USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 299 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 Single : A 56 SER OG : rot 33:sc= 0.109 USER MOD Single : B 168 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N SER A 56 -12.022 5.660 -17.569 1.00 0.00 N ATOM 217 CA SER A 56 -11.394 6.706 -16.770 1.00 0.00 C ATOM 218 C SER A 56 -11.605 8.076 -17.407 1.00 0.00 C ATOM 219 O SER A 56 -12.046 9.018 -16.748 1.00 0.00 O ATOM 220 CB SER A 56 -9.897 6.429 -16.615 1.00 0.00 C ATOM 221 OG SER A 56 -9.671 5.137 -16.078 1.00 0.00 O ATOM 0 HA SER A 56 -11.861 6.706 -15.785 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.406 6.515 -17.584 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.450 7.180 -15.964 1.00 0.00 H new ATOM 0 HG SER A 56 -10.370 4.526 -16.391 1.00 0.00 H new ATOM 227 N ALA A 57 -11.287 8.180 -18.693 1.00 0.00 N ATOM 228 CA ALA A 57 -11.444 9.433 -19.421 1.00 0.00 C ATOM 229 C ALA A 57 -12.896 9.899 -19.405 1.00 0.00 C ATOM 230 O ALA A 57 -13.184 11.056 -19.099 1.00 0.00 O ATOM 231 CB ALA A 57 -10.953 9.277 -20.852 1.00 0.00 C ATOM 0 H ALA A 57 -10.919 7.411 -19.253 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.841 10.192 -18.923 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.076 10.220 -21.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.899 8.998 -20.847 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.531 8.500 -21.352 1.00 0.00 H new ATOM 237 N VAL A 58 -13.808 8.991 -19.739 1.00 0.00 N ATOM 238 CA VAL A 58 -15.230 9.309 -19.763 1.00 0.00 C ATOM 239 C VAL A 58 -15.680 9.916 -18.439 1.00 0.00 C ATOM 240 O VAL A 58 -16.511 10.824 -18.411 1.00 0.00 O ATOM 241 CB VAL A 58 -16.080 8.058 -20.057 1.00 0.00 C ATOM 242 CG1 VAL A 58 -17.560 8.411 -20.078 1.00 0.00 C ATOM 243 CG2 VAL A 58 -15.656 7.423 -21.372 1.00 0.00 C ATOM 0 H VAL A 58 -13.587 8.029 -19.997 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.378 10.036 -20.562 1.00 0.00 H new ATOM 0 HB VAL A 58 -15.915 7.333 -19.260 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.145 7.515 -20.287 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -17.851 8.816 -19.109 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.746 9.155 -20.853 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.267 6.541 -21.564 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.790 8.140 -22.182 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.607 7.132 -21.314 1.00 0.00 H new ATOM 253 N VAL A 59 -15.125 9.410 -17.343 1.00 0.00 N ATOM 254 CA VAL A 59 -15.467 9.903 -16.015 1.00 0.00 C ATOM 255 C VAL A 59 -14.909 11.304 -15.788 1.00 0.00 C ATOM 256 O VAL A 59 -15.553 12.147 -15.165 1.00 0.00 O ATOM 257 CB VAL A 59 -14.936 8.967 -14.914 1.00 0.00 C ATOM 258 CG1 VAL A 59 -15.278 9.514 -13.536 1.00 0.00 C ATOM 259 CG2 VAL A 59 -15.496 7.563 -15.093 1.00 0.00 C ATOM 0 H VAL A 59 -14.436 8.658 -17.349 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.555 9.935 -15.961 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.851 8.915 -14.998 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.895 8.839 -12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.825 10.498 -13.412 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -16.360 9.598 -13.436 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.110 6.914 -14.306 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.584 7.595 -15.036 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -15.195 7.172 -16.065 1.00 0.00 H new ATOM 269 N GLY A 60 -13.706 11.546 -16.299 1.00 0.00 N ATOM 270 CA GLY A 60 -13.081 12.846 -16.143 1.00 0.00 C ATOM 271 C GLY A 60 -13.869 13.953 -16.815 1.00 0.00 C ATOM 272 O GLY A 60 -14.086 15.013 -16.228 1.00 0.00 O ATOM 0 H GLY A 60 -13.153 10.864 -16.819 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.978 13.071 -15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.075 12.815 -16.562 1.00 0.00 H new ATOM 276 N ILE A 61 -14.296 13.707 -18.048 1.00 0.00 N ATOM 277 CA ILE A 61 -15.064 14.692 -18.800 1.00 0.00 C ATOM 278 C ILE A 61 -16.467 14.852 -18.225 1.00 0.00 C ATOM 279 O ILE A 61 -16.975 15.967 -18.099 1.00 0.00 O ATOM 280 CB ILE A 61 -15.172 14.306 -20.287 1.00 0.00 C ATOM 281 CG1 ILE A 61 -13.826 14.503 -20.987 1.00 0.00 C ATOM 