GLU A 862 -14.445 11.965 -2.597 1.00 0.00 C ATOM 395 C GLU A 862 -14.908 11.479 -1.207 1.00 0.00 C ATOM 396 O GLU A 862 -15.902 11.981 -0.664 1.00 0.00 O ATOM 397 CB GLU A 862 -15.191 11.229 -3.709 1.00 0.00 C ATOM 398 CG GLU A 862 -14.926 9.736 -3.768 1.00 0.00 C ATOM 399 CD GLU A 862 -15.626 9.084 -4.923 1.00 0.00 C ATOM 400 OE1 GLU A 862 -16.868 8.969 -4.896 1.00 0.00 O ATOM 401 OE2 GLU A 862 -14.952 8.680 -5.901 1.00 0.00 O ATOM 0 H GLU A 862 -12.741 11.159 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.681 13.027 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.261 11.390 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.917 11.671 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -13.853 9.562 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.254 9.273 -2.837 1.00 0.00 H new ATOM 408 N TRP A 863 -14.184 10.522 -0.630 1.00 0.00 N ATOM 409 CA TRP A 863 -14.541 9.985 0.671 1.00 0.00 C ATOM 410 C TRP A 863 -13.877 10.752 1.816 1.00 0.00 C ATOM 411 O TRP A 863 -14.205 10.537 2.986 1.00 0.00 O ATOM 412 CB TRP A 863 -14.227 8.498 0.768 1.00 0.00 C ATOM 413 CG TRP A 863 -14.893 7.676 -0.279 1.00 0.00 C ATOM 414 CD1 TRP A 863 -16.179 7.754 -0.668 1.00 0.00 C ATOM 415 CD2 TRP A 863 -14.303 6.636 -1.044 1.00 0.00 C ATOM 416 NE1 TRP A 863 -16.437 6.833 -1.658 1.00 0.00 N ATOM 417 CE2 TRP A 863 -15.291 6.130 -1.903 1.00 0.00 C ATOM 418 CE3 TRP A 863 -13.034 6.096 -1.087 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -15.042 5.097 -2.797 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -12.779 5.067 -1.972 1.00 0.00 C ATOM 421 CH2 TRP A 863 -13.779 4.578 -2.816 1.00 0.00 C ATOM 0 H TRP A 863 -13.350 10.107 -1.045 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.619 10.113 0.773 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.148 8.358 0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.530 8.135 1.750 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -16.906 8.442 -0.261 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -17.332 6.698 -2.129 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -12.254 6.471 -0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -15.815 4.720 -3.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -11.791 4.633 -2.012 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -13.548 3.773 -3.498 1.00 0.00 H new ATOM 432 N GLY A 864 -12.925 11.610 1.493 1.00 0.00 N ATOM 433 CA GLY A 864 -12.320 12.455 2.510 1.00 0.00 C ATOM 434 C GLY A 864 -10.963 11.966 2.989 1.00 0.00 C ATOM 435 O GLY A 864 -10.468 12.409 4.033 1.00 0.00 O ATOM 0 H GLY A 864 -12.558 11.740 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.212 13.464 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.994 12.519 3.364 1.00 0.00 H new ATOM 439 N ASN A 865 -10.356 11.082 2.241 1.00 0.00 N ATOM 440 CA ASN A 865 -9.053 10.534 2.592 1.00 0.00 C ATOM 441 C ASN A 865 -7.993 11.403 1.975 1.00 0.00 C ATOM 442 O ASN A 865 -8.227 12.009 0.929 1.00 0.00 O ATOM 443 CB ASN A 865 -8.882 9.094 2.064 1.00 0.00 C ATOM 444 CG ASN A 865 -9.961 8.138 2.536 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.844 7.507 3.591 1.00 0.00 O ATOM 446 ND2 ASN A 865 -11.014 8.019 1.768 1.00 0.00 N ATOM 0 H ASN A 865 -10.742 10.716 1.371 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.967 10.511 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.879 9.114 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.910 8.714 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.771 7.390 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.078 8.556 0.903 1.00 0.00 H new ATOM 453 N GLN A 866 -6.851 11.488 2.610 1.00 0.00 N ATOM 454 CA GLN A 866 -5.757 12.278 2.091 1.00 0.00 C ATOM 455 C GLN A 866 -5.106 11.593 0.924 1.00 0.00 C ATOM 456 O GLN A 866 -4.630 10.456 1.026 1.00 0.00 O ATOM 457 CB GLN A 866 -4.728 12.564 3.160 1.00 0.00 C ATOM 458 CG GLN A 866 -5.187 13.527 4.217 1.00 0.00 C ATOM 459 CD GLN A 866 -4.243 13.553 5.388 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.256 14.405 5.344 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -4.411 12.791 6.337 1.00 0.00 N flip ATOM 0 H GLN A 866 -6.652 11.018 3.493 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.174 13.227 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.447 11.625 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.831 12.963 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.266 14.527 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.184 13.246 4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -5.195 12.139 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -3.766 12.811 7.127 1.00 0.00 H new ATOM 470 N ILE A 867 -5.105 12.267 -0.165 1.00 0.00 N ATOM 471 CA ILE A 867 -4.517 11.800 -1.371 1.00 0.00 C ATOM 472 C ILE A 867 -3.310 12.650 -1.657 1.00 0.00 C ATOM 473 O ILE A 867 -3.416 13.874 -1.781 1.00 0.00 O ATOM 474 CB ILE A 867 -5.506 11.896 -2.568 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.794 11.106 -2.289 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.856 11.417 -3.863 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.582 9.627 -2.015 1.00 0.00 C ATOM 0 H ILE A 867 -5.527 13.192 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.246 10.751 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.770 12.947 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.300 11.552 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.462 11.212 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.572 11.496 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.985 12.034 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.546 10.378 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.544 9.150 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.107 9.161 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -5.942 9.507 -1.141 1.00 0.00 H new ATOM 489 N TRP A 868 -2.179 12.024 -1.705 1.00 0.00 N ATOM 490 CA TRP A 868 -0.954 12.696 -2.016 1.00 0.00 C ATOM 491 C TRP A 868 -0.722 12.696 -3.502 1.00 0.00 C ATOM 492 O TRP A 868 -0.805 11.648 -4.150 1.00 0.00 O ATOM 493 CB TRP A 868 0.235 12.022 -1.316 1.00 0.00 C ATOM 494 CG TRP A 868 0.431 12.401 0.124 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.345 13.287 0.593 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.279 11.915 1.280 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.265 13.386 1.957 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.276 12.561 2.407 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.322 11.008 1.477 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.174 12.323 3.702 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.767 10.777 2.764 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.195 11.432 3.860 1.00 0.00 C ATOM 0 H TRP A 868 -2.076 11.025 -1.529 1.00 0.00 H new ATOM 0 HA TRP A 868 -1.036 13.723 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.106 10.941 -1.376 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.144 12.265 -1.866 1.00 0.00 H new ATOM 0 HD1 TRP A 868 2.040 13.838 -0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.851 13.981 2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.772 10.497 0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.268 12.825 4.