USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 318 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 59 CYS SG : rot 156:sc= 0.055 USER MOD Set 1.2: A 62 CYS SG : rot -46:sc= -2.78! USER MOD Set 1.3: A 80 CYS SG : rot 160:sc= -0.547 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0331 X(o=-3.2,f=-3.1) USER MOD Set 1.5: A 83 CYS SG : rot 81:sc= 0.145 USER MOD Single : A 38 THR OG1 : rot 35:sc= 0.0833 USER MOD Single : A 55 SER OG : rot 138:sc= 0.617 USER MOD Single : A 68 GLN : amide:sc= -0.578 K(o=-0.58,f=-0.0084) USER MOD Single : A 84 GLN : amide:sc= -0.232 K(o=-0.23,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 10.916 -18.972 -21.459 1.00 0.00 N ATOM 235 CA THR A 38 12.116 -19.829 -21.466 1.00 0.00 C ATOM 236 C THR A 38 11.761 -21.286 -21.083 1.00 0.00 C ATOM 237 O THR A 38 12.274 -22.242 -21.679 1.00 0.00 O ATOM 238 CB THR A 38 13.185 -19.272 -20.472 1.00 0.00 C ATOM 239 OG1 THR A 38 13.508 -17.910 -20.813 1.00 0.00 O ATOM 240 CG2 THR A 38 14.472 -20.118 -20.452 1.00 0.00 C ATOM 0 HA THR A 38 12.524 -19.825 -22.477 1.00 0.00 H new ATOM 0 HB THR A 38 12.749 -19.318 -19.474 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.707 -17.460 -21.154 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.180 -19.686 -19.745 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.233 -21.137 -20.149 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.915 -20.130 -21.448 1.00 0.00 H new ATOM 248 N ILE A 39 10.845 -21.418 -20.106 1.00 0.00 N ATOM 249 CA ILE A 39 10.400 -22.719 -19.576 1.00 0.00 C ATOM 250 C ILE A 39 9.611 -23.489 -20.647 1.00 0.00 C ATOM 251 O ILE A 39 9.868 -24.668 -20.890 1.00 0.00 O ATOM 252 CB ILE A 39 9.505 -22.532 -18.289 1.00 0.00 C ATOM 253 CG1 ILE A 39 10.221 -21.619 -17.242 1.00 0.00 C ATOM 254 CG2 ILE A 39 9.103 -23.899 -17.664 1.00 0.00 C ATOM 255 CD1 ILE A 39 11.574 -22.107 -16.768 1.00 0.00 C ATOM 0 H ILE A 39 10.391 -20.621 -19.660 1.00 0.00 H new ATOM 0 HA ILE A 39 11.287 -23.289 -19.301 1.00 0.00 H new ATOM 0 HB ILE A 39 8.584 -22.036 -18.597 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.344 -20.626 -17.675 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.569 -21.510 -16.375 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.488 -23.728 -16.781 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.538 -24.480 -18.393 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.001 -24.447 -17.380 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.983 -21.401 -16.045 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.464 -23.085 -16.299 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.250 -22.187 -17.619 1.00 0.00 H new ATOM 267 N GLU A 40 8.696 -22.778 -21.328 1.00 0.00 N ATOM 268 CA GLU A 40 7.775 -23.400 -22.309 1.00 0.00 C ATOM 269 C GLU A 40 8.530 -23.751 -23.604 1.00 0.00 C ATOM 270 O GLU A 40 8.207 -24.731 -24.269 1.00 0.00 O ATOM 271 CB GLU A 40 6.553 -22.476 -22.610 1.00 0.00 C ATOM 272 CG GLU A 40 6.820 -21.299 -23.582 1.00 0.00 C ATOM 273 CD GLU A 40 5.557 -20.498 -23.924 1.00 0.00 C ATOM 274 OE1 GLU A 40 4.788 -20.932 -24.807 1.00 0.00 O ATOM 275 OE2 GLU A 40 5.327 -19.437 -23.316 1.00 0.00 O ATOM 0 H GLU A 40 8.570 -21.771 -21.221 1.00 0.00 H new ATOM 0 HA GLU A 40 7.388 -24.321 -21.872 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.751 -23.089 -23.023 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.189 -22.068 -21.667 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.557 -20.630 -23.138 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.256 -21.688 -24.502 1.00 0.00 H new ATOM 282 N ASP A 41 9.551 -22.929 -23.919 1.00 0.00 N ATOM 283 CA ASP A 41 10.458 -23.117 -25.072 1.00 0.00 C ATOM 284 C ASP A 41 11.356 -24.342 -24.846 1.00 0.00 C ATOM 285 O ASP A 41 11.617 -25.122 -25.775 1.00 0.00 O ATOM 286 CB ASP A 41 11.292 -21.816 -25.272 1.00 0.00 C ATOM 287 CG ASP A 41 12.539 -21.964 -26.167 1.00 0.00 C ATOM 288 OD1 ASP A 41 12.408 -22.362 -27.346 1.00 0.00 O ATOM 289 OD2 ASP A 41 13.661 -21.671 -25.688 1.00 0.00 O ATOM 0 H ASP A 41 9.774 -22.099 -23.369 1.00 0.00 H new ATOM 0 HA ASP A 41 9.883 -23.304 -25.979 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.645 -21.052 -25.702 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.608 -21.453 -24.294 1.00 0.00 H new ATOM 294 N ALA A 42 11.795 -24.510 -23.587 1.00 0.00 N ATOM 295 CA ALA A 42 12.587 -25.672 -23.164 1.00 0.00 C ATOM 296 C ALA A 42 11.758 -26.965 -23.304 1.00 0.00 C ATOM 297 O ALA A 42 12.210 -27.933 -23.904 1.00 0.00 O ATOM 298 CB ALA A 42 13.077 -25.486 -21.721 1.00 0.00 C ATOM 0 H ALA A 42 11.610 -23.844 -22.837 1.00 0.00 H new ATOM 0 HA ALA A 42 13.460 -25.757 -23.811 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.663 -26.355 -21.421 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.697 -24.592 -21.660 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.220 -25.379 -21.057 1.00 0.00 H new ATOM 304 N ILE A 43 10.515 -26.925 -22.786 1.00 0.00 N ATOM 305 CA ILE A 43 9.568 -28.069 -22.814 1.00 0.00 C ATOM 306 C ILE A 43 9.086 -28.382 -24.257 1.00 0.00 C ATOM 307 O ILE A 43 8.836 -29.554 -24.601 1.00 0.00 O ATOM 308 CB ILE A 43 8.343 -27.802 -21.845 1.00 0.00 C ATOM 309 CG1 ILE A 43 8.830 -27.613 -20.366 1.00 0.00 C ATOM 310 CG2 ILE A 43 7.264 -28.912 -21.929 1.00 0.00 