282 CG2 ILE A 61 -16.256 15.127 -20.970 1.00 0.00 C ATOM 283 CD1 ILE A 61 -12.844 13.381 -20.734 1.00 0.00 C ATOM 0 H ILE A 61 -14.124 12.835 -18.548 1.00 0.00 H new ATOM 0 HA ILE A 61 -14.530 15.638 -18.716 1.00 0.00 H new ATOM 0 HB ILE A 61 -15.444 13.253 -20.355 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -13.994 14.593 -22.060 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -13.386 15.443 -20.653 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -16.320 14.843 -22.020 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -17.214 14.941 -20.484 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -16.011 16.187 -20.895 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -11.912 13.587 -21.261 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -12.647 13.304 -19.665 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -13.264 12.442 -21.094 1.00 0.00 H new ATOM 295 N LEU A 62 -17.088 13.731 -17.875 1.00 0.00 N ATOM 296 CA LEU A 62 -18.433 13.746 -17.309 1.00 0.00 C ATOM 297 C LEU A 62 -18.444 14.437 -15.950 1.00 0.00 C ATOM 298 O LEU A 62 -19.400 15.133 -15.604 1.00 0.00 O ATOM 299 CB LEU A 62 -18.965 12.318 -17.173 1.00 0.00 C ATOM 300 CG LEU A 62 -19.746 11.776 -18.371 1.00 0.00 C ATOM 301 CD1 LEU A 62 -19.792 10.256 -18.334 1.00 0.00 C ATOM 302 CD2 LEU A 62 -21.154 12.353 -18.395 1.00 0.00 C ATOM 0 H LEU A 62 -16.682 12.800 -17.973 1.00 0.00 H new ATOM 0 HA LEU A 62 -19.080 14.306 -17.985 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -18.122 11.654 -16.984 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -19.609 12.274 -16.295 1.00 0.00 H new ATOM 0 HG LEU A 62 -19.234 12.082 -19.283 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.352 9.888 -19.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -18.777 9.860 -18.365 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -20.281 9.929 -17.416 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -21.695 11.956 -19.254 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -21.676 12.077 -17.479 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -21.101 13.439 -18.470 1.00 0.00 H new ATOM 314 N LEU A 63 -17.376 14.243 -15.184 1.00 0.00 N ATOM 315 CA LEU A 63 -17.262 14.850 -13.862 1.00 0.00 C ATOM 316 C LEU A 63 -17.128 16.366 -13.969 1.00 0.00 C ATOM 317 O LEU A 63 -17.784 17.110 -13.241 1.00 0.00 O ATOM 318 CB LEU A 63 -16.059 14.271 -13.116 1.00 0.00 C ATOM 319 CG LEU A 63 -16.331 13.034 -12.261 1.00 0.00 C ATOM 320 CD1 LEU A 63 -15.030 12.461 -11.721 1.00 0.00 C ATOM 321 CD2 LEU A 63 -17.281 13.372 -11.121 1.00 0.00 C ATOM 0 H LEU A 63 -16.577 13.670 -15.455 1.00 0.00 H new ATOM 0 HA LEU A 63 -18.171 14.623 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.290 14.021 -13.847 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.647 15.049 -12.473 1.00 0.00 H new ATOM 0 HG LEU A 63 -16.803 12.279 -12.889 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -15.244 11.581 -11.115 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.383 12.180 -12.552 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -14.529 13.210 -11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -17.463 12.479 -10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -16.836 14.145 -10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -18.225 13.734 -11.529 1.00 0.00 H new ATOM 333 N VAL A 64 -16.275 16.816 -14.883 1.00 0.00 N ATOM 334 CA VAL A 64 -16.057 18.243 -15.088 1.00 0.00 C ATOM 335 C VAL A 64 -17.343 18.939 -15.522 1.00 0.00 C ATOM 336 O VAL A 64 -17.619 20.067 -15.114 1.00 0.00 O ATOM 337 CB VAL A 64 -14.967 18.498 -16.146 1.00 0.00 C ATOM 338 CG1 VAL A 64 -14.779 19.991 -16.370 1.00 0.00 C ATOM 339 CG2 VAL A 64 -13.658 17.844 -15.730 1.00 0.00 C ATOM 0 H VAL A 64 -15.723 16.213 -15.493 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.729 18.653 -14.133 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.287 18.051 -17.087 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.005 20.152 -17.121 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.716 20.428 -16.716 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.481 20.465 -15.435 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.899 18.034 -16.489 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.330 