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.573 10.077 2.928 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.570 11.228 4.852 1.00 0.00 H new ATOM 513 N ILE A 869 -0.537 13.853 -4.054 1.00 0.00 N ATOM 514 CA ILE A 869 -0.119 13.963 -5.418 1.00 0.00 C ATOM 515 C ILE A 869 1.389 13.941 -5.437 1.00 0.00 C ATOM 516 O ILE A 869 2.036 14.724 -4.725 1.00 0.00 O ATOM 517 CB ILE A 869 -0.684 15.242 -6.167 1.00 0.00 C ATOM 518 CG1 ILE A 869 -2.174 15.099 -6.547 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.106 15.524 -7.439 1.00 0.00 C ATOM 520 CD1 ILE A 869 -3.150 14.912 -5.414 1.00 0.00 C ATOM 0 H ILE A 869 -0.670 14.744 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.534 13.120 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 869 -0.580 16.068 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -2.469 15.987 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -2.272 14.250 -7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.302 16.406 -7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.151 15.701 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 869 0.035 14.667 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -4.160 14.825 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.899 14.006 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -3.098 15.770 -4.744 1.00 0.00 H new ATOM 532 N CYS A 870 1.930 13.010 -6.194 1.00 0.00 N ATOM 533 CA CYS A 870 3.342 12.855 -6.331 1.00 0.00 C ATOM 534 C CYS A 870 3.891 14.035 -7.099 1.00 0.00 C ATOM 535 O CYS A 870 3.534 14.239 -8.260 1.00 0.00 O ATOM 536 CB CYS A 870 3.624 11.546 -7.093 1.00 0.00 C ATOM 537 SG CYS A 870 5.360 11.192 -7.528 1.00 0.00 S ATOM 0 H CYS A 870 1.385 12.337 -6.733 1.00 0.00 H new ATOM 0 HA CYS A 870 3.820 12.812 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.251 10.718 -6.491 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.041 11.559 -8.014 1.00 0.00 H new ATOM 0 HG CYS A 870 5.397 10.329 -8.500 1.00 0.00 H new ATOM 542 N PRO A 871 4.766 14.831 -6.489 1.00 0.00 N ATOM 543 CA PRO A 871 5.384 15.973 -7.152 1.00 0.00 C ATOM 544 C PRO A 871 6.423 15.548 -8.205 1.00 0.00 C ATOM 545 O PRO A 871 7.161 16.384 -8.736 1.00 0.00 O ATOM 546 CB PRO A 871 6.068 16.747 -6.021 1.00 0.00 C ATOM 547 CG PRO A 871 5.611 16.109 -4.751 1.00 0.00 C ATOM 548 CD PRO A 871 5.197 14.715 -5.089 1.00 0.00 C ATOM 0 HA PRO A 871 4.643 16.562 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.153 16.697 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.794 17.802 -6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.412 16.105 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.779 16.664 -4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.021 14.010 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.390 14.366 -4.445 1.00 0.00 H new ATOM 556 N GLY A 872 6.493 14.256 -8.476 1.00 0.00 N ATOM 557 CA GLY A 872 7.372 13.755 -9.492 1.00 0.00 C ATOM 558 C GLY A 872 6.671 13.634 -10.834 1.00 0.00 C ATOM 559 O GLY A 872 7.309 13.747 -11.895 1.00 0.00 O ATOM 0 H GLY A 872 5.945 13.540 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.231 14.419 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.755 12.779 -9.193 1.00 0.00 H new ATOM 563 N CYS A 873 5.368 13.419 -10.799 1.00 0.00 N ATOM 564 CA CYS A 873 4.592 13.244 -12.011 1.00 0.00 C ATOM 565 C CYS A 873 3.405 14.201 -12.054 1.00 0.00 C ATOM 566 O CYS A 873 2.912 14.550 -13.126 1.00 0.00 O ATOM 567 CB CYS A 873 4.084 11.818 -12.025 1.00 0.00 C ATOM 568 SG CYS A 873 3.184 11.382 -10.516 1.00 0.00 S ATOM 0 H CYS A 873 4.824 13.361 -9.938 1.00 0.00 H new ATOM 0 HA CYS A 873 5.219 13.454 -12.877 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.431 11.678 -12.886 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.926 11.138 -12.150 1.00 0.00 H new ATOM 0 HG CYS A 873 4.026 11.230 -9.537 1.00 0.00 H new ATOM 573 N ASN A 874 2.965 14.605 -10.868 1.00 0.00 N ATOM 574 CA ASN A 874 1.778 15.430 -10.652 1.00 0.00 C ATOM 575 C ASN A 874 0.517 14.598 -10.817 1.00 0.00 C ATOM 576 O ASN A 874 -0.574 15.104 -11.104 1.00 0.00 O ATOM 577 CB ASN A 874 1.762 16.735 -11.484 1.00 0.00 C ATOM 578 CG ASN A 874 2.836 17.713 -11.027 1.00 0.00 C ATOM 579 OD1 ASN A 874 2.608 18.540 -10.139 1.00 0.00 O ATOM 580 ND2 ASN A 874 4.000 17.638 -11.620 1.00 0.00 N ATOM 0 H ASN A 874 3.440 14.360 -9.999 1.00 0.00 H new ATOM 0 HA ASN A 874 1.814 15.779 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 874 1.913 16.496 -12.537 1.00 0.00 H new ATOM 0 HB3 ASN A 874 0.783 17.206 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 874 4.751 18.274 -11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 874 4.157 16.943 -12.350 1.00 0.00 H new ATOM 587 N LYS A 875 0.668 13.310 -10.592 1.00 0.00 N ATOM 588 CA LYS A 875 -0.435 12.391 -10.585 1.00 0.00 C ATOM 589 C LYS A 875 -0.712 11.998 -9.136 1.00 0.00 C ATOM 590 O LYS A 875 0.232 11.800 -8.350 1.00 0.00 O ATOM 591 CB LYS A 875 -0.101 11.147 -11.423 1.00 0.00 C ATOM 592 CG LYS A 875 0.208 11.464 -12.877 1.00 0.00 C ATOM 593 CD LYS A 875 0.793 10.265 -13.614 1.00 0.00 C ATOM 594 CE LYS A 875 1.172 10.637 -15.041 1.00 0.00 C ATOM 595 NZ LYS A 875 1.846 9.535 -15.759 1.00 0.00 N ATOM 0 H LYS A 875 1.571 12.874 -10.408 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.317 12.859 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.755 10.639 -10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.941 10.453 -11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.704 11.787 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.910 12.296 -12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.672 9.900 -13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 875 0.068 9.451 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 875 0.274 10.925 -15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.827 11.508 -15.