C ATOM 311 CD1 ILE A 43 9.606 -28.786 -19.775 1.00 0.00 C ATOM 0 H ILE A 43 10.132 -26.095 -22.332 1.00 0.00 H new ATOM 0 HA ILE A 43 10.101 -28.950 -22.457 1.00 0.00 H new ATOM 0 HB ILE A 43 7.874 -26.877 -22.181 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.459 -26.724 -20.320 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.960 -27.422 -19.737 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.448 -28.679 -21.245 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.879 -28.969 -22.947 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.705 -29.870 -21.654 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.895 -28.552 -18.751 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.978 -29.677 -19.780 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.500 -28.968 -20.372 1.00 0.00 H new ATOM 323 N ALA A 44 9.006 -27.334 -25.101 1.00 0.00 N ATOM 324 CA ALA A 44 8.575 -27.451 -26.512 1.00 0.00 C ATOM 325 C ALA A 44 9.553 -28.319 -27.320 1.00 0.00 C ATOM 326 O ALA A 44 9.134 -29.187 -28.091 1.00 0.00 O ATOM 327 CB ALA A 44 8.452 -26.056 -27.147 1.00 0.00 C ATOM 0 H ALA A 44 9.238 -26.380 -24.825 1.00 0.00 H new ATOM 0 HA ALA A 44 7.599 -27.936 -26.529 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.134 -26.155 -28.185 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.716 -25.469 -26.597 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.418 -25.553 -27.110 1.00 0.00 H new ATOM 333 N ARG A 45 10.862 -28.081 -27.114 1.00 0.00 N ATOM 334 CA ARG A 45 11.931 -28.842 -27.789 1.00 0.00 C ATOM 335 C ARG A 45 12.274 -30.132 -27.012 1.00 0.00 C ATOM 336 O ARG A 45 12.857 -31.057 -27.584 1.00 0.00 O ATOM 337 CB ARG A 45 13.198 -27.955 -27.979 1.00 0.00 C ATOM 338 CG ARG A 45 13.902 -27.524 -26.672 1.00 0.00 C ATOM 339 CD ARG A 45 15.188 -26.725 -26.921 1.00 0.00 C ATOM 340 NE ARG A 45 15.801 -26.271 -25.654 1.00 0.00 N ATOM 341 CZ ARG A 45 15.696 -25.036 -25.141 1.00 0.00 C ATOM 342 NH1 ARG A 45 15.004 -24.101 -25.771 1.00 0.00 N ATOM 343 NH2 ARG A 45 16.278 -24.748 -23.992 1.00 0.00 N ATOM 0 H ARG A 45 11.207 -27.361 -26.479 1.00 0.00 H new ATOM 0 HA ARG A 45 11.566 -29.135 -28.773 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.913 -28.499 -28.596 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.915 -27.060 -28.533 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.215 -26.921 -26.077 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.139 -28.411 -26.084 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.900 -27.342 -27.470 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.965 -25.862 -27.548 1.00 0.00 H new ATOM 0 HE ARG A 45 16.348 -26.952 -25.128 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.544 -24.316 -26.656 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.930 -23.165 -25.372 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.807 -25.464 -23.495 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.199 -23.809 -23.601 1.00 0.00 H new ATOM 357 N ALA A 46 11.908 -30.182 -25.709 1.00 0.00 N ATOM 358 CA ALA A 46 12.231 -31.320 -24.824 1.00 0.00 C ATOM 359 C ALA A 46 11.381 -32.554 -25.159 1.00 0.00 C ATOM 360 O ALA A 46 11.915 -33.627 -25.438 1.00 0.00 O ATOM 361 CB ALA A 46 12.040 -30.944 -23.343 1.00 0.00 C ATOM 0 H ALA A 46 11.384 -29.439 -25.247 1.00 0.00 H new ATOM 0 HA ALA A 46 13.279 -31.567 -24.993 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.285 -31.801 -22.716 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.696 -30.111 -23.092 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.003 -30.654 -23.172 1.00 0.00 H new ATOM 367 N ARG A 47 10.049 -32.373 -25.157 1.00 0.00 N ATOM 368 CA ARG A 47 9.082 -33.490 -25.284 1.00 0.00 C ATOM 369 C ARG A 47 8.028 -33.225 -26.381 1.00 0.00 C ATOM 370 O ARG A 47 7.267 -34.132 -26.729 1.00 0.00 O ATOM 371 CB ARG A 47 8.390 -33.736 -23.916 1.00 0.00 C ATOM 372 CG ARG A 47 7.498 -32.571 -23.440 1.00 0.00 C ATOM 373 CD ARG A 47 6.871 -32.812 -22.058 1.00 0.00 C ATOM 374 NE ARG A 47 7.880 -32.782 -20.982 1.00 0.00 N ATOM 375 CZ ARG A 47 7.750 -32.143 -19.808 1.00 0.00 C ATOM 376 NH1 ARG A 47 6.656 -31.437 -19.537 1.00 0.00 N ATOM 377 NH2 ARG A 47 8.738 -32.175 -18.928 1.00 0.00 N ATOM 0 H ARG A 47 9.609 -31.457 -25.068 1.00 0.00 H new ATOM 0 HA ARG A 47 9.635 -34.381 -25.582 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.783 -34.639 -23.986 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.155 -33.924 -23.163 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.092 -31.657 -23.408 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.704 -32.409 -24.169 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.113 -32.052 -21.866 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.364 -33.777 -22.053 1.00 0.00 H new ATOM 0 HE ARG A 47 8.750 -33.290 -21.143 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.905 -31.377 -20.224 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.568 -30.956 -18.642 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.596 -32.684 -19.142 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.642 -31.691 -18.036 1.00 0.00 H new ATOM 391 N GLY A 48 7.988 -31.984 -26.907 1.00 0.00 N ATOM 392 CA GLY A 48 7.009 -31.595 -27.940 1.00 0.00 C ATOM 393 C GLY A 48 5.604 -31.384 -27.384 1.00 