18.259 -14.777 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.805 16.769 -15.626 1.00 0.00 H new ATOM 349 N VAL A 65 -18.127 18.257 -16.351 1.00 0.00 N ATOM 350 CA VAL A 65 -19.386 18.809 -16.839 1.00 0.00 C ATOM 351 C VAL A 65 -20.369 19.029 -15.695 1.00 0.00 C ATOM 352 O VAL A 65 -20.921 20.118 -15.537 1.00 0.00 O ATOM 353 CB VAL A 65 -20.034 17.886 -17.888 1.00 0.00 C ATOM 354 CG1 VAL A 65 -21.369 18.452 -18.346 1.00 0.00 C ATOM 355 CG2 VAL A 65 -19.097 17.682 -19.069 1.00 0.00 C ATOM 0 H VAL A 65 -17.913 17.322 -16.699 1.00 0.00 H new ATOM 0 HA VAL A 65 -19.153 19.767 -17.303 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.218 16.915 -17.428 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -21.812 17.786 -19.087 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -22.039 18.540 -17.491 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.214 19.436 -18.789 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -19.571 17.027 -19.800 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -18.879 18.645 -19.531 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -18.169 17.227 -18.723 1.00 0.00 H new ATOM 365 N VAL A 66 -20.584 17.988 -14.898 1.00 0.00 N ATOM 366 CA VAL A 66 -21.501 18.067 -13.766 1.00 0.00 C ATOM 367 C VAL A 66 -21.025 19.094 -12.745 1.00 0.00 C ATOM 368 O VAL A 66 -21.770 19.998 -12.364 1.00 0.00 O ATOM 369 CB VAL A 66 -21.654 16.701 -13.071 1.00 0.00 C ATOM 370 CG1 VAL A 66 -22.634 16.799 -11.912 1.00 0.00 C ATOM 371 CG2 VAL A 66 -22.099 15.643 -14.069 1.00 0.00 C ATOM 0 H VAL A 66 -20.136 17.079 -15.015 1.00 0.00 H new ATOM 0 HA VAL A 66 -22.469 18.374 -14.163 1.00 0.00 H new ATOM 0 HB VAL A 66 -20.684 16.405 -12.671 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.730 15.825 -11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -22.268 17.526 -11.187 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -23.608 17.117 -12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -22.202 14.684 -13.561 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -23.058 15.930 -14.500 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -21.356 15.555 -14.862 1.00 0.00 H new ATOM 381 N LEU A 67 -19.780 18.951 -12.306 1.00 0.00 N ATOM 382 CA LEU A 67 -19.203 19.867 -11.328 1.00 0.00 C ATOM 383 C LEU A 67 -19.183 21.295 -11.866 1.00 0.00 C ATOM 384 O LEU A 67 -19.323 22.255 -11.110 1.00 0.00 O ATOM 385 CB LEU A 67 -17.784 19.428 -10.963 1.00 0.00 C ATOM 386 CG LEU A 67 -17.662 18.464 -9.782 1.00 0.00 C ATOM 387 CD1 LEU A 67 -16.659 17.364 -10.092 1.00 0.00 C ATOM 388 CD2 LEU A 67 -17.261 19.215 -8.521 1.00 0.00 C ATOM 0 H LEU A 67 -19.150 18.209 -12.612 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.825 19.843 -10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.334 18.958 -11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.195 20.318 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 67 -18.635 18.002 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.586 16.688 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.989 16.808 -10.969 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.683 17.807 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.179 18.514 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.300 19.705 -8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.017 19.966 -8.289 1.00 0.00 H new ATOM 400 N GLY A 68 -19.010 21.426 -13.177 1.00 0.00 N ATOM 401 CA GLY A 68 -18.977 22.739 -13.794 1.00 0.00 C ATOM 402 C GLY A 68 -20.295 23.476 -13.660 1.00 0.00 C ATOM 403 O GLY A 68 -20.325 24.646 -13.280 1.00 0.00 O ATOM 0 H GLY A 68 -18.892 20.646 -13.823 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -18.185 23.332 -13.337 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.728 22.635 -14.850 1.00 0.00 H new ATOM 407 N VAL A 69 -21.389 22.789 -13.975 1.00 0.00 N ATOM 408 CA VAL A 69 -22.717 23.386 -13.889 1.00 0.00 C ATOM 409 C VAL A 69 -23.176 23.498 -12.439 1.00 0.00 C ATOM 410 O VAL A 69 -23.892 24.430 -12.074 1.00 0.00 O ATOM 411 CB VAL A 69 -23.752 22.567 -14.682 1.00 0.00 C ATOM 412 CG1 VAL A 69 -25.137 23.180 -14.544 1.00 0.00 C ATOM 413 CG2 VAL A 69 -23.346 22.469 -16.145 1.00 0.00 C ATOM 0 H VAL A 69 -21.382 21.819 