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 2.081 9.842 -16.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 2.718 9.275 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 1.213 8.711 -15.803 1.00 0.00 H new ATOM 609 N PRO A 876 -1.986 11.938 -8.736 1.00 0.00 N ATOM 610 CA PRO A 876 -2.366 11.550 -7.386 1.00 0.00 C ATOM 611 C PRO A 876 -2.086 10.093 -7.104 1.00 0.00 C ATOM 612 O PRO A 876 -1.757 9.316 -8.005 1.00 0.00 O ATOM 613 CB PRO A 876 -3.866 11.821 -7.324 1.00 0.00 C ATOM 614 CG PRO A 876 -4.319 11.810 -8.724 1.00 0.00 C ATOM 615 CD PRO A 876 -3.153 12.257 -9.564 1.00 0.00 C ATOM 0 HA PRO A 876 -1.795 12.104 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.380 11.059 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.073 12.781 -6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.646 10.812 -9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.171 12.477 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -3.122 11.732 -10.519 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.206 13.322 -9.788 1.00 0.00 H new ATOM 623 N ASP A 877 -2.201 9.722 -5.877 1.00 0.00 N ATOM 624 CA ASP A 877 -1.973 8.363 -5.493 1.00 0.00 C ATOM 625 C ASP A 877 -3.284 7.594 -5.365 1.00 0.00 C ATOM 626 O ASP A 877 -4.304 8.145 -4.930 1.00 0.00 O ATOM 627 CB ASP A 877 -1.183 8.267 -4.206 1.00 0.00 C ATOM 628 CG ASP A 877 -1.014 6.833 -3.810 1.00 0.00 C ATOM 629 OD1 ASP A 877 -0.595 6.016 -4.664 1.00 0.00 O ATOM 630 OD2 ASP A 877 -1.433 6.469 -2.711 1.00 0.00 O ATOM 0 H ASP A 877 -2.454 10.345 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.381 7.907 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.207 8.734 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -1.696 8.813 -3.414 1.00 0.00 H new ATOM 635 N ASP A 878 -3.242 6.338 -5.733 1.00 0.00 N ATOM 636 CA ASP A 878 -4.408 5.451 -5.706 1.00 0.00 C ATOM 637 C ASP A 878 -4.266 4.450 -4.573 1.00 0.00 C ATOM 638 O ASP A 878 -5.128 3.580 -4.377 1.00 0.00 O ATOM 639 CB ASP A 878 -4.494 4.644 -7.004 1.00 0.00 C ATOM 640 CG ASP A 878 -4.547 5.470 -8.259 1.00 0.00 C ATOM 641 OD1 ASP A 878 -5.644 5.863 -8.683 1.00 0.00 O ATOM 642 OD2 ASP A 878 -3.484 5.699 -8.884 1.00 0.00 O ATOM 0 H ASP A 878 -2.392 5.884 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 878 -5.296 6.070 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.632 3.979 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -5.381 4.012 -6.964 1.00 0.00 H new ATOM 647 N GLY A 879 -3.196 4.573 -3.837 1.00 0.00 N ATOM 648 CA GLY A 879 -2.849 3.612 -2.839 1.00 0.00 C ATOM 649 C GLY A 879 -1.758 2.742 -3.390 1.00 0.00 C ATOM 650 O GLY A 879 -1.772 1.522 -3.240 1.00 0.00 O ATOM 0 H GLY A 879 -2.539 5.349 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.515 4.111 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.718 3.010 -2.572 1.00 0.00 H new ATOM 654 N SER A 880 -0.820 3.365 -4.027 1.00 0.00 N ATOM 655 CA SER A 880 0.221 2.678 -4.737 1.00 0.00 C ATOM 656 C SER A 880 1.483 2.669 -3.882 1.00 0.00 C ATOM 657 O SER A 880 1.523 3.324 -2.834 1.00 0.00 O ATOM 658 CB SER A 880 0.475 3.456 -6.033 1.00 0.00 C ATOM 659 OG SER A 880 -0.741 4.036 -6.505 1.00 0.00 O ATOM 0 H SER A 880 -0.751 4.382 -4.072 1.00 0.00 H new ATOM 0 HA SER A 880 -0.061 1.648 -4.958 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.215 4.237 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 880 0.887 2.790 -6.791 1.00 0.00 H new ATOM 0 HG SER A 880 -0.925 4.860 -6.008 1.00 0.00 H new ATOM 665 N PRO A 881 2.507 1.890 -4.267 1.00 0.00 N ATOM 666 CA PRO A 881 3.779 1.911 -3.587 1.00 0.00 C ATOM 667 C PRO A 881 4.449 3.268 -3.755 1.00 0.00 C ATOM 668 O PRO A 881 4.817 3.678 -4.875 1.00 0.00 O ATOM 669 CB PRO A 881 4.592 0.812 -4.279 1.00 0.00 C ATOM 670 CG PRO A 881 3.591 -0.030 -4.965 1.00 0.00 C ATOM 671 CD PRO A 881 2.499 0.902 -5.363 1.00 0.00 C ATOM 0 HA PRO A 881 3.687 1.745 -2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.304 1.235 -4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 881 5.167 0.232 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.023 -0.524 -5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.218 -0.814 -4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.694 1.367 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.539 0.392 -5.443 1.00 0.00 H new ATOM 679 N MET A 882 4.530 3.988 -2.677 1.00 0.00 N ATOM 680 CA MET A 882 5.138 5.297 -2.688 1.00 0.00 C ATOM 681 C MET A 882 6.296 5.283 -1.728 1.00 0.00 C ATOM 682 O MET A 882 6.363 4.414 -0.836 1.00 0.00 O ATOM 683 CB MET A 882 4.155 6.389 -2.243 1.00 0.00 C ATOM 684 CG MET A 882 2.790 6.354 -2.893 1.00 0.00 C ATOM 685 SD MET A 882 1.787 7.779 -2.432 1.00 0.00 S ATOM 686 CE MET A 882 2.421 9.004 -3.563 1.00 0.00 C ATOM 0 H MET A 882 4.180 3.692 -1.766 1.00 0.00 H new ATOM 0 HA MET A 882 5.456 5.520 -3.707 1.00 0.00 H new ATOM 0 HB2 MET A 882 4.024 6.315 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.607 7.361 -2.443 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.905 6.327 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.274 5.438 -2.604 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.136 9.998 -3.219 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.508 8.932 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 882 2.007 8.831 -4.556 1.00 0.00 H new ATOM 696 N ILE A 883 7.191 6.211 -1.881 1.00 0.00 N ATOM 697 CA ILE A 883 8.317 6.310 -1.007 1.00 0.00 C ATOM 698 C ILE A 883 8.371 7.723 -0.434 1.00 0.00 C ATOM 699 O ILE A 883 8.070 8.709 -1.133 1.00 0.00 O ATOM 700 CB ILE A 883 9.643 5.915 -1.722 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.796 5.799 -0.715 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.992 6.921 -2.821 1.00 0.00 C ATOM 703 CD1 ILE A 883 12.038 5.167 -1.294 1.00 0.00 C ATOM 0 H ILE A 883 7.160 6.919 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 883 8.201 5.600 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 883 9.494 4.940 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 883 11.044 6.793 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.463 5.211 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.922 6.623 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.190 6.946 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 