0.00 C ATOM 394 O GLY A 48 4.611 -31.652 -28.068 1.00 0.00 O ATOM 0 H GLY A 48 8.623 -31.234 -26.633 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.344 -30.677 -28.422 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.977 -32.366 -28.710 1.00 0.00 H new ATOM 398 N GLU A 49 5.543 -30.895 -26.134 1.00 0.00 N ATOM 399 CA GLU A 49 4.275 -30.627 -25.415 1.00 0.00 C ATOM 400 C GLU A 49 3.594 -29.382 -26.004 1.00 0.00 C ATOM 401 O GLU A 49 2.438 -29.434 -26.439 1.00 0.00 O ATOM 402 CB GLU A 49 4.570 -30.428 -23.910 1.00 0.00 C ATOM 403 CG GLU A 49 3.339 -30.242 -22.995 1.00 0.00 C ATOM 404 CD GLU A 49 3.719 -30.090 -21.510 1.00 0.00 C ATOM 405 OE1 GLU A 49 4.019 -31.111 -20.859 1.00 0.00 O ATOM 406 OE2 GLU A 49 3.746 -28.951 -20.998 1.00 0.00 O ATOM 0 H GLU A 49 6.374 -30.672 -25.586 1.00 0.00 H new ATOM 0 HA GLU A 49 3.600 -31.475 -25.532 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.135 -31.290 -23.554 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.215 -29.556 -23.799 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.783 -29.361 -23.315 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.674 -31.098 -23.110 1.00 0.00 H new ATOM 413 N ILE A 50 4.333 -28.258 -25.988 1.00 0.00 N ATOM 414 CA ILE A 50 3.921 -27.013 -26.642 1.00 0.00 C ATOM 415 C ILE A 50 3.989 -27.224 -28.174 1.00 0.00 C ATOM 416 O ILE A 50 4.974 -27.801 -28.659 1.00 0.00 O ATOM 417 CB ILE A 50 4.849 -25.811 -26.191 1.00 0.00 C ATOM 418 CG1 ILE A 50 4.773 -25.588 -24.638 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.538 -24.493 -26.961 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.404 -25.185 -24.113 1.00 0.00 C ATOM 0 H ILE A 50 5.236 -28.192 -25.518 1.00 0.00 H new ATOM 0 HA ILE A 50 2.901 -26.759 -26.352 1.00 0.00 H new ATOM 0 HB ILE A 50 5.870 -26.092 -26.448 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.081 -26.507 -24.139 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.493 -24.818 -24.361 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.203 -23.703 -26.613 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.690 -24.651 -28.029 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.503 -24.202 -26.781 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.453 -25.055 -23.032 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.097 -24.248 -24.578 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.679 -25.963 -24.352 1.00 0.00 H new ATOM 492 N SER A 55 -1.604 -22.979 -33.295 1.00 0.00 N ATOM 493 CA SER A 55 -2.830 -23.318 -32.576 1.00 0.00 C ATOM 494 C SER A 55 -2.774 -24.712 -31.917 1.00 0.00 C ATOM 495 O SER A 55 -1.940 -25.561 -32.271 1.00 0.00 O ATOM 496 CB SER A 55 -3.992 -23.249 -33.570 1.00 0.00 C ATOM 497 OG SER A 55 -4.044 -21.967 -34.189 1.00 0.00 O ATOM 0 HA SER A 55 -2.962 -22.605 -31.763 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.875 -24.022 -34.330 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.931 -23.449 -33.055 1.00 0.00 H new ATOM 0 HG SER A 55 -4.233 -22.073 -35.145 1.00 0.00 H new ATOM 503 N LEU A 56 -3.693 -24.926 -30.969 1.00 0.00 N ATOM 504 CA LEU A 56 -3.873 -26.200 -30.251 1.00 0.00 C ATOM 505 C LEU A 56 -5.162 -26.902 -30.739 1.00 0.00 C ATOM 506 O LEU A 56 -5.839 -26.399 -31.647 1.00 0.00 O ATOM 507 CB LEU A 56 -3.874 -25.928 -28.703 1.00 0.00 C ATOM 508 CG LEU A 56 -4.697 -24.681 -28.193 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.207 -24.839 -28.403 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.387 -24.334 -26.719 1.00 0.00 C ATOM 0 H LEU A 56 -4.349 -24.204 -30.670 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.046 -26.878 -30.463 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.261 -26.816 -28.204 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.840 -25.806 -28.380 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.368 -23.845 -28.810 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.721 -23.951 -28.033 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.416 -24.963 -29.466 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.560 -25.715 -27.859 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.978 -23.470 -26.417 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.637 -25.184 -26.085 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.327 -24.103 -26.615 1.00 0.00 H new ATOM 522 N ASP A 57 -5.511 -28.035 -30.113 1.00 0.00 N ATOM 523 CA ASP A 57 -6.688 -28.848 -30.499 1.00 0.00 C ATOM 524 C ASP A 57 -7.674 -29.036 -29.320 1.00 0.00 C ATOM 525 O ASP A 57 -8.673 -29.745 -29.451 1.00 0.00 O ATOM 526 CB ASP A 57 -6.220 -30.215 -31.048 1.00 0.00 C ATOM 527 CG ASP A 57 -5.449 -31.043 -30.008 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.287 -30.693 -29.688 1.00 0.00 O ATOM 529 OD2 ASP A 57 -5.989 -32.045 -29.516 1.00 0.00 O ATOM 0 H ASP A 57 -4.990 -28.419 -29.325 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.227 -28.312 -31.280 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.088 -30.782 -31.386 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.586 -30.053 -31.920 1.00 0.00 H new ATOM 534 N GLU A 58 -7.416 -28.335 -28.199 1.00 0.00 N ATOM 535 CA GLU A 58 -8.236 -28.402 -26.965 1.00 0.00 C ATOM 536 C GLU A 58 -8.303 -27.002 -26.326 1.00 0.00 C ATOM 537 O GLU A 58 -7.279 -26.451 -25.910 1.00 0.00 O