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.645 24.384 -14.322 1.00 0.00 H new ATOM 0 HB VAL A 69 -23.785 21.558 -14.270 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -25.855 22.588 -15.111 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -25.426 23.192 -13.493 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -25.124 24.200 -14.929 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -24.089 21.887 -16.690 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -23.283 23.469 -16.573 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.375 21.980 -16.221 1.00 0.00 H new ATOM 423 N VAL A 70 -22.758 22.541 -11.616 1.00 0.00 N ATOM 424 CA VAL A 70 -23.125 22.532 -10.205 1.00 0.00 C ATOM 425 C VAL A 70 -22.414 23.646 -9.446 1.00 0.00 C ATOM 426 O VAL A 70 -23.048 24.446 -8.758 1.00 0.00 O ATOM 427 CB VAL A 70 -22.789 21.181 -9.547 1.00 0.00 C ATOM 428 CG1 VAL A 70 -22.995 21.255 -8.041 1.00 0.00 C ATOM 429 CG2 VAL A 70 -23.631 20.069 -10.154 1.00 0.00 C ATOM 0 H VAL A 70 -22.165 21.762 -11.902 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.202 22.693 -10.156 1.00 0.00 H new ATOM 0 HB VAL A 70 -21.739 20.955 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -22.753 20.291 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -22.345 22.024 -7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -24.035 21.503 -7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.380 19.121 -9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.688 20.286 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -23.429 20.002 -11.223 1.00 0.00 H new ATOM 439 N PHE A 71 -21.092 23.692 -9.575 1.00 0.00 N ATOM 440 CA PHE A 71 -20.293 24.708 -8.900 1.00 0.00 C ATOM 441 C PHE A 71 -20.673 26.106 -9.380 1.00 0.00 C ATOM 442 O PHE A 71 -20.819 27.030 -8.581 1.00 0.00 O ATOM 443 CB PHE A 71 -18.802 24.460 -9.144 1.00 0.00 C ATOM 444 CG PHE A 71 -17.921 24.971 -8.040 1.00 0.00 C ATOM 445 CD1 PHE A 71 -17.972 24.403 -6.777 1.00 0.00 C ATOM 446 CD2 PHE A 71 -17.042 26.018 -8.265 1.00 0.00 C ATOM 447 CE1 PHE A 71 -17.162 24.872 -5.759 1.00 0.00 C ATOM 448 CE2 PHE A 71 -16.230 26.491 -7.251 1.00 0.00 C ATOM 449 CZ PHE A 71 -16.290 25.916 -5.997 1.00 0.00 C ATOM 0 H PHE A 71 -20.552 23.038 -10.141 1.00 0.00 H new ATOM 0 HA PHE A 71 -20.495 24.643 -7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -18.635 23.390 -9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -18.511 24.936 -10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -18.651 23.586 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -16.991 26.470 -9.244 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -17.211 24.422 -4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -15.550 27.309 -7.439 1.00 0.00 H new ATOM 0 HZ PHE A 71 -15.656 26.282 -5.203 1.00 0.00 H new ATOM 459 N GLY A 72 -20.830 26.253 -10.692 1.00 0.00 N ATOM 460 CA GLY A 72 -21.190 27.540 -11.257 1.00 0.00 C ATOM 461 C GLY A 72 -22.499 28.069 -10.705 1.00 0.00 C ATOM 462 O GLY A 72 -22.580 29.222 -10.280 1.00 0.00 O ATOM 0 H GLY A 72 -20.714 25.503 -11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -20.396 28.258 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -21.266 27.449 -12.341 1.00 0.00 H new ATOM 466 N ILE A 73 -23.526 27.226 -10.713 1.00 0.00 N ATOM 467 CA ILE A 73 -24.838 27.616 -10.209 1.00 0.00 C ATOM 468 C ILE A 73 -24.821 27.770 -8.693 1.00 0.00 C ATOM 469 O ILE A 73 -25.616 28.520 -8.125 1.00 0.00 O ATOM 470 CB ILE A 73 -25.918 26.589 -10.598 1.00 0.00 C ATOM 471 CG1 ILE A 73 -25.986 26.438 -12.119 1.00 0.00 C ATOM 472 CG2 ILE A 73 -27.270 27.006 -10.040 1.00 0.00 C ATOM 473 CD1 ILE A 73 -26.703 25.185 -12.570 1.00 0.00 C ATOM 0 H ILE A 73 -23.475 26.269 -11.063 1.00 0.00 H new ATOM 0 HA ILE A 73 -25.079 28.576 -10.666 1.00 0.00 H new ATOM 0 HB ILE A 73 -25.652 25.623 -10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -26.491 27.307 -12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -24.973 26.432 -12.521 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -28.023 26.271 -10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -27.212 27.066 -8.953 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -27.545 27.981 -10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -26.713 