883 10.113 7.912 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.812 5.117 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.806 4.160 -1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.395 5.767 -2.131 1.00 0.00 H new ATOM 715 N GLY A 884 8.645 7.805 0.834 1.00 0.00 N ATOM 716 CA GLY A 884 8.687 9.066 1.496 1.00 0.00 C ATOM 717 C GLY A 884 10.083 9.560 1.673 1.00 0.00 C ATOM 718 O GLY A 884 10.952 8.822 2.174 1.00 0.00 O ATOM 0 H GLY A 884 8.844 7.003 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 884 8.115 9.795 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.207 8.979 2.471 1.00 0.00 H new ATOM 722 N CYS A 885 10.304 10.783 1.238 1.00 0.00 N ATOM 723 CA CYS A 885 11.564 11.461 1.393 1.00 0.00 C ATOM 724 C CYS A 885 11.792 11.744 2.873 1.00 0.00 C ATOM 725 O CYS A 885 10.909 12.292 3.560 1.00 0.00 O ATOM 726 CB CYS A 885 11.539 12.769 0.549 1.00 0.00 C ATOM 727 SG CYS A 885 13.005 13.885 0.663 1.00 0.00 S ATOM 0 H CYS A 885 9.597 11.340 0.759 1.00 0.00 H new ATOM 0 HA CYS A 885 12.389 10.844 1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.408 12.492 -0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.658 13.341 0.840 1.00 0.00 H new ATOM 0 HG CYS A 885 13.207 14.455 -0.488 1.00 0.00 H new ATOM 732 N ASP A 886 12.948 11.358 3.367 1.00 0.00 N ATOM 733 CA ASP A 886 13.308 11.570 4.756 1.00 0.00 C ATOM 734 C ASP A 886 13.622 13.032 5.028 1.00 0.00 C ATOM 735 O ASP A 886 13.742 13.435 6.182 1.00 0.00 O ATOM 736 CB ASP A 886 14.504 10.690 5.185 1.00 0.00 C ATOM 737 CG ASP A 886 14.173 9.221 5.387 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.692 8.850 6.481 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.437 8.405 4.479 1.00 0.00 O ATOM 0 H ASP A 886 13.667 10.887 2.818 1.00 0.00 H new ATOM 0 HA ASP A 886 12.441 11.278 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.286 10.771 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 886 14.914 11.087 6.114 1.00 0.00 H new ATOM 744 N ASP A 887 13.764 13.827 3.975 1.00 0.00 N ATOM 745 CA ASP A 887 14.068 15.244 4.149 1.00 0.00 C ATOM 746 C ASP A 887 12.827 16.080 3.925 1.00 0.00 C ATOM 747 O ASP A 887 12.389 16.798 4.820 1.00 0.00 O ATOM 748 CB ASP A 887 15.185 15.712 3.213 1.00 0.00 C ATOM 749 CG ASP A 887 15.615 17.147 3.477 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.017 18.087 2.935 1.00 0.00 O ATOM 751 OD2 ASP A 887 16.582 17.360 4.230 1.00 0.00 O ATOM 0 H ASP A 887 13.676 13.523 3.006 1.00 0.00 H new ATOM 0 HA ASP A 887 14.416 15.375 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.046 15.053 3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.848 15.623 2.180 1.00 0.00 H new ATOM 756 N CYS A 888 12.246 15.968 2.741 1.00 0.00 N ATOM 757 CA CYS A 888 11.041 16.748 2.407 1.00 0.00 C ATOM 758 C CYS A 888 9.795 16.277 3.169 1.00 0.00 C ATOM 759 O CYS A 888 8.925 17.093 3.499 1.00 0.00 O ATOM 760 CB CYS A 888 10.727 16.684 0.896 1.00 0.00 C ATOM 761 SG CYS A 888 11.947 17.439 -0.208 1.00 0.00 S ATOM 0 H CYS A 888 12.576 15.355 1.996 1.00 0.00 H new ATOM 0 HA CYS A 888 11.271 17.771 2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.612 15.637 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 888 9.765 17.168 0.725 1.00 0.00 H new ATOM 0 HG CYS A 888 13.091 17.523 0.403 1.00 0.00 H new ATOM 766 N ASP A 889 9.736 14.975 3.451 1.00 0.00 N ATOM 767 CA ASP A 889 8.527 14.316 3.973 1.00 0.00 C ATOM 768 C ASP A 889 7.419 14.516 2.977 1.00 0.00 C ATOM 769 O ASP A 889 6.501 15.331 3.143 1.00 0.00 O ATOM 770 CB ASP A 889 8.110 14.750 5.392 1.00 0.00 C ATOM 771 CG ASP A 889 6.862 14.024 5.872 1.00 0.00 C ATOM 772 OD1 ASP A 889 6.932 12.798 6.138 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.797 14.655 5.992 1.00 0.00 O ATOM 0 H ASP A 889 10.525 14.341 3.325 1.00 0.00 H new ATOM 0 HA ASP A 889 8.756 13.257 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.929 14.557 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.930 15.825 5.403 1.00 0.00 H new ATOM 778 N ASP A 890 7.576 13.858 1.889 1.00 0.00 N ATOM 779 CA ASP A 890 6.693 13.994 0.778 1.00 0.00 C ATOM 780 C ASP A 890 6.582 12.632 0.176 1.00 0.00 C ATOM 781 O ASP A 890 7.467 11.787 0.410 1.00 0.00 O ATOM 782 CB ASP A 890 7.299 14.978 -0.226 1.00 0.00 C ATOM 783 CG ASP A 890 6.324 15.539 -1.224 1.00 0.00 C ATOM 784 OD1 ASP A 890 5.274 14.928 -1.488 1.00 0.00 O ATOM 785 OD2 ASP A 890 6.605 16.640 -1.756 1.00 0.00 O ATOM 0 H ASP A 890 8.336 13.195 1.737 1.00 0.00 H new ATOM 0 HA ASP A 890 5.714 14.374 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.751 15.804 0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 890 8.102 14.476 -0.766 1.00 0.00 H new ATOM 790 N TRP A 891 5.570 12.413 -0.586 1.00 0.00 N ATOM 791 CA TRP A 891 5.290 11.116 -1.106 1.00 0.00 C ATOM 792 C TRP A 891 5.384 11.079 -2.587 1.00 0.00 C ATOM 793 O TRP A 891 4.559 11.648 -3.301 1.00 0.00 O ATOM 794 CB TRP A 891 3.955 10.582 -0.592 1.00 0.00 C ATOM 795 CG TRP A 891 4.046 10.221 0.843 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.668 10.962 1.917 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.610 9.028 1.356 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.973 10.288 3.072 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.553 9.098 2.747 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.159 7.908 0.764 1.00 0.00 C ATOM 801 CZ2 TRP A 891 5.032 8.085 3.553 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.635 6.902 1.562 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.570 6.996 2.949 1.00 0.00 C ATOM 0 H TRP A 891 4.906 13.133 -0.870 1.00 0.00 H new ATOM 0 HA TRP A 891 6.062 10.443 -0.734 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.179 11.335 -0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.661 9.708 -1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.199 11.934 1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.795 10.622 4.019 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.212 7.827 -0.