USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=7 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 154:sc= 0.313 USER MOD Set 1.2: A 62 CYS SG : rot -43:sc= -1.61 USER MOD Set 1.3: A 80 CYS SG : rot 160:sc= -0.561 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0861 X(o=-2.5,f=-2.4) USER MOD Set 1.5: A 83 CYS SG : rot 81:sc= -0.518 USER MOD Single : A 38 THR OG1 : rot 35:sc= 0.0432 USER MOD Single : A 55 SER OG : rot -106:sc= 0.668 USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 84 GLN : amide:sc= -1.68! C(o=-1.7!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 10.881 -19.685 -26.838 1.00 0.00 N ATOM 235 CA THR A 38 11.696 -20.813 -26.370 1.00 0.00 C ATOM 236 C THR A 38 11.324 -21.203 -24.925 1.00 0.00 C ATOM 237 O THR A 38 11.175 -22.389 -24.615 1.00 0.00 O ATOM 238 CB THR A 38 13.211 -20.449 -26.460 1.00 0.00 C ATOM 239 OG1 THR A 38 13.570 -20.195 -27.830 1.00 0.00 O ATOM 240 CG2 THR A 38 14.113 -21.554 -25.890 1.00 0.00 C ATOM 0 HA THR A 38 11.496 -21.671 -27.012 1.00 0.00 H new ATOM 0 HB THR A 38 13.365 -19.554 -25.857 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.821 -19.760 -28.289 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.157 -21.252 -25.976 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.868 -21.718 -24.841 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.955 -22.477 -26.448 1.00 0.00 H new ATOM 248 N ILE A 39 11.148 -20.180 -24.066 1.00 0.00 N ATOM 249 CA ILE A 39 10.916 -20.369 -22.615 1.00 0.00 C ATOM 250 C ILE A 39 9.568 -21.081 -22.382 1.00 0.00 C ATOM 251 O ILE A 39 9.470 -22.026 -21.587 1.00 0.00 O ATOM 252 CB ILE A 39 10.938 -18.994 -21.832 1.00 0.00 C ATOM 253 CG1 ILE A 39 12.163 -18.109 -22.253 1.00 0.00 C ATOM 254 CG2 ILE A 39 10.907 -19.212 -20.295 1.00 0.00 C ATOM 255 CD1 ILE A 39 13.524 -18.773 -22.132 1.00 0.00 C ATOM 0 H ILE A 39 11.162 -19.202 -24.354 1.00 0.00 H new ATOM 0 HA ILE A 39 11.728 -20.986 -22.230 1.00 0.00 H new ATOM 0 HB ILE A 39 10.032 -18.454 -22.107 1.00 0.00 H new ATOM 0 HG12 ILE A 39 12.023 -17.794 -23.287 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.163 -17.206 -21.642 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.923 -18.246 -19.790 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.999 -19.749 -20.022 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.777 -19.794 -19.992 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.299 -18.075 -22.448 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.697 -19.062 -21.095 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.554 -19.659 -22.766 1.00 0.00 H new ATOM 267 N GLU A 40 8.550 -20.635 -23.136 1.00 0.00 N ATOM 268 CA GLU A 40 7.183 -21.183 -23.064 1.00 0.00 C ATOM 269 C GLU A 40 7.138 -22.615 -23.636 1.00 0.00 C ATOM 270 O GLU A 40 6.404 -23.467 -23.131 1.00 0.00 O ATOM 271 CB GLU A 40 6.195 -20.248 -23.814 1.00 0.00 C ATOM 272 CG GLU A 40 6.427 -20.156 -25.336 1.00 0.00 C ATOM 273 CD GLU A 40 5.506 -19.164 -26.057 1.00 0.00 C ATOM 274 OE1 GLU A 40 5.680 -17.941 -25.870 1.00 0.00 O ATOM 275 OE2 GLU A 40 4.614 -19.594 -26.816 1.00 0.00 O ATOM 0 H GLU A 40 8.651 -19.881 -23.816 1.00 0.00 H new ATOM 0 HA GLU A 40 6.880 -21.236 -22.018 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.178 -20.598 -23.635 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.268 -19.247 -23.388 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.463 -19.869 -25.