ATOM 538 CB GLU A 58 -7.677 -29.412 -25.921 1.00 0.00 C ATOM 539 CG GLU A 58 -7.753 -30.882 -26.337 1.00 0.00 C ATOM 540 CD GLU A 58 -7.265 -31.829 -25.235 1.00 0.00 C ATOM 541 OE1 GLU A 58 -6.061 -31.812 -24.918 1.00 0.00 O ATOM 542 OE2 GLU A 58 -8.089 -32.563 -24.650 1.00 0.00 O ATOM 0 H GLU A 58 -6.624 -27.697 -28.120 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.227 -28.750 -27.254 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.636 -29.161 -25.717 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.224 -29.286 -24.987 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.782 -31.130 -26.596 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.153 -31.034 -27.234 1.00 0.00 H new ATOM 549 N CYS A 59 -9.514 -26.439 -26.298 1.00 0.00 N ATOM 550 CA CYS A 59 -9.846 -25.141 -25.669 1.00 0.00 C ATOM 551 C CYS A 59 -9.325 -25.036 -24.220 1.00 0.00 C ATOM 552 O CYS A 59 -9.626 -25.903 -23.419 1.00 0.00 O ATOM 553 CB CYS A 59 -11.376 -25.031 -25.694 1.00 0.00 C ATOM 554 SG CYS A 59 -12.105 -23.628 -24.821 1.00 0.00 S ATOM 0 H CYS A 59 -10.326 -26.884 -26.726 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.367 -24.330 -26.217 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.697 -24.987 -26.735 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.790 -25.947 -25.271 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.273 -23.362 -25.326 1.00 0.00 H new ATOM 559 N GLU A 60 -8.562 -23.967 -23.884 1.00 0.00 N ATOM 560 CA GLU A 60 -7.973 -23.803 -22.528 1.00 0.00 C ATOM 561 C GLU A 60 -9.050 -23.506 -21.454 1.00 0.00 C ATOM 562 O GLU A 60 -8.772 -23.594 -20.253 1.00 0.00 O ATOM 563 CB GLU A 60 -6.892 -22.688 -22.518 1.00 0.00 C ATOM 564 CG GLU A 60 -7.420 -21.271 -22.817 1.00 0.00 C ATOM 565 CD GLU A 60 -6.383 -20.174 -22.529 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.370 -20.095 -23.251 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.575 -19.382 -21.585 1.00 0.00 O ATOM 0 H GLU A 60 -8.340 -23.208 -24.528 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.503 -24.754 -22.276 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.407 -22.681 -21.542 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.126 -22.937 -23.253 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.721 -21.214 -23.863 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.312 -21.087 -22.218 1.00 0.00 H new ATOM 574 N GLU A 61 -10.273 -23.161 -21.902 1.00 0.00 N ATOM 575 CA GLU A 61 -11.383 -22.768 -21.020 1.00 0.00 C ATOM 576 C GLU A 61 -12.143 -24.000 -20.542 1.00 0.00 C ATOM 577 O GLU A 61 -12.291 -24.227 -19.338 1.00 0.00 O ATOM 578 CB GLU A 61 -12.349 -21.820 -21.778 1.00 0.00 C ATOM 579 CG GLU A 61 -11.676 -20.575 -22.361 1.00 0.00 C ATOM 580 CD GLU A 61 -11.141 -19.577 -21.321 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.987 -19.712 -20.877 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.876 -18.636 -20.958 1.00 0.00 O ATOM 0 H GLU A 61 -10.517 -23.148 -22.892 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.973 -22.249 -20.154 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.825 -22.375 -22.587 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.141 -21.507 -21.098 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.849 -20.892 -22.997 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.392 -20.060 -23.002 1.00 0.00 H new ATOM 589 N CYS A 62 -12.609 -24.806 -21.508 1.00 0.00 N ATOM 590 CA CYS A 62 -13.562 -25.899 -21.228 1.00 0.00 C ATOM 591 C CYS A 62 -13.141 -27.226 -21.890 1.00 0.00 C ATOM 592 O CYS A 62 -13.944 -28.164 -21.963 1.00 0.00 O ATOM 593 CB CYS A 62 -14.977 -25.448 -21.677 1.00 0.00 C ATOM 594 SG CYS A 62 -15.266 -25.404 -23.481 1.00 0.00 S ATOM 0 H CYS A 62 -12.344 -24.724 -22.490 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.570 -26.099 -20.157 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.710 -26.118 -21.227 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.165 -24.453 -21.274 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.263 -24.821 -24.067 1.00 0.00 H new ATOM 599 N GLY A 63 -11.866 -27.295 -22.347 1.00 0.00 N ATOM 600 CA GLY A 63 -11.286 -28.486 -23.016 1.00 0.00 C ATOM 601 C GLY A 63 -12.043 -28.961 -24.252 1.00 0.00 C ATOM 602 O GLY A 63 -11.865 -30.094 -24.706 1.00 0.00 O ATOM 0 H GLY A 63 -11.207 -26.521 -22.261 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.259 -28.260 -23.302 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.244 -29.304 -22.297 1.00 0.00 H new ATOM 606 N ALA A 64 -12.870 -28.066 -24.805 1.00 0.00 N ATOM 607 CA ALA A 64 -13.778 -28.370 -25.919 1.00 0.00 C ATOM 608 C ALA A 64 -13.008 -28.500 -27.252 1.00 0.00 C ATOM 609 O ALA A 64 -11.996 -27.790 -27.431 1.00 0.00 O ATOM 610 CB ALA A 64 -14.859 -27.288 -26.006 1.00 0.00 C ATOM 0 H ALA A 64 -12.929 -27.098 -24.488 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.255 -29.332 -25.732 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.533 -27.513 -26.832 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.424 -27.262 -25.074 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.390 -26.318 -26.174 1.00 0.00 H new ATOM 616 N PRO A 65 -13.474 -29.389 -28.194 1.00 0.00 N ATOM 617 CA PRO A 65 -12.831 -29.583 -29.516 1.00 0.00 C ATOM 618 C PRO A 65 -12.641 -28.270 -30.303 1.00 0.00 C ATOM 619 O PRO A 65 -13.618 -27.626 -30.697 1.00 0.00 O ATOM 620 CB PRO A 65 -13.802 -30.544 -30.263 1.00 0.00 C ATOM 621 CG PRO A 65 -14.501 -31.290 -29.171 1.00 0.00 C ATOM 622 CD PRO A 65 -14.659 -30.292 -28.041 1.00 0.00 C ATOM 0 HA PRO A 65 -11.821 -29.978 -29.410 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.509 -29.992 -30.883 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.261 -31.221 -30.923 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.470 -31.661 -29.506 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.921 -32.156 -28.852 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.596 -29.740 -28.122 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.663 -30.785 -27.069 1.00 0.00 H new ATOM 630 N ILE A 66 -11.376 -27.863 -30.454 1.00 0.00 N ATOM 631 CA ILE A 66 -10.986 -26.752 -31.328 1.00 0.00 C ATOM 632 C ILE A 66 -11.152 -27.201 -32.793 1.00 0.00 C ATOM 633 O ILE A 66 -10.565 -28.216 -33.174 1.00 0.00 O ATOM 634 CB ILE A 66 -9.486 -26.346 -31.065 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.297 -25.884 -29.602 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.985 -25.262 -32.060 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.769 -24.491 -29.311 1.00 0.00 C ATOM 0 H ILE A 66 -10.590 -28.298 -29.971 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.617 -25.888 -31.123 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.876 -27.234 -31.233 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.827 -26.575 -28.947 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.239 -25.953 -29.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.947 -25.016 -31.838 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.058 -25.642 -33.079 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.599 -24.367 -31.962 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.594 -24.260 -28.260 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.222 -23.784 -29.934 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.835 -24.416 -29.526 1.00 0.00 H new ATOM 649 N PRO A 67 -11.967 -26.487 -33.624 1.00 0.00 N ATOM 650 CA PRO A 67 -12.068 -26.797 -35.055 1.00 0.00 C ATOM 651 C PRO A 67 -10.833 -26.268 -35.812 1.00 0.00 C ATOM 652 O PRO A 67 -10.239 -25.242 -35.425 1.00 0.00 O ATOM 653 CB PRO A 67 -13.372 -26.081 -35.485 1.00 0.00 C ATOM 654 CG PRO A 67 -13.474 -24.905 -34.563 1.00 0.00 C ATOM 655 CD PRO A 67 -12.838 -25.342 -33.248 1.00 0.00 C ATOM 0 HA PRO A 67 -12.097 -27.865 -35.272 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.327 -25.766 -36.527 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.236 -26.738 -35.388 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.957 -24.039 -34.977 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.514 -24.615 -34.415 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.261 -24.534 -32.797 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.593 -25.639 -32.520 1.00 0.00 H new ATOM 663 N GLN A 68 -10.464 -26.973 -36.895 1.00 0.00 N ATOM 664 CA GLN A 68 -9.351 -26.584 -37.779 1.00 0.00 C ATOM 665 C GLN A 68 -9.615 -25.209 -38.412 1.00 0.00 C ATOM 666 O GLN A 68 -8.677 -24.536 -38.835 1.00 0.00 O ATOM 667 CB GLN A 68 -9.120 -27.668 -38.874 1.00 0.00 C ATOM 668 CG GLN A 68 -10.271 -27.823 -39.927 1.00 0.00 C ATOM 669 CD GLN A 68 -9.951 -27.274 -41.342 1.00 0.00 C ATOM 670 OE1 GLN A 68 -10.475 -27.778 -42.340 1.00 0.00 O ATOM 671 NE2 GLN A 68 -9.105 -26.248 -41.447 1.00 0.00 N ATOM 0 H GLN A 68 -10.931 -27.833 -37.183 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.444 -26.508 -37.179 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.197 -27.433 -39.403 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.970 -28.629 -38.382 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.523 -28.880 -40.013 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.158 -27.314 -39.549 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.683 -25.847 -40.609 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.880 -25.865 -42.365 1.00 0.00 H new ATOM 680 N ALA A 69 -10.910 -24.817 -38.450 1.00 0.00 N ATOM 681 CA ALA A 69 -11.374 -23.525 -38.969 1.00 0.00 C ATOM 682 C ALA A 69 -10.764 -22.376 -38.149 1.00 0.00 C ATOM 683 O ALA A 69 -10.183 -21.442 -38.701 1.00 0.00 O ATOM 684 CB ALA A 69 -12.913 -23.481 -38.924 1.00 0.00 C ATOM 0 H ALA A 69 -11.670 -25.407 -38.112 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.051 -23.407 -40.003 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.261 -22.522 -39.309 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.318 -24.287 -39.536 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.251 -23.603 -37.895 1.00 0.00 H new ATOM 690 N ARG A 70 -10.878 -22.491 -36.808 1.00 0.00 N ATOM 691 CA ARG A 70 -10.282 -21.526 -35.861 1.00 0.00 C ATOM 692 C ARG A 70 -8.745 -21.572 -35.902 1.00 0.00 C ATOM 693 O ARG A 70 -8.093 -20.549 -35.696 1.00 0.00 O ATOM 694 CB ARG A 70 -10.782 -21.784 -34.412 1.00 0.00 C ATOM 695 CG ARG A 70 -12.285 -21.495 -34.162 1.00 0.00 C ATOM 696 CD ARG A 70 -12.652 -19.986 -34.185 1.00 0.00 C ATOM 697 NE ARG A 70 -12.605 -19.399 -35.545 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.695 -18.091 -35.837 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.837 -17.177 -34.886 