25.144 -13.659 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -26.186 24.309 -12.178 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -27.727 25.198 -12.198 1.00 0.00 H new ATOM 967 N ALA B 153 -9.510 8.181 -13.669 1.00 0.00 N ATOM 968 CA ALA B 153 -10.461 9.285 -13.636 1.00 0.00 C ATOM 969 C ALA B 153 -9.987 10.391 -12.699 1.00 0.00 C ATOM 970 O ALA B 153 -10.058 11.574 -13.032 1.00 0.00 O ATOM 971 CB ALA B 153 -11.835 8.786 -13.214 1.00 0.00 C ATOM 0 HA ALA B 153 -10.531 9.701 -14.641 1.00 0.00 H new ATOM 0 HB1 ALA B 153 -12.535 9.621 -13.194 1.00 0.00 H new ATOM 0 HB2 ALA B 153 -12.184 8.037 -13.925 1.00 0.00 H new ATOM 0 HB3 ALA B 153 -11.771 8.342 -12.221 1.00 0.00 H new ATOM 977 N LEU B 154 -9.504 9.998 -11.525 1.00 0.00 N ATOM 978 CA LEU B 154 -9.018 10.956 -10.539 1.00 0.00 C ATOM 979 C LEU B 154 -7.789 11.696 -11.057 1.00 0.00 C ATOM 980 O LEU B 154 -7.714 12.923 -10.988 1.00 0.00 O ATOM 981 CB LEU B 154 -8.683 10.243 -9.227 1.00 0.00 C ATOM 982 CG LEU B 154 -8.777 11.092 -7.959 1.00 0.00 C ATOM 983 CD1 LEU B 154 -10.188 11.054 -7.394 1.00 0.00 C ATOM 984 CD2 LEU B 154 -7.773 10.612 -6.921 1.00 0.00 C ATOM 0 H LEU B 154 -9.439 9.023 -11.233 1.00 0.00 H new ATOM 0 HA LEU B 154 -9.808 11.685 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU B 154 -9.352 9.390 -9.119 1.00 0.00 H new ATOM 0 HB3 LEU B 154 -7.670 9.846 -9.300 1.00 0.00 H new ATOM 0 HG LEU B 154 -8.539 12.124 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU B 154 -10.235 11.664 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU B 154 -10.887 11.445 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU B 154 -10.455 10.026 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU B 154 -7.854 11.227 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU B 154 -7.981 9.573 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU B 154 -6.764 10.692 -7.326 1.00 0.00 H new ATOM 996 N LEU B 155 -6.827 10.941 -11.577 1.00 0.00 N ATOM 997 CA LEU B 155 -5.600 11.525 -12.109 1.00 0.00 C ATOM 998 C LEU B 155 -5.914 12.614 -13.129 1.00 0.00 C ATOM 999 O LEU B 155 -5.468 13.754 -12.993 1.00 0.00 O ATOM 1000 CB LEU B 155 -4.735 10.441 -12.754 1.00 0.00 C ATOM 1001 CG LEU B 155 -3.226 10.691 -12.743 1.00 0.00 C ATOM 1002 CD1 LEU B 155 -2.578 9.992 -11.558 1.00 0.00 C ATOM 1003 CD2 LEU B 155 -2.598 10.224 -14.048 1.00 0.00 C ATOM 0 H LEU B 155 -6.873 9.924 -11.642 1.00 0.00 H new ATOM 0 HA LEU B 155 -5.052 11.975 -11.281 1.00 0.00 H new ATOM 0 HB2 LEU B 155 -4.930 9.497 -12.244 1.00 0.00 H new ATOM 0 HB3 LEU B 155 -5.055 10.317 -13.789 1.00 0.00 H new ATOM 0 HG LEU B 155 -3.056 11.763 -12.644 1.00 0.00 H new ATOM 0 HD11 LEU B 155 -1.505 10.181 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU B 155 -3.006 10.374 -10.631 1.00 0.00 H new ATOM 0 HD13 LEU B 155 -2.758 8.919 -11.626 1.00 0.00 H new ATOM 0 HD21 LEU B 155 -1.524 10.410 -14.022 1.00 0.00 H new ATOM 0 HD22 LEU B 155 -2.779 9.157 -14.177 1.00 0.00 H new ATOM 0 HD23 LEU B 155 -3.041 10.770 -14.881 1.00 0.00 H new ATOM 1015 N LEU B 156 -6.686 12.258 -14.150 1.00 0.00 N ATOM 1016 CA LEU B 156 -7.062 13.206 -15.193 1.00 0.00 C ATOM 1017 C LEU B 156 -7.693 14.457 -14.589 1.00 0.00 C ATOM 1018 O LEU B 156 -7.375 15.579 -14.986 1.00 0.00 O ATOM 1019 CB LEU B 156 -8.035 12.554 -16.176 1.00 0.00 C ATOM 1020 CG LEU B 156 -7.411 11.643 -17.234 1.00 0.00 C ATOM 1021 CD1 LEU B 156 -8.476 10.774 -17.885 1.00 0.00 C ATOM 1022 CD2 LEU B 156 -6.678 12.467 -18.282 1.00 0.00 C ATOM 0 H LEU B 156 -7.064 11.319 -14.278 1.00 0.00 H new ATOM 0 HA LEU B 156 -6.158 13.499 -15.727 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -8.760 11.972 -15.607 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -8.589 13.343 -16.685 1.00 0.00 H new ATOM 0 HG LEU B 156 -6.689 10.990 -16.744 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -8.014 10.132 -18.635 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -8.956 10.157 -17.126 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -9.223 11.409 -18.361 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -6.240 11.802 -19.027 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -7.380 13.145 -18.768 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -5.888 