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.980 8.157 4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 6.067 6.022 1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.954 6.189 3.555 1.00 0.00 H new ATOM 814 N TYR A 892 6.399 10.417 -3.041 1.00 0.00 N ATOM 815 CA TYR A 892 6.665 10.276 -4.428 1.00 0.00 C ATOM 816 C TYR A 892 6.391 8.843 -4.808 1.00 0.00 C ATOM 817 O TYR A 892 6.603 7.933 -3.994 1.00 0.00 O ATOM 818 CB TYR A 892 8.137 10.614 -4.704 1.00 0.00 C ATOM 819 CG TYR A 892 8.557 11.987 -4.211 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.307 13.121 -4.962 1.00 0.00 C ATOM 821 CD2 TYR A 892 9.176 12.148 -2.973 1.00 0.00 C ATOM 822 CE1 TYR A 892 8.661 14.372 -4.500 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.515 13.401 -2.509 1.00 0.00 C ATOM 824 CZ TYR A 892 9.256 14.500 -3.277 1.00 0.00 C ATOM 825 OH TYR A 892 9.548 15.744 -2.793 1.00 0.00 O ATOM 0 H TYR A 892 7.079 9.950 -2.441 1.00 0.00 H new ATOM 0 HA TYR A 892 6.036 10.949 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.767 9.861 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.318 10.553 -5.777 1.00 0.00 H new ATOM 0 HD1 TYR A 892 7.827 13.026 -5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 892 9.393 11.279 -2.369 1.00 0.00 H new ATOM 0 HE1 TYR A 892 8.468 15.247 -5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.983 13.513 -1.542 1.00 0.00 H new ATOM 0 HH TYR A 892 8.737 16.149 -2.421 1.00 0.00 H new ATOM 835 N HIS A 893 5.895 8.625 -5.991 1.00 0.00 N ATOM 836 CA HIS A 893 5.674 7.260 -6.452 1.00 0.00 C ATOM 837 C HIS A 893 7.005 6.643 -6.801 1.00 0.00 C ATOM 838 O HIS A 893 7.954 7.353 -7.148 1.00 0.00 O ATOM 839 CB HIS A 893 4.765 7.172 -7.687 1.00 0.00 C ATOM 840 CG HIS A 893 3.357 7.628 -7.508 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.863 8.695 -8.224 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.365 7.098 -6.751 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.571 8.781 -7.881 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.240 7.839 -6.998 1.00 0.00 N ATOM 0 H HIS A 893 5.635 9.354 -6.655 1.00 0.00 H new ATOM 0 HA HIS A 893 5.175 6.730 -5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.216 7.761 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.748 6.136 -8.026 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.372 9.292 -8.876 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.446 6.254 -6.082 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.885 9.519 -8.270 1.00 0.00 H new ATOM 852 N TRP A 894 7.065 5.343 -6.743 1.00 0.00 N ATOM 853 CA TRP A 894 8.273 4.610 -7.042 1.00 0.00 C ATOM 854 C TRP A 894 8.794 4.863 -8.470 1.00 0.00 C ATOM 855 O TRP A 894 9.923 5.353 -8.624 1.00 0.00 O ATOM 856 CB TRP A 894 8.104 3.117 -6.780 1.00 0.00 C ATOM 857 CG TRP A 894 8.075 2.718 -5.348 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.151 3.519 -4.244 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.996 1.390 -4.875 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.114 2.747 -3.108 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.013 1.436 -3.473 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.905 0.160 -5.511 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.937 0.290 -2.699 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.833 -0.972 -4.752 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.848 -0.908 -3.357 1.00 0.00 C ATOM 0 H TRP A 894 6.274 4.753 -6.485 1.00 0.00 H new ATOM 0 HA TRP A 894 9.032 4.993 -6.359 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.178 2.786 -7.250 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.919 2.585 -7.271 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.228 4.596 -4.261 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.155 3.096 -2.150 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.891 0.099 -6.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.947 0.339 -1.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.763 -1.934 -5.238 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.788 -1.822 -2.785 1.00 0.00 H new ATOM 876 N PRO A 895 7.984 4.589 -9.553 1.00 0.00 N ATOM 877 CA PRO A 895 8.450 4.763 -10.936 1.00 0.00 C ATOM 878 C PRO A 895 8.824 6.213 -11.266 1.00 0.00 C ATOM 879 O PRO A 895 9.604 6.472 -12.182 1.00 0.00 O ATOM 880 CB PRO A 895 7.260 4.304 -11.795 1.00 0.00 C ATOM 881 CG PRO A 895 6.080 4.412 -10.893 1.00 0.00 C ATOM 882 CD PRO A 895 6.590 4.073 -9.530 1.00 0.00 C ATOM 0 HA PRO A 895 9.362 4.194 -11.116 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.143 4.933 -12.678 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.397 3.282 -12.148 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.659 5.417 -10.916 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.289 3.727 -11.198 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.997 4.548 -8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.561 2.999 -9.344 1.00 0.00 H new ATOM 890 N CYS A 896 8.295 7.129 -10.499 1.00 0.00 N ATOM 891 CA CYS A 896 8.523 8.525 -10.693 1.00 0.00 C ATOM 892 C CYS A 896 9.932 8.941 -10.227 1.00 0.00 C ATOM 893 O CYS A 896 10.592 9.771 -10.865 1.00 0.00 O ATOM 894 CB CYS A 896 7.435 9.271 -9.941 1.00 0.00 C ATOM 895 SG CYS A 896 5.762 8.731 -10.404 1.00 0.00 S ATOM 0 H CYS A 896 7.684 6.916 -9.710 1.00 0.00 H new ATOM 0 HA CYS A 896 8.480 8.771 -11.754 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.575 9.126 -8.870 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.533 10.339 -10.134 1.00 0.00 H new ATOM 0 HG CYS A 896 4.955 9.750 -10.382 1.00 0.00 H new ATOM 900 N VAL A 897 10.397 8.351 -9.148 1.00 0.00 N ATOM 901 CA VAL A 897 11.709 8.705 -8.609 1.00 0.00 C ATOM 902 C VAL A 897 12.796 7.695 -8.961 1.00 0.00 C ATOM 903 O VAL A 897 13.986 7.966 -8.773 1.00 0.00 O ATOM 904 CB VAL A 897 11.675 8.937 -7.087 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.857 10.172 -6.770 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.102 7.724 -6.371 1.00 0.00 C ATOM 0 H VAL A 897 9.899 7.631 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 897 11.967 9.646 -9.094 1.00 0.00 H new ATOM 0 HB VAL A 897 12.696 9.089 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.838 10.329 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.305 11.039 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.839 10.038 -7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.087 7.909 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.086 7.541 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.721 6.852 -6.580 1.00 0.00 H new ATOM 916 N GLY A 898 12.398 6.541 -9.453 1.00 0.00 N ATOM 917 CA GLY A 898 13.370 5.540 -9.846 1.00 0.00 C ATOM 918 C GLY A 898 13.437 4.379 -8.881 1.00 0.00 C ATOM 919 O GLY A 898 14.400 3.616 -8.875 1.00 0.00 O ATOM 0 H GLY A 898 11.423 6.274 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.120 5.167 -10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.354 