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.616 -17.698 -37.094 1.00 0.00 N ATOM 0 H ARG A 70 -11.383 -23.252 -36.354 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.603 -20.532 -36.171 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.583 -22.825 -34.158 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.194 -21.171 -33.729 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.874 -22.013 -34.918 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.569 -21.912 -33.196 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.653 -19.855 -33.773 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.966 -19.441 -33.536 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.495 -20.044 -36.327 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.880 -17.462 -33.907 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.903 -16.190 -35.133 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.487 -18.386 -37.836 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.684 -16.706 -37.324 1.00 0.00 H new ATOM 714 N ARG A 71 -8.180 -22.767 -36.162 1.00 0.00 N ATOM 715 CA ARG A 71 -6.713 -22.979 -36.181 1.00 0.00 C ATOM 716 C ARG A 71 -6.038 -22.265 -37.362 1.00 0.00 C ATOM 717 O ARG A 71 -4.954 -21.696 -37.206 1.00 0.00 O ATOM 718 CB ARG A 71 -6.361 -24.488 -36.217 1.00 0.00 C ATOM 719 CG ARG A 71 -6.874 -25.290 -35.007 1.00 0.00 C ATOM 720 CD ARG A 71 -6.340 -26.729 -34.968 1.00 0.00 C ATOM 721 NE ARG A 71 -4.883 -26.777 -34.724 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.218 -27.841 -34.250 1.00 0.00 C ATOM 723 NH1 ARG A 71 -4.841 -28.995 -34.031 1.00 0.00 N ATOM 724 NH2 ARG A 71 -2.922 -27.747 -34.007 1.00 0.00 N ATOM 0 H ARG A 71 -8.720 -23.609 -36.364 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.330 -22.545 -35.257 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.774 -24.923 -37.127 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.278 -24.595 -36.275 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.585 -24.777 -34.090 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.964 -25.314 -35.030 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.856 -27.285 -34.186 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.565 -27.224 -35.913 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.342 -25.937 -34.932 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.839 -29.080 -34.224 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.321 -29.795 -33.670 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.433 -26.869 -34.180 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.411 -28.553 -33.646 1.00 0.00 H new ATOM 738 N GLU A 72 -6.686 -22.312 -38.537 1.00 0.00 N ATOM 739 CA GLU A 72 -6.120 -21.766 -39.782 1.00 0.00 C ATOM 740 C GLU A 72 -6.453 -20.266 -39.925 1.00 0.00 C ATOM 741 O GLU A 72 -5.687 -19.503 -40.530 1.00 0.00 O ATOM 742 CB GLU A 72 -6.576 -22.629 -41.006 1.00 0.00 C ATOM 743 CG GLU A 72 -8.096 -22.674 -41.321 1.00 0.00 C ATOM 744 CD GLU A 72 -8.614 -21.484 -42.143 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.212 -21.357 -43.317 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.389 -20.658 -41.625 1.00 0.00 O ATOM 0 H GLU A 72 -7.611 -22.727 -38.651 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.032 -21.827 -39.747 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.059 -22.258 -41.891 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.235 -23.651 -40.843 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.315 -23.595 -41.862 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.647 -22.717 -40.382 1.00 0.00 H new ATOM 753 N ALA A 73 -7.598 -19.851 -39.350 1.00 0.00 N ATOM 754 CA ALA A 73 -8.011 -18.430 -39.307 1.00 0.00 C ATOM 755 C ALA A 73 -7.151 -17.644 -38.304 1.00 0.00 C ATOM 756 O ALA A 73 -6.643 -16.562 -38.611 1.00 0.00 O ATOM 757 CB ALA A 73 -9.504 -18.312 -38.944 1.00 0.00 C ATOM 0 H ALA A 73 -8.261 -20.485 -38.904 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.861 -18.001 -40.298 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.790 -17.261 -38.917 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.103 -18.832 -39.692 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.677 -18.760 -37.966 1.00 0.00 H new ATOM 763 N ILE A 74 -6.991 -18.222 -37.103 1.00 0.00 N ATOM 764 CA ILE A 74 -6.289 -17.588 -35.973 1.00 0.00 C ATOM 765 C ILE A 74 -4.991 -18.378 -35.675 1.00 0.00 C ATOM 766 O ILE A 74 -5.067 -19.482 -35.117 1.00 0.00 O ATOM 767 CB ILE A 74 -7.204 -17.556 -34.690 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.615 -16.972 -35.034 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.530 -16.766 -33.529 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.601 -16.961 -33.881 1.00 0.00 C ATOM 0 H ILE A 74 -7.349 -19.152 -36.886 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.045 -16.560 -36.241 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.337 -18.582 -34.346 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.491 -15.952 -35.397 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.042 -17.551 -35.853 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.188 -16.764 -32.660 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.584 -17.241 -33.267 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.345 -15.740 -33.847 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.548 -16.539 -34.216 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.762 -17.980 -33.530 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.202 -16.356 -33.067 1.00 0.00 H new ATOM 782 N PRO A 75 -3.794 -17.856 -36.093 1.00 0.00 N ATOM 783 CA PRO A 75 -2.488 -18.478 -35.769 1.00 0.00 C ATOM 784 C PRO A 75 -2.192 -18.407 -34.250 1.00 0.00 C ATOM 785 O PRO A 75 -1.734 -17.375 -33.734 1.00 0.00 O ATOM 786 CB PRO A 75 -1.464 -17.665 -36.617 1.00 0.00 C ATOM 787 CG PRO A 75 -2.138 -16.352 -36.882 1.00 0.00 C ATOM 788 CD PRO A 75 -3.624 -16.645 -36.944 1.00 0.00 C ATOM 0 HA PRO A 75 -2.453 -19.542 -36.004 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.527 -17.526 -36.078 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.224 -18.180 -37.547 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.915 -15.634 -36.093 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.788 -15.916 -37.818 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.211 -15.808 -36.567 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.951 -16.828 -37.967 1.00 0.00 H new ATOM 796 N GLY A 76 -2.515 -19.504 -33.543 1.00 0.00 N ATOM 797 CA GLY A 76 -2.323 -19.611 -32.095 1.00 0.00 C ATOM 798 C GLY A 76 -3.628 -19.481 -31.320 1.00 0.00 C ATOM 799 O GLY A 76 -3.650 -18.892 -30.229 1.00 0.00 O ATOM 0 H GLY A 76 -2.917 -20.341 -33.965 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.861 -20.571 -31.863 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.630 -18.836 -31.766 1.00 0.00 H new ATOM 803 N VAL A 77 -4.732 -20.048 -31.868 1.00 0.00 N ATOM 804 CA VAL A 77 -6.040 -20.037 -31.183 1.00 0.00 C ATOM 805 C VAL A 77 -6.003 -20.984 -29.971 1.00 0.00 C ATOM 806 O VAL A 77 -5.376 -22.050 -30.018 1.00 0.00 O ATOM 807 CB VAL A 77 -7.248 -20.409 -32.130 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.162 -21.861 -32.644 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.612 -20.157 -31.433 1.00 0.00 C ATOM 0 H VAL A 77 -4.739 -20.514 -32.775 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.213 -19.012 -30.854 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.178 -19.751 -32.996 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.014 -22.069 -33.291 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.238 -21.993 -33.207 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.173 -22.548 -31.798 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.422 -20.423 -32.112 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.678 -20.767 -30.532 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.695 -19.104 -31.165 1.00 0.00 H new ATOM 819 N ARG A 78 -6.660 -20.558 -28.882 1.00 0.00 N ATOM 820 CA ARG A 78 -6.710 -21.293 -27.601 1.00 0.00 C ATOM 821 C ARG A 78 -8.149 -21.369 -27.051 1.00 0.00 C ATOM 822 O ARG A 78 -8.384 -21.787 -25.917 1.00 0.00 O ATOM 823 CB ARG A 78 -5.679 -20.691 -26.575 1.00 0.00 C ATOM 824 CG ARG A 78 -5.202 -19.237 -26.859 1.00 0.00 C ATOM 825 CD ARG A 78 -6.285 -18.179 -26.613 1.00 0.00 C ATOM 826 NE ARG A 78 -6.612 -18.052 -25.177 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.241 -17.023 -24.606 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.652 -15.996 -25.330 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.482 -17.046 -23.311 1.00 0.00 N ATOM 0 H ARG A 78 -7.180 -19.681 -28.862 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.407 -22.325 -27.777 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.128 -20.717 -25.582 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.804 -21.340 -26.547 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.340 -19.016 -26.229 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.867 -19.169 -27.894 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.946 -17.216 -26.995 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.185 -18.444 -27.169 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.331 -18.820 -24.568 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.489 -15.984 -26.337 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.132 -15.215 -24.882 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.188 -17.847 -22.752 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.962 -16.263 -22.868 1.00 0.00 H new ATOM 843 N LEU A 79 -9.123 -21.008 -27.904 1.00 0.00 N ATOM 844 CA LEU A 79 -10.553 -20.946 -27.552 1.00 0.00 C ATOM 845 C LEU A 79 -11.387 -21.686 -28.609 1.00 0.00 C ATOM 846 O LEU A 79 -11.225 -21.433 -29.806 1.00 0.00 O ATOM 847 CB LEU A 79 -10.996 -19.470 -27.491 1.00 0.00 C ATOM 848 CG LEU A 79 -10.198 -18.564 -26.514 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.471 -17.078 -26.787 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.499 -18.930 -25.053 1.00 0.00 C ATOM 0 H LEU A 79 -8.937 -20.747 -28.872 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.706 -21.420 -26.582 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.921 -19.046 -28.492 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.048 -19.438 -27.209 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.136 -18.739 -26.687 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.899 -16.468 -26.088 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.174 -16.835 -27.807 