13.045 -17.803 1.00 0.00 H new ATOM 1034 N LEU B 157 -8.587 14.257 -13.627 1.00 0.00 N ATOM 1035 CA LEU B 157 -9.261 15.369 -12.966 1.00 0.00 C ATOM 1036 C LEU B 157 -8.249 16.352 -12.385 1.00 0.00 C ATOM 1037 O LEU B 157 -8.369 17.564 -12.570 1.00 0.00 O ATOM 1038 CB LEU B 157 -10.178 14.849 -11.857 1.00 0.00 C ATOM 1039 CG LEU B 157 -11.400 15.710 -11.538 1.00 0.00 C ATOM 1040 CD1 LEU B 157 -12.664 14.865 -11.542 1.00 0.00 C ATOM 1041 CD2 LEU B 157 -11.226 16.407 -10.197 1.00 0.00 C ATOM 0 H LEU B 157 -8.862 13.335 -13.287 1.00 0.00 H new ATOM 0 HA LEU B 157 -9.861 15.892 -13.711 1.00 0.00 H new ATOM 0 HB2 LEU B 157 -10.523 13.853 -12.135 1.00 0.00 H new ATOM 0 HB3 LEU B 157 -9.588 14.739 -10.947 1.00 0.00 H new ATOM 0 HG LEU B 157 -11.495 16.472 -12.311 1.00 0.00 H new ATOM 0 HD11 LEU B 157 -13.524 15.495 -11.313 1.00 0.00 H new ATOM 0 HD12 LEU B 157 -12.797 14.414 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU B 157 -12.579 14.080 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU B 157 -12.105 17.015 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU B 157 -11.105 15.661 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU B 157 -10.343 17.045 -10.230 1.00 0.00 H new ATOM 1053 N LEU B 158 -7.253 15.822 -11.685 1.00 0.00 N ATOM 1054 CA LEU B 158 -6.218 16.652 -11.079 1.00 0.00 C ATOM 1055 C LEU B 158 -5.355 17.315 -12.148 1.00 0.00 C ATOM 1056 O LEU B 158 -4.981 18.481 -12.024 1.00 0.00 O ATOM 1057 CB LEU B 158 -5.341 15.811 -10.149 1.00 0.00 C ATOM 1058 CG LEU B 158 -4.690 16.557 -8.983 1.00 0.00 C ATOM 1059 CD1 LEU B 158 -5.295 16.112 -7.661 1.00 0.00 C ATOM 1060 CD2 LEU B 158 -3.184 16.338 -8.984 1.00 0.00 C ATOM 0 H LEU B 158 -7.140 14.821 -11.523 1.00 0.00 H new ATOM 0 HA LEU B 158 -6.708 17.433 -10.498 1.00 0.00 H new ATOM 0 HB2 LEU B 158 -5.948 15.002 -9.743 1.00 0.00 H new ATOM 0 HB3 LEU B 158 -4.553 15.350 -10.744 1.00 0.00 H new ATOM 0 HG LEU B 158 -4.882 17.623 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU B 158 -4.820 16.653 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU B 158 -6.365 16.321 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU B 158 -5.135 15.042 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU B 158 -2.738 16.876 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU B 158 -2.971 15.274 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU B 158 -2.763 16.707 -9.919 1.00 0.00 H new ATOM 1072 N VAL B 159 -5.045 16.564 -13.200 1.00 0.00 N ATOM 1073 CA VAL B 159 -4.230 17.079 -14.294 1.00 0.00 C ATOM 1074 C VAL B 159 -4.930 18.232 -15.005 1.00 0.00 C ATOM 1075 O VAL B 159 -4.332 19.281 -15.245 1.00 0.00 O ATOM 1076 CB VAL B 159 -3.908 15.977 -15.321 1.00 0.00 C ATOM 1077 CG1 VAL B 159 -2.983 16.511 -16.404 1.00 0.00 C ATOM 1078 CG2 VAL B 159 -3.292 14.770 -14.630 1.00 0.00 C ATOM 0 H VAL B 159 -5.346 15.597 -13.318 1.00 0.00 H new ATOM 0 HA VAL B 159 -3.300 17.438 -13.854 1.00 0.00 H new ATOM 0 HB VAL B 159 -4.838 15.661 -15.794 1.00 0.00 H new ATOM 0 HG11 VAL B 159 -2.766 15.719 -17.121 1.00 0.00 H new ATOM 0 HG12 VAL B 159 -3.466 17.343 -16.917 1.00 0.00 H new ATOM 0 HG13 VAL B 159 -2.053 16.855 -15.951 1.00 0.00 H new ATOM 0 HG21 VAL B 159 -3.071 14.001 -15.370 1.00 0.00 H new ATOM 0 HG22 VAL B 159 -2.371 15.068 -14.130 1.00 0.00 H new ATOM 0 HG23 VAL B 159 -3.993 14.375 -13.895 1.00 0.00 H new ATOM 1088 N VAL B 160 -6.200 18.030 -15.339 1.00 0.00 N ATOM 1089 CA VAL B 160 -6.983 19.053 -16.021 1.00 0.00 C ATOM 1090 C VAL B 160 -7.171 20.282 -15.138 1.00 0.00 C ATOM 1091 O VAL B 160 -6.972 21.413 -15.579 1.00 0.00 O ATOM 1092 CB VAL B 160 -8.366 18.518 -16.438 1.00 0.00 C ATOM 1093 CG1 VAL B 160 -9.114 19.554 -17.262 1.00 0.00 C ATOM 1094 CG2 VAL B 160 -8.221 17.214 -17.209 1.00 0.00 C ATOM 0 H VAL B 160 -6.709 17.167 -15.148 1.00 0.00 H new ATOM 0 HA VAL B 160 -6.426 19.333 -16.915 1.00 0.00 H new ATOM 0 HB VAL B 160 -8.946 18.319 -15.537 1.00 0.00 H new ATOM 0 HG11 VAL B 160 -10.089 19.158 -17.547 1.00 0.00 H new ATOM 0 HG12 VAL B 160 -9.249 20.460 -16.671 1.00 0.00 H new ATOM 0 HG13 VAL B 160 -8.541 19.788 -18.159 1.00 0.00 H new ATOM 0 HG21 VAL B 160 -9.207 16.849 -17.496 1.00 0.00 H new ATOM 0 HG22 VAL B 160 -7.623 17.385 -18.104 1.00 