6.004 -9.918 1.00 0.00 H new ATOM 923 N ILE A 899 12.421 4.229 -8.083 1.00 0.00 N ATOM 924 CA ILE A 899 12.359 3.142 -7.138 1.00 0.00 C ATOM 925 C ILE A 899 11.553 2.011 -7.766 1.00 0.00 C ATOM 926 O ILE A 899 10.532 2.254 -8.396 1.00 0.00 O ATOM 927 CB ILE A 899 11.710 3.597 -5.795 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.561 4.676 -5.104 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.486 2.420 -4.852 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.899 4.201 -4.601 1.00 0.00 C ATOM 0 H ILE A 899 11.613 4.851 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 899 13.369 2.802 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 899 10.738 4.025 -6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.722 5.495 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.996 5.081 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.032 2.776 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.824 1.695 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.442 1.946 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.426 5.031 -4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.752 3.404 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.489 3.824 -5.437 1.00 0.00 H new ATOM 942 N MET A 900 12.047 0.813 -7.670 1.00 0.00 N ATOM 943 CA MET A 900 11.365 -0.341 -8.214 1.00 0.00 C ATOM 944 C MET A 900 11.018 -1.323 -7.113 1.00 0.00 C ATOM 945 O MET A 900 10.086 -2.130 -7.252 1.00 0.00 O ATOM 946 CB MET A 900 12.246 -1.018 -9.256 1.00 0.00 C ATOM 947 CG MET A 900 12.587 -0.137 -10.440 1.00 0.00 C ATOM 948 SD MET A 900 11.141 0.270 -11.454 1.00 0.00 S ATOM 949 CE MET A 900 11.900 1.313 -12.703 1.00 0.00 C ATOM 0 H MET A 900 12.934 0.600 -7.214 1.00 0.00 H new ATOM 0 HA MET A 900 10.440 -0.009 -8.686 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.171 -1.343 -8.779 1.00 0.00 H new ATOM 0 HB3 MET A 900 11.741 -1.914 -9.616 1.00 0.00 H new ATOM 0 HG2 MET A 900 13.044 0.785 -10.081 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.329 -0.640 -11.060 1.00 0.00 H new ATOM 0 HE1 MET A 900 11.139 1.648 -13.408 1.00 0.00 H new ATOM 0 HE2 MET A 900 12.358 2.179 -12.225 1.00 0.00 H new ATOM 0 HE3 MET A 900 12.664 0.746 -13.235 1.00 0.00 H new ATOM 959 N ALA A 901 11.751 -1.252 -6.026 1.00 0.00 N ATOM 960 CA ALA A 901 11.564 -2.135 -4.906 1.00 0.00 C ATOM 961 C ALA A 901 11.666 -1.342 -3.615 1.00 0.00 C ATOM 962 O ALA A 901 12.227 -0.258 -3.609 1.00 0.00 O ATOM 963 CB ALA A 901 12.589 -3.245 -4.951 1.00 0.00 C ATOM 0 H ALA A 901 12.500 -0.572 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 901 10.574 -2.589 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.442 -3.910 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.474 -3.809 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.591 -2.817 -4.909 1.00 0.00 H new ATOM 969 N ALA A 902 11.168 -1.888 -2.537 1.00 0.00 N ATOM 970 CA ALA A 902 11.095 -1.162 -1.279 1.00 0.00 C ATOM 971 C ALA A 902 12.366 -1.315 -0.446 1.00 0.00 C ATOM 972 O ALA A 902 12.723 -2.441 -0.053 1.00 0.00 O ATOM 973 CB ALA A 902 9.891 -1.633 -0.479 1.00 0.00 C ATOM 0 H ALA A 902 10.802 -2.839 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 902 10.990 -0.104 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.842 -1.085 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.981 -1.453 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.985 -2.699 -0.273 1.00 0.00 H new ATOM 979 N PRO A 903 13.073 -0.203 -0.163 1.00 0.00 N ATOM 980 CA PRO A 903 14.238 -0.231 0.684 1.00 0.00 C ATOM 981 C PRO A 903 13.824 -0.086 2.160 1.00 0.00 C ATOM 982 O PRO A 903 12.722 0.390 2.455 1.00 0.00 O ATOM 983 CB PRO A 903 15.061 0.986 0.221 1.00 0.00 C ATOM 984 CG PRO A 903 14.122 1.870 -0.548 1.00 0.00 C ATOM 985 CD PRO A 903 12.786 1.168 -0.628 1.00 0.00 C ATOM 0 HA PRO A 903 14.798 -1.163 0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.482 1.517 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.898 0.673 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.017 2.836 -0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.512 2.064 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.041 1.655 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.394 1.170 -1.645 1.00 0.00 H new ATOM 993 N PRO A 904 14.675 -0.496 3.101 1.00 0.00 N ATOM 994 CA PRO A 904 14.350 -0.435 4.526 1.00 0.00 C ATOM 995 C PRO A 904 14.337 1.003 5.051 1.00 0.00 C ATOM 996 O PRO A 904 15.034 1.872 4.519 1.00 0.00 O ATOM 997 CB PRO A 904 15.492 -1.220 5.179 1.00 0.00 C ATOM 998 CG PRO A 904 16.635 -1.076 4.235 1.00 0.00 C ATOM 999 CD PRO A 904 16.031 -1.027 2.860 1.00 0.00 C ATOM 0 HA PRO A 904 13.358 -0.833 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 904 15.737 -0.819 6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.224 -2.267 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.203 -0.169 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.326 -1.914 4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.603 -0.382 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.000 -2.014 2.399 1.00 0.00 H new ATOM 1007 N GLU A 905 13.573 1.241 6.113 1.00 0.00 N ATOM 1008 CA GLU A 905 13.500 2.566 6.742 1.00 0.00 C ATOM 1009 C GLU A 905 14.797 2.902 7.455 1.00 0.00 C ATOM 1010 O GLU A 905 15.043 4.052 7.819 1.00 0.00 O ATOM 1011 CB GLU A 905 12.353 2.646 7.716 1.00 0.00 C ATOM 1012 CG GLU A 905 10.990 2.515 7.091 1.00 0.00 C ATOM 1013 CD GLU A 905 9.894 2.701 8.100 1.00 0.00 C ATOM 1014 OE1 GLU A 905 9.783 3.804 8.681 1.00 0.00 O ATOM 1015 OE2 GLU A 905 9.138 1.747 8.366 1.00 0.00 O ATOM 0 H GLU A 905 12.991 0.533 6.561 1.00 0.00 H new ATOM 0 HA GLU A 905 13.334 3.292 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 905 12.473 1.861 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 905 12.407 3.599 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 905 10.882 3.253 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 905 10.895 1.533 6.628 1.00 0.00 H new ATOM 1022 N GLU A 906 15.602 1.873 7.672 1.00 0.00 N ATOM 1023 CA GLU A 906 16.939 2.016 8.240 1.00 0.00 C ATOM 1024 C GLU A 906 17.782 2.867 7.313 1.00 0.00 C ATOM 1025 O GLU A 906 18.626 3.652 7.743 1.00 0.00 O ATOM 1026 CB GLU A 906 17.589 0.658 8.380 1.00 0.00 C ATOM 1027 CG GLU A 906 16.838 -0.290 9.270 1.00 0.00 C ATOM 1028 CD GLU A 906 17.512 -1.619 9.351 1.00 0.00 C ATOM 1029 OE1 GLU A 906 18.561 -1.726 10.025 1.00 0.00 O ATOM 1030 OE2 GLU A 906 16.991 -2.591 8.764 1.00 0.00 O ATOM 0 H GLU A 906 15.347 0.909 7.459 1.00 0.00 H new ATOM 0 HA GLU A 906 16.863 2.485 9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 906 17.688 0.210 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 906 18.597 0.788 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 906 16.754 0.137 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 906 15.824 -0.418 8.892 1.00 0.00 H new ATOM 1037 N MET A 907 17.532 2.701 6.039 1.00 0.00 N ATOM 1038 CA MET A 907 18.182 3.475 5.041 1.00 0.00 C ATOM 1039 C MET A 907 17.370 4.703 4.820 1.00 0.00 C ATOM 1040 O MET A 907 16.136 4.638 4.656 1.00 0.00 O ATOM 1041 CB MET A 907 18.295 2.698 3.736 1.00 0.00 C ATOM 1042 CG MET A 907 18.863 3.490 2.557 1.00 0.00 C ATOM 1043 SD MET A 907 20.546 4.081 2.829 1.00 0.00 S ATOM 1044 CE MET A 907 20.805 4.996 1.300 1.00 0.00 C ATOM 0 H MET A 907 16.867 2.019 5.675 1.00 0.00 H new ATOM 0 HA MET A 907 19.191 3.725 5.370 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.925 1.825 3.904 1.00 0.00 H new ATOM 0 HB3 MET A 907 17.306 2.330 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.847 2.862 1.666 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.215 4.343 2.357 1.00 0.00 H new ATOM 0 HE1 MET A 907 21.585 5.743 1.451 1.00 0.00 H new ATOM 0 HE2 MET A 907 21.109 4.308 0.511 1.00 0.00 H new ATOM 0 HE3 MET A 907 19.878 5.492 1.011 1.00 0.00 H new ATOM 1054 N GLN A 908 18.015 5.796 4.831 1.00 0.00 N ATOM 1055 CA GLN A 908 17.347 7.026 4.595 1.00 0.00 C ATOM 1056 C GLN A 908 17.384 7.306 3.132 1.00 0.00 C ATOM 1057 O GLN A 908 18.341 6.955 2.444 1.00 0.00 O ATOM 1058 CB GLN A 908 17.927 8.175 5.400 1.00 0.00 C ATOM 1059 CG GLN A 908 17.852 7.958 6.908 1.00 0.00 C ATOM 1060 CD GLN A 908 18.358 9.138 7.717 1.00 0.00 C ATOM 1061 OE1 GLN A 908 18.183 10.338 7.207 1.00 0.00 O flip ATOM 1062 NE2 GLN A 908 18.892 8.966 8.811 1.00 0.00 N flip ATOM 0 H GLN A 908 19.017 5.875 5.002 1.00 0.00 H new ATOM 0 HA GLN A 908 16.314 6.934 4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.968 8.321 5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.395 9.092 5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.818 7.754 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.433 7.073 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 908 19.012 8.022 9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 908 19.215 9.768 9.353 1.00 0.00 H new ATOM 1071 N TRP A 909 16.371 7.910 2.663 1.00 0.00 N ATOM 1072 CA TRP A 909 16.216 8.150 1.270 1.00 0.00 C ATOM 1073 C TRP A 909 15.686 9.517 1.095 1.00 0.00 C ATOM 1074 O TRP A 909 14.814 9.963 1.847 1.00 0.00 O ATOM 1075 CB TRP A 909 15.275 7.108 0.635 1.00 0.00 C ATOM 1076 CG TRP A 909 15.018 7.293 -0.839 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.682 6.698 -1.868 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.011 8.123 -1.437 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.155 7.117 -3.071 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.134 7.996 -2.828 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.030 8.966 -0.921 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.305 8.682 -3.709 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.212 9.644 -1.788 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.353 9.502 -3.168 1.00 0.00 C ATOM 0 H TRP A 909 15.605 8.263 3.237 1.00 0.00 H new ATOM 0 HA TRP A 909 17.179 8.060 0.768 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.698 6.116 0.793 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.321 7.135 1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.500 6.001 -1.758 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.474 6.820 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.915 9.084 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.409 8.572 -4.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.447 10.298 -1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.695 10.052 -3.825 1.00 0.00 H new ATOM 1095 N PHE A 910 16.202 10.181 0.146 1.00 0.00 N ATOM 1096 CA PHE A 910 15.823 11.503 -0.138 1.00 0.00 C ATOM 1097 C PHE A 910 15.532 11.544 -1.608 1.00 0.00 C ATOM 1098 O PHE A 910 16.140 10.765 -2.375 1.00 0.00 O ATOM 1099 CB PHE A 910 16.977 12.447 0.228 1.00 0.00 C ATOM 1100 CG PHE A 910 17.518 12.220 1.613 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.840 12.686 2.716 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.693 11.508 1.804 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.316 12.452 3.986 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.178 11.276 3.069 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.485 11.744 4.162 1.00 0.00 C ATOM 0 H PHE A 910 16.922 9.812 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 910 14.949 11.819 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.783 12.320 -0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.634 13.478 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.924 13.242 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.233 11.131 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.774 12.823 4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 910 20.099 10.729 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.858 11.556 5.158 1.00 0.00 H new ATOM 1115 N CYS A 911 14.594 12.370 -2.007 1.00 0.00 N ATOM 1116 CA CYS A 911 14.234 12.484 -3.400 1.00 0.00 C ATOM 1117 C CYS A 911 15.427 13.015 -4.210 1.00 0.00 C ATOM 1118 O CYS A 911 16.391 13.523 -3.620 1.00 0.00 O ATOM 1119 CB CYS A 911 13.008 13.420 -3.534 1.00 0.00 C ATOM 1120 SG CYS A 911 13.263 15.125 -2.939 1.00 0.00 S ATOM 0 H CYS A 911 14.063 12.977 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 911 13.971 11.503 -3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.714 13.459 -4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.175 12.982 -2.985 1.00 0.00 H new ATOM 0 HG CYS A 911 12.293 15.455 -2.139 1.00 0.00 H new ATOM 1125 N PRO A 912 15.396 12.916 -5.562 1.00 0.00 N ATOM 1126 CA PRO A 912 16.444 13.475 -6.436 1.00 0.00 C ATOM 1127 C PRO A 912 16.756 14.963 -6.137 1.00 0.00 C ATOM 1128 O PRO A 912 17.799 15.475 -6.517 1.00 0.00 O ATOM 1129 CB PRO A 912 15.861 13.325 -7.856 1.00 0.00 C ATOM 1130 CG PRO A 912 14.443 12.885 -7.667 1.00 0.00 C ATOM 1131 CD PRO A 912 14.405 12.173 -6.353 1.00 0.00 C ATOM 0 HA PRO A 912 17.392 12.958 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.909 14.268 -8.401 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.424 