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.534 -16.874 -26.660 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.927 -18.281 -24.390 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.564 -18.801 -24.858 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.220 -19.968 -24.873 1.00 0.00 H new ATOM 862 N CYS A 80 -12.269 -22.615 -28.164 1.00 0.00 N ATOM 863 CA CYS A 80 -13.224 -23.307 -29.062 1.00 0.00 C ATOM 864 C CYS A 80 -14.220 -22.273 -29.577 1.00 0.00 C ATOM 865 O CYS A 80 -14.418 -21.275 -28.895 1.00 0.00 O ATOM 866 CB CYS A 80 -13.954 -24.458 -28.325 1.00 0.00 C ATOM 867 SG CYS A 80 -15.163 -23.917 -27.079 1.00 0.00 S ATOM 0 H CYS A 80 -12.338 -22.902 -27.188 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.686 -23.758 -29.896 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.465 -25.077 -29.063 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.210 -25.090 -27.839 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.997 -24.884 -26.836 1.00 0.00 H new ATOM 872 N ILE A 81 -14.876 -22.529 -30.729 1.00 0.00 N ATOM 873 CA ILE A 81 -15.692 -21.519 -31.469 1.00 0.00 C ATOM 874 C ILE A 81 -16.731 -20.814 -30.557 1.00 0.00 C ATOM 875 O ILE A 81 -17.066 -19.645 -30.770 1.00 0.00 O ATOM 876 CB ILE A 81 -16.415 -22.187 -32.699 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.141 -21.120 -33.592 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.395 -23.300 -32.244 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.894 -21.690 -34.784 1.00 0.00 C ATOM 0 H ILE A 81 -14.860 -23.443 -31.181 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.002 -20.755 -31.827 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.645 -22.655 -33.311 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.842 -20.563 -32.970 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.401 -20.407 -33.955 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.877 -23.740 -33.117 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.845 -24.072 -31.706 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.153 -22.872 -31.589 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.362 -20.878 -35.341 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.198 -22.221 -35.434 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.662 -22.380 -34.433 1.00 0.00 H new ATOM 891 N HIS A 82 -17.153 -21.533 -29.503 1.00 0.00 N ATOM 892 CA HIS A 82 -18.111 -21.050 -28.493 1.00 0.00 C ATOM 893 C HIS A 82 -17.431 -19.989 -27.598 1.00 0.00 C ATOM 894 O HIS A 82 -17.860 -18.839 -27.557 1.00 0.00 O ATOM 895 CB HIS A 82 -18.643 -22.244 -27.650 1.00 0.00 C ATOM 896 CG HIS A 82 -19.100 -23.411 -28.479 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.342 -23.478 -29.062 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.442 -24.527 -28.873 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.433 -24.579 -29.781 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.298 -25.237 -29.677 1.00 0.00 N ATOM 0 H HIS A 82 -16.832 -22.485 -29.326 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.963 -20.584 -28.989 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.858 -22.577 -26.971 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.473 -21.901 -27.033 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.434 -24.806 -28.605 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.292 -24.888 -30.357 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.088 -26.130 -30.122 1.00 0.00 H new ATOM 909 N CYS A 83 -16.311 -20.374 -26.933 1.00 0.00 N ATOM 910 CA CYS A 83 -15.549 -19.447 -26.060 1.00 0.00 C ATOM 911 C CYS A 83 -14.808 -18.380 -26.896 1.00 0.00 C ATOM 912 O CYS A 83 -14.366 -17.389 -26.351 1.00 0.00 O ATOM 913 CB CYS A 83 -14.516 -20.189 -25.180 1.00 0.00 C ATOM 914 SG CYS A 83 -15.173 -21.522 -24.137 1.00 0.00 S ATOM 0 H CYS A 83 -15.919 -21.314 -26.985 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.283 -18.968 -25.411 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.748 -20.608 -25.830 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.025 -19.459 -24.536 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.321 -22.598 -24.851 1.00 0.00 H new ATOM 919 N GLN A 84 -14.634 -18.613 -28.214 1.00 0.00 N ATOM 920 CA GLN A 84 -13.863 -17.703 -29.086 1.00 0.00 C ATOM 921 C GLN A 84 -14.747 -16.519 -29.508 1.00 0.00 C ATOM 922 O GLN A 84 -14.336 -15.374 -29.365 1.00 0.00 O ATOM 923 CB GLN A 84 -13.298 -18.459 -30.339 1.00 0.00 C ATOM 924 CG GLN A 84 -11.960 -17.910 -30.918 1.00 0.00 C ATOM 925 CD GLN A 84 -11.967 -16.408 -31.230 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.377 -15.997 -32.311 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.524 -15.585 -30.280 1.00 0.00 N ATOM 0 H GLN A 84 -15.018 -19.425 -28.698 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.009 -17.323 -28.526 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.154 -19.506 -30.073 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.051 -18.431 -31.127 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.160 -18.116 -30.207 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.723 -18.456 -31.831 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.190 -15.962 -29.393 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.519 -14.578 -30.440 1.00 0.00 H new