0.00 H new ATOM 0 HG23 VAL B 160 -7.729 16.472 -16.580 1.00 0.00 H new ATOM 1104 N ALA B 161 -7.556 20.050 -13.887 1.00 0.00 N ATOM 1105 CA ALA B 161 -7.768 21.138 -12.940 1.00 0.00 C ATOM 1106 C ALA B 161 -6.521 22.006 -12.811 1.00 0.00 C ATOM 1107 O ALA B 161 -6.614 23.222 -12.640 1.00 0.00 O ATOM 1108 CB ALA B 161 -8.170 20.583 -11.581 1.00 0.00 C ATOM 0 H ALA B 161 -7.727 19.119 -13.506 1.00 0.00 H new ATOM 0 HA ALA B 161 -8.576 21.764 -13.319 1.00 0.00 H new ATOM 0 HB1 ALA B 161 -8.325 21.406 -10.883 1.00 0.00 H new ATOM 0 HB2 ALA B 161 -9.093 20.012 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA B 161 -7.380 19.933 -11.205 1.00 0.00 H new ATOM 1114 N LEU B 162 -5.355 21.374 -12.895 1.00 0.00 N ATOM 1115 CA LEU B 162 -4.088 22.089 -12.788 1.00 0.00 C ATOM 1116 C LEU B 162 -3.811 22.899 -14.050 1.00 0.00 C ATOM 1117 O LEU B 162 -3.309 24.020 -13.983 1.00 0.00 O ATOM 1118 CB LEU B 162 -2.944 21.105 -12.538 1.00 0.00 C ATOM 1119 CG LEU B 162 -1.761 21.642 -11.733 1.00 0.00 C ATOM 1120 CD1 LEU B 162 -1.834 21.164 -10.291 1.00 0.00 C ATOM 1121 CD2 LEU B 162 -0.446 21.219 -12.371 1.00 0.00 C ATOM 0 H LEU B 162 -5.261 20.368 -13.037 1.00 0.00 H new ATOM 0 HA LEU B 162 -4.158 22.777 -11.946 1.00 0.00 H new ATOM 0 HB2 LEU B 162 -3.346 20.235 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU B 162 -2.574 20.757 -13.502 1.00 0.00 H new ATOM 0 HG LEU B 162 -1.810 22.731 -11.735 1.00 0.00 H new ATOM 0 HD11 LEU B 162 -0.983 21.557 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU B 162 -2.760 21.518 -9.837 1.00 0.00 H new ATOM 0 HD13 LEU B 162 -1.812 20.074 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU B 162 0.385 21.610 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU B 162 -0.389 20.131 -12.400 1.00 0.00 H new ATOM 0 HD23 LEU B 162 -0.391 21.613 -13.386 1.00 0.00 H new ATOM 1133 N GLY B 163 -4.144 22.323 -15.202 1.00 0.00 N ATOM 1134 CA GLY B 163 -3.926 23.006 -16.463 1.00 0.00 C ATOM 1135 C GLY B 163 -4.896 24.150 -16.679 1.00 0.00 C ATOM 1136 O GLY B 163 -4.512 25.216 -17.161 1.00 0.00 O ATOM 0 H GLY B 163 -4.561 21.396 -15.283 1.00 0.00 H new ATOM 0 HA2 GLY B 163 -2.906 23.388 -16.494 1.00 0.00 H new ATOM 0 HA3 GLY B 163 -4.024 22.292 -17.281 1.00 0.00 H new ATOM 1140 N ILE B 164 -6.157 23.930 -16.322 1.00 0.00 N ATOM 1141 CA ILE B 164 -7.185 24.951 -16.480 1.00 0.00 C ATOM 1142 C ILE B 164 -7.021 26.061 -15.447 1.00 0.00 C ATOM 1143 O ILE B 164 -7.228 27.236 -15.745 1.00 0.00 O ATOM 1144 CB ILE B 164 -8.598 24.352 -16.353 1.00 0.00 C ATOM 1145 CG1 ILE B 164 -8.818 23.277 -17.420 1.00 0.00 C ATOM 1146 CG2 ILE B 164 -9.650 25.445 -16.470 1.00 0.00 C ATOM 1147 CD1 ILE B 164 -10.204 22.673 -17.392 1.00 0.00 C ATOM 0 H ILE B 164 -6.491 23.054 -15.921 1.00 0.00 H new ATOM 0 HA ILE B 164 -7.064 25.368 -17.480 1.00 0.00 H new ATOM 0 HB ILE B 164 -8.692 23.888 -15.371 1.00 0.00 H new ATOM 0 HG12 ILE B 164 -8.639 23.711 -18.404 1.00 0.00 H new ATOM 0 HG13 ILE B 164 -8.082 22.485 -17.283 1.00 0.00 H new ATOM 0 HG21 ILE B 164 -10.643 25.005 -16.378 1.00 0.00 H new ATOM 0 HG22 ILE B 164 -9.503 26.178 -15.677 1.00 0.00 H new ATOM 0 HG23 ILE B 164 -9.559 25.936 -17.439 1.00 0.00 H new ATOM 0 HD11 ILE B 164 -10.288 21.919 -18.175 1.00 0.00 H new ATOM 0 HD12 ILE B 164 -10.379 22.209 -16.421 1.00 0.00 H new ATOM 0 HD13 ILE B 164 -10.945 23.455 -17.560 1.00 0.00 H new ATOM 1159 N GLY B 165 -6.645 25.678 -14.230 1.00 0.00 N ATOM 1160 CA GLY B 165 -6.457 26.653 -13.172 1.00 0.00 C ATOM 1161 C GLY B 165 -5.246 27.536 -13.405 1.00 0.00 C ATOM 1162 O GLY B 165 -5.283 28.736 -13.132 1.00 0.00 O ATOM 0 H GLY B 165 -6.468 24.711 -13.959 1.00 0.00 H new ATOM 0 HA2 GLY B 165 -7.348 27.276 -13.094 1.00 0.00 H new ATOM 0 HA3 GLY B 165 -6.347 26.134 -12.220 1.00 0.00 H new ATOM 1166 N LEU B 166 -4.171 26.941 -13.908 1.00 0.00 N ATOM 1167 CA LEU B 166 -2.942 27.681 -14.176 1.00 0.00 C ATOM 1168 C LEU B 166 -3.116 28.608 -15.375 1.00 0.00 C ATOM 1169 O LEU B 166 -2.614 29.732 -15.381 1.00 0.00 O ATOM 1170 CB LEU B 166 -1.785 26.713 -14.429 1.00 0.00 C ATOM 1171 CG LEU B 166 -0.982 26.292 -13.199 1.00 0.00 C ATOM 1172 CD1 LEU B 166 -0.299 24.954 -13.439 1.00 0.00 C ATOM 1173 CD2 LEU B 166 0.042 27.359 -12.839 1.00 0.00 C ATOM 0 H LEU