12.593 -8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.766 13.739 -7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 912 14.127 12.227 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.414 12.209 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.672 11.121 -6.453 1.00 0.00 H new ATOM 1139 N LYS A 913 15.851 15.638 -5.446 1.00 0.00 N ATOM 1140 CA LYS A 913 16.062 17.015 -5.063 1.00 0.00 C ATOM 1141 C LYS A 913 16.936 17.071 -3.807 1.00 0.00 C ATOM 1142 O LYS A 913 17.909 17.826 -3.736 1.00 0.00 O ATOM 1143 CB LYS A 913 14.721 17.720 -4.795 1.00 0.00 C ATOM 1144 CG LYS A 913 13.777 17.749 -5.980 1.00 0.00 C ATOM 1145 CD LYS A 913 12.553 18.627 -5.709 1.00 0.00 C ATOM 1146 CE LYS A 913 11.803 18.231 -4.433 1.00 0.00 C ATOM 1147 NZ LYS A 913 11.392 16.816 -4.426 1.00 0.00 N ATOM 0 H LYS A 913 14.960 15.247 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 913 16.564 17.530 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 913 14.223 17.222 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 913 14.920 18.744 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 913 14.306 18.123 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 913 13.453 16.734 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 913 12.869 19.667 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.872 18.564 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 913 12.439 18.424 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.920 18.861 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 10.538 16.705 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 11.189 16.509 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 12.158 16.234 -4.032 1.00 0.00 H new ATOM 1161 N CYS A 914 16.618 16.232 -2.860 1.00 0.00 N ATOM 1162 CA CYS A 914 17.273 16.218 -1.582 1.00 0.00 C ATOM 1163 C CYS A 914 18.562 15.412 -1.550 1.00 0.00 C ATOM 1164 O CYS A 914 19.533 15.829 -0.940 1.00 0.00 O ATOM 1165 CB CYS A 914 16.286 15.772 -0.523 1.00 0.00 C ATOM 1166 SG CYS A 914 15.016 16.981 -0.244 1.00 0.00 S ATOM 0 H CYS A 914 15.886 15.529 -2.956 1.00 0.00 H new ATOM 0 HA CYS A 914 17.598 17.237 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.829 14.830 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.817 15.582 0.410 1.00 0.00 H new ATOM 0 HG CYS A 914 13.858 16.471 -0.542 1.00 0.00 H new ATOM 1171 N ALA A 915 18.590 14.307 -2.222 1.00 0.00 N ATOM 1172 CA ALA A 915 19.763 13.456 -2.202 1.00 0.00 C ATOM 1173 C ALA A 915 20.906 14.080 -2.991 1.00 0.00 C ATOM 1174 O ALA A 915 22.072 13.873 -2.695 1.00 0.00 O ATOM 1175 CB ALA A 915 19.427 12.081 -2.735 1.00 0.00 C ATOM 0 H ALA A 915 17.820 13.962 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 915 20.091 13.353 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.319 11.454 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.652 11.630 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 915 19.068 12.166 -3.761 1.00 0.00 H new ATOM 1181 N ASN A 916 20.554 14.880 -3.950 1.00 0.00 N ATOM 1182 CA ASN A 916 21.524 15.520 -4.829 1.00 0.00 C ATOM 1183 C ASN A 916 22.058 16.794 -4.172 1.00 0.00 C ATOM 1184 O ASN A 916 23.212 17.159 -4.349 1.00 0.00 O ATOM 1185 CB ASN A 916 20.856 15.808 -6.200 1.00 0.00 C ATOM 1186 CG ASN A 916 21.781 16.330 -7.312 1.00 0.00 C ATOM 1187 OD1 ASN A 916 22.742 17.049 -7.085 1.00 0.00 O ATOM 1188 ND2 ASN A 916 21.491 15.954 -8.532 1.00 0.00 N ATOM 0 H ASN A 916 19.584 15.118 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 916 22.375 14.860 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 916 20.384 14.890 -6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 916 20.060 16.537 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 916 22.072 16.262 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 916 20.684 15.353 -8.702 1.00 0.00 H new ATOM 1195 N LYS A 917 21.234 17.428 -3.334 1.00 0.00 N ATOM 1196 CA LYS A 917 21.636 18.688 -2.683 1.00 0.00 C ATOM 1197 C LYS A 917 22.660 18.424 -1.582 1.00 0.00 C ATOM 1198 O LYS A 917 23.370 19.342 -1.153 1.00 0.00 O ATOM 1199 CB LYS A 917 20.424 19.457 -2.122 1.00 0.00 C ATOM 1200 CG LYS A 917 19.822 18.823 -0.882 1.00 0.00 C ATOM 1201 CD LYS A 917 18.512 19.456 -0.477 1.00 0.00 C ATOM 1202 CE LYS A 917 17.934 18.776 0.763 1.00 0.00 C ATOM 1203 NZ LYS A 917 16.557 19.240 1.051 1.00 0.00 N ATOM 0 H LYS A 917 20.299 17.101 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 917 22.097 19.315 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.729 20.477 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.658 19.523 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 917 19.666 17.760 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.530 18.905 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 917 18.663 20.517 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.800 19.385 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.931 17.696 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 917 18.574 18.980 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 16.335 19.069 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 16.484 20.258 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.883 18.719 0.454 1.00 0.00 H new ATOM 1217 N ILE A 918 22.692 17.181 -1.112 1.00 0.00 N ATOM 1218 CA ILE A 918 23.662 16.744 -0.127 1.00 0.00 C ATOM 1219 C ILE A 918 25.040 16.860 -0.756 1.00 0.00 C ATOM 1220 O ILE A 918 25.962 17.468 -0.193 1.00 0.00 O ATOM 1221 CB ILE A 918 23.414 15.271 0.260 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.991 15.080 0.813 1.00 0.00 C ATOM 1223 CG2 ILE A 918 24.466 14.788 1.245 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.669 13.656 1.226 1.00 0.00 C ATOM 0 H ILE A 918 22.043 16.451 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 918 23.580 17.358 0.770 1.00 0.00 H new ATOM 0 HB ILE A 918 23.500 14.661 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.857 15.735 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 918 21.274 15.398 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 918 24.271 13.747 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 918 25.454 14.871 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 918 24.428 15.399 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.648 13.609 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 918 21.768 12.996 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 918 22.360 13.339 2.007 1.00 0.00 H new