B 166 -4.125 25.949 -14.139 1.00 0.00 H new ATOM 0 HA LEU B 166 -2.714 28.288 -13.300 1.00 0.00 H new ATOM 0 HB2 LEU B 166 -2.185 25.816 -14.902 1.00 0.00 H new ATOM 0 HB3 LEU B 166 -1.103 27.173 -15.144 1.00 0.00 H new ATOM 0 HG LEU B 166 -1.670 26.180 -12.361 1.00 0.00 H new ATOM 0 HD11 LEU B 166 0.268 24.671 -12.552 1.00 0.00 H new ATOM 0 HD12 LEU B 166 -1.052 24.193 -13.647 1.00 0.00 H new ATOM 0 HD13 LEU B 166 0.377 25.038 -14.290 1.00 0.00 H new ATOM 0 HD21 LEU B 166 0.604 27.042 -11.961 1.00 0.00 H new ATOM 0 HD22 LEU B 166 0.726 27.504 -13.675 1.00 0.00 H new ATOM 0 HD23 LEU B 166 -0.470 28.297 -12.623 1.00 0.00 H new ATOM 1185 N PHE B 167 -3.832 28.131 -16.387 1.00 0.00 N ATOM 1186 CA PHE B 167 -4.073 28.917 -17.591 1.00 0.00 C ATOM 1187 C PHE B 167 -5.011 30.085 -17.300 1.00 0.00 C ATOM 1188 O PHE B 167 -4.851 31.175 -17.847 1.00 0.00 O ATOM 1189 CB PHE B 167 -4.666 28.035 -18.692 1.00 0.00 C ATOM 1190 CG PHE B 167 -4.302 28.481 -20.079 1.00 0.00 C ATOM 1191 CD1 PHE B 167 -2.977 28.515 -20.485 1.00 0.00 C ATOM 1192 CD2 PHE B 167 -5.284 28.868 -20.977 1.00 0.00 C ATOM 1193 CE1 PHE B 167 -2.639 28.925 -21.761 1.00 0.00 C ATOM 1194 CE2 PHE B 167 -4.951 29.278 -22.254 1.00 0.00 C ATOM 1195 CZ PHE B 167 -3.627 29.308 -22.646 1.00 0.00 C ATOM 0 H PHE B 167 -4.256 27.203 -16.397 1.00 0.00 H new ATOM 0 HA PHE B 167 -3.117 29.317 -17.930 1.00 0.00 H new ATOM 0 HB2 PHE B 167 -4.326 27.010 -18.548 1.00 0.00 H new ATOM 0 HB3 PHE B 167 -5.752 28.027 -18.595 1.00 0.00 H new ATOM 0 HD1 PHE B 167 -2.200 28.218 -19.796 1.00 0.00 H new ATOM 0 HD2 PHE B 167 -6.321 28.849 -20.676 1.00 0.00 H new ATOM 0 HE1 PHE B 167 -1.603 28.946 -22.065 1.00 0.00 H new ATOM 0 HE2 PHE B 167 -5.726 29.575 -22.945 1.00 0.00 H new ATOM 0 HZ PHE B 167 -3.365 29.630 -23.643 1.00 0.00 H new ATOM 1205 N MET B 168 -5.991 29.846 -16.434 1.00 0.00 N ATOM 1206 CA MET B 168 -6.955 30.878 -16.068 1.00 0.00 C ATOM 1207 C MET B 168 -6.311 31.930 -15.171 1.00 0.00 C ATOM 1208 O MET B 168 -6.637 33.115 -15.256 1.00 0.00 O ATOM 1209 CB MET B 168 -8.158 30.253 -15.359 1.00 0.00 C ATOM 1210 CG MET B 168 -9.283 29.860 -16.304 1.00 0.00 C ATOM 1211 SD MET B 168 -10.785 30.821 -16.034 1.00 0.00 S ATOM 1212 CE MET B 168 -11.399 30.073 -14.527 1.00 0.00 C ATOM 0 H MET B 168 -6.138 28.948 -15.973 1.00 0.00 H new ATOM 0 HA MET B 168 -7.294 31.365 -16.983 1.00 0.00 H new ATOM 0 HB2 MET B 168 -7.829 29.370 -14.812 1.00 0.00 H new ATOM 0 HB3 MET B 168 -8.543 30.959 -14.623 1.00 0.00 H new ATOM 0 HG2 MET B 168 -8.951 29.994 -17.333 1.00 0.00 H new ATOM 0 HG3 MET B 168 -9.506 28.801 -16.176 1.00 0.00 H new ATOM 0 HE1 MET B 168 -12.327 30.561 -14.231 1.00 0.00 H new ATOM 0 HE2 MET B 168 -11.585 29.012 -14.697 1.00 0.00 H new ATOM 0 HE3 MET B 168 -10.659 30.190 -13.735 1.00 0.00 H new ATOM 1222 N ARG B 169 -5.398 31.490 -14.312 1.00 0.00 N ATOM 1223 CA ARG B 169 -4.710 32.394 -13.398 1.00 0.00 C ATOM 1224 C ARG B 169 -3.922 33.450 -14.168 1.00 0.00 C ATOM 1225 O ARG B 169 -3.589 34.505 -13.629 1.00 0.00 O ATOM 1226 CB ARG B 169 -3.771 31.609 -12.481 1.00 0.00 C ATOM 1227 CG ARG B 169 -3.890 31.992 -11.015 1.00 0.00 C ATOM 1228 CD ARG B 169 -2.673 31.544 -10.221 1.00 0.00 C ATOM 1229 NE ARG B 169 -2.172 32.600 -9.345 1.00 0.00 N ATOM 1230 CZ ARG B 169 -0.982 32.564 -8.757 1.00 0.00 C ATOM 1231 NH1 ARG B 169 -0.175 31.530 -8.950 1.00 0.00 N ATOM 1232 NH2 ARG B 169 -0.596 33.563 -7.974 1.00 0.00 N ATOM 0 H ARG B 169 -5.117 30.513 -14.230 1.00 0.00 H new ATOM 0 HA ARG B 169 -5.462 32.898 -12.791 1.00 0.00 H new ATOM 0 HB2 ARG B 169 -3.979 30.544 -12.588 1.00 0.00 H new ATOM 0 HB3 ARG B 169 -2.743 31.767 -12.807 1.00 0.00 H new ATOM 0 HG2 ARG B 169 -4.005 33.072 -10.928 1.00 0.00 H new ATOM 0 HG3 ARG B 169 -4.788 31.541 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG B 169 -2.932 30.670 -9.624 1.00 0.00 H new ATOM 0 HD3 ARG B 169 -1.884 31.238 -10.908 1.00 0.00 H new ATOM 0 HE ARG B 169 -2.769 33.409 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG B 169 -0.468 30.760 -9.551 1.00 0.00 H new ATOM 0 HH12 ARG B 169 0.739 31.505 -8.497 1.00 0.00 H new ATOM 0 HH21 ARG B 169 -1.214 34.360 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG B 169 0.318 33.534 -7.523 1.00 0.00 H new