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.289 -21.145 -25.773 1.00 0.00 H new ATOM 282 N ASP A 41 7.953 -22.857 -24.686 1.00 0.00 N ATOM 283 CA ASP A 41 8.060 -24.174 -25.350 1.00 0.00 C ATOM 284 C ASP A 41 8.815 -25.186 -24.467 1.00 0.00 C ATOM 285 O ASP A 41 8.577 -26.402 -24.546 1.00 0.00 O ATOM 286 CB ASP A 41 8.749 -24.032 -26.731 1.00 0.00 C ATOM 287 CG ASP A 41 8.906 -25.372 -27.481 1.00 0.00 C ATOM 288 OD1 ASP A 41 7.876 -25.958 -27.892 1.00 0.00 O ATOM 289 OD2 ASP A 41 10.050 -25.862 -27.641 1.00 0.00 O ATOM 0 H ASP A 41 8.555 -22.144 -25.097 1.00 0.00 H new ATOM 0 HA ASP A 41 7.050 -24.555 -25.503 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.170 -23.345 -27.348 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.733 -23.584 -26.593 1.00 0.00 H new ATOM 294 N ALA A 42 9.717 -24.671 -23.621 1.00 0.00 N ATOM 295 CA ALA A 42 10.485 -25.490 -22.673 1.00 0.00 C ATOM 296 C ALA A 42 9.560 -26.040 -21.567 1.00 0.00 C ATOM 297 O ALA A 42 9.740 -27.169 -21.098 1.00 0.00 O ATOM 298 CB ALA A 42 11.643 -24.671 -22.087 1.00 0.00 C ATOM 0 H ALA A 42 9.935 -23.676 -23.574 1.00 0.00 H new ATOM 0 HA ALA A 42 10.912 -26.343 -23.200 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.206 -25.287 -21.386 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.301 -24.344 -22.892 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.246 -23.800 -21.567 1.00 0.00 H new ATOM 304 N ILE A 43 8.563 -25.231 -21.164 1.00 0.00 N ATOM 305 CA ILE A 43 7.536 -25.652 -20.184 1.00 0.00 C ATOM 306 C ILE A 43 6.358 -26.374 -20.911 1.00 0.00 C ATOM 307 O ILE A 43 5.574 -27.107 -20.286 1.00 0.00 O ATOM 308 CB ILE A 43 7.022 -24.433 -19.321 1.00 0.00 C ATOM 309 CG1 ILE A 43 8.207 -23.523 -18.849 1.00 0.00 C ATOM 310 CG2 ILE A 43 6.204 -24.909 -18.087 1.00 0.00 C ATOM 311 CD1 ILE A 43 9.203 -24.186 -17.905 1.00 0.00 C ATOM 0 H ILE A 43 8.444 -24.276 -21.502 1.00 0.00 H new ATOM 0 HA ILE A 43 7.996 -26.358 -19.493 1.00 0.00 H new ATOM 0 HB ILE A 43 6.368 -23.848 -19.967 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.745 -23.171 -19.729 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.793 -22.644 -18.355 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.867 -24.043 -17.518 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.339 -25.481 -18.423 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.832 -25.537 -17.455 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.983 -23.472 -17.639 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.687 -24.513 -17.002 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.653 -25.048 -18.398 1.00 0.00 H new ATOM 323 N ALA A 44 6.261 -26.173 -22.243 1.00 0.00 N ATOM 324 CA ALA A 44 5.273 -26.860 -23.106 1.00 0.00 C ATOM 325 C ALA A 44 5.619 -28.351 -23.260 1.00 0.00 C ATOM 326 O ALA A 44 4.731 -29.208 -23.283 1.00 0.00 O ATOM 327 CB ALA A 44 5.199 -26.192 -24.489 1.00 0.00 C ATOM 0 H ALA A 44 6.866 -25.529 -22.752 1.00 0.00 H new ATOM 0 HA ALA A 44 4.298 -26.778 -22.625 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.467 -26.713 -25.106 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.901 -25.150 -24.374 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.177 -26.239 -24.968 1.00 0.00 H new ATOM 333 N ARG A 45 6.922 -28.648 -23.379 1.00 0.00 N ATOM 334 CA ARG A 45 7.416 -30.038 -23.439 1.00 0.00 C ATOM 335 C ARG A 45 7.515 -30.638 -22.021 1.00 0.00 C ATOM 336 O ARG A 45 7.530 -31.868 -21.858 1.00 0.00 O ATOM 337 CB ARG A 45 8.788 -30.092 -24.161 1.00 0.00 C ATOM 338 CG ARG A 45 9.959 -29.456 -23.378 1.00 0.00 C ATOM 339 CD ARG A 45 11.298 -29.528 -24.127 1.00 0.00 C ATOM 340 NE ARG A 45 11.319 -28.690 -25.342 1.00 0.00 N ATOM 341 CZ ARG A 45 12.425 -28.356 -26.027 1.00 0.00 C ATOM 342 NH1 ARG A 45 13.634 -28.733 -25.614 1.00 0.00 N ATOM 343 NH2 ARG A 45 12.317 -27.628 -27.118 1.00 0.00 N ATOM 0 H ARG A 45 7.657 -27.943 -23.436 1.00 0.00 H new ATOM 0 HA ARG A 45 6.706 -30.636 -24.010 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.032 -31.134 -24.369 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.696 -29.588 -25.123 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.723 -28.413 -23.168 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.060 -29.959 -22.417 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.100 -29.213 -23.460 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.500 -30.563 -24.402 1.00 0.00 H new ATOM 0 HE ARG A 45 10.426 -28.338 -25.687 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.733 -29.286 -24.763 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.461 -28.469 -26.149 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.398 -27.322 -27.438 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.152 -27.370 -27.644 1.00 0.00 H new ATOM 357 N ALA A 46 7.597 -29.751 -21.000 1.00 0.00 N ATOM 358 CA ALA A 46 7.669 -30.158 -19.588 1.00 0.00 C ATOM 359 C ALA A 46 6.312 -30.706 -19.110 1.00 0.00 C ATOM 360 O ALA A 46 6.176 -31.909 -18.891 1.00 0.00 O ATOM 361 CB ALA A 46 8.138 -28.992 -18.701 1.00 0.00 C ATOM 0 H ALA A 46 7.615 -28.740 -21.138 1.00 0.00 H new ATOM 0 HA ALA A 46 8.405 -30.957 -19.502 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.182 -29.320 -17.662 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.128 -28.666 -19.021 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.437 -28.162 -18.790 1.00 0.00 H new ATOM 367 N ARG A 47 5.293 -29.828 -18.980 1.00 0.00 N ATOM 368 CA ARG A 47 3.953 -30.224 -18.459 1.00 0.00 C ATOM 369 C ARG A 47 2.829 -29.895 -19.458 1.00 0.00 C ATOM 370 O ARG A 47 1.679 -30.305 -19.257 1.00 0.00 O ATOM 371 CB ARG A 47 3.710 -29.570 -17.055 1.00 0.00 C ATOM 372 CG ARG A 47 3.422 -28.030 -17.006 1.00 0.00 C ATOM 373 CD ARG A 47 1.917 -27.705 -17.116 1.00 0.00 C ATOM 374 NE ARG A 47 1.589 -26.309 -16.770 1.00 0.00 N ATOM 375 CZ ARG A 47 0.384 -25.892 -16.340 1.00 0.00 C ATOM 376 NH1 ARG A 47 -0.620 -26.753 -16.167 1.00 0.00 N ATOM 377 NH2 ARG A 47 0.190 -24.612 -16.074 1.00 0.00 N ATOM 0 H ARG A 47 5.366 -28.841 -19.226 1.00 0.00 H new ATOM 0 HA ARG A 47 3.937 -31.307 -18.335 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.869 -30.083 -16.588 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.587 -29.767 -16.438 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.811 -27.621 -16.074 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.957 -27.538 -17.818 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.583 -27.906 -18.134 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.360 -28.374 -16.460 1.00 0.00 H new ATOM 0 HE ARG A 47 2.327 -25.611 -16.863 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.481 -27.745 -16.361 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.527 -26.420 -15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.952 -23.945 -16.195 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.722 -24.291 -15.748 1.00 0.00 H new ATOM 391 N GLY A 48 3.168 -29.173 -20.535 1.00 0.00 N ATOM 392 CA GLY A 48 2.176 -28.721 -21.519 1.00 0.00 C ATOM 393 C GLY A 48 1.518 -27.409 -21.120 1.00 0.00 C ATOM 394 O GLY A 48 0.295 -27.268 -21.211 1.00 0.00 O ATOM 0 H GLY A 48 4.125 -28.889 -20.747 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.659 -28.602 -22.489 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.410 -29.487 -21.637 1.00 0.00 H new ATOM 398 N GLU A 49 2.355 -26.461 -20.663 1.00 0.00 N ATOM 399 CA GLU A 49 1.927 -25.113 -20.216 1.00 0.00 C ATOM 400 C GLU A 49 1.213 -24.366 -21.357 1.00 0.00 C ATOM 401 O GLU A 49 0.024 -24.042 -21.278 1.00 0.00 O ATOM 402 CB GLU A 49 3.190 -24.327 -19.773 1.00 0.00 C ATOM 403 CG GLU A 49 2.954 -22.911 -19.205 1.00 0.00 C ATOM 404 CD GLU A 49 2.263 -22.908 -17.835 1.00 0.00 C ATOM 405 OE1 GLU A 49 2.844 -23.451 -16.867 1.00 0.00 O ATOM 406 OE2 GLU A 49 1.131 -22.393 -17.713 1.00 0.00 O ATOM 0 H GLU A 49 3.362 -26.606 -20.591 1.00 0.00 H new ATOM 0 HA GLU A 49 1.227 -25.204 -19.386 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.711 -24.915 -19.018 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.859 -24.244 -20.630 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.912 -22.398 -19.121 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.348 -22.342 -19.910 1.00 0.00 H new ATOM 413 N ILE A 50 1.983 -24.132 -22.421 1.00 0.00 N ATOM 414 CA ILE A 50 1.572 -23.404 -23.620 1.00 0.00 C ATOM 415 C ILE A 50 1.588 -24.413 -24.793 1.00 0.00 C ATOM 416 O ILE A 50 2.247 -25.453 -24.687 1.00 0.00 O ATOM 417 CB ILE A 50 2.586 -22.195 -23.853 1.00 0.00 C ATOM 418 CG1 ILE A 50 2.552 -21.205 -22.649 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.360 -21.423 -25.179 1.00 0.00 C ATOM 420 CD1 ILE A 50 1.204 -20.536 -22.395 1.00 0.00 C ATOM 0 H ILE A 50 2.948 -24.458 -22.472 1.00 0.00 H new ATOM 0 HA ILE A 50 0.572 -22.981 -23.530 1.00 0.00 H new ATOM 0 HB ILE A 50 3.571 -22.655 -23.931 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.848 -21.743 -21.748 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.299 -20.429 -22.816 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.090 -20.618 -25.260 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.477 -22.105 -26.021 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.354 -21.003 -25.189 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.285 -19.868 -21.538 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.910 -19.964 -23.275 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.452 -21.298 -22.190 1.00 0.00 H new ATOM 492 N SER A 55 -1.729 -23.341 -33.187 1.00 0.00 N ATOM 493 CA SER A 55 -3.154 -23.485 -32.913 1.00 0.00 C ATOM 494 C SER A 55 -3.428 -24.908 -32.394 1.00 0.00 C ATOM 495 O SER A 55 -3.285 -25.883 -33.138 1.00 0.00 O ATOM 496 CB SER A 55 -3.934 -23.193 -34.205 1.00 0.00 C ATOM 497 OG SER A 55 -3.653 -21.891 -34.694 1.00 0.00 O ATOM 0 HA SER A 55 -3.477 -22.780 -32.147 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.676 -23.932 -34.963 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.003 -23.290 -34.017 1.00 0.00 H new ATOM 0 HG SER A 55 -4.421 -21.306 -34.526 1.00 0.00 H new ATOM 503 N LEU A 56 -3.780 -25.011 -31.104 1.00 0.00 N ATOM 504 CA LEU A 56 -3.934 -26.311 -30.403 1.00 0.00 C ATOM 505 C LEU A 56 -5.250 -27.035 -30.812 1.00 0.00 C ATOM 506 O LEU A 56 -6.033 -26.513 -31.612 1.00 0.00 O ATOM 507 CB LEU A 56 -3.805 -26.094 -28.847 1.00 0.00 C ATOM 508 CG LEU A 56 -4.582 -24.879 -28.220 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.091 -25.044 -28.337 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.186 -24.600 -26.753 1.00 0.00 C ATOM 0 H LEU A 56 -3.967 -24.202 -30.511 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.130 -26.979 -30.711 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.144 -27.003 -28.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.748 -25.977 -28.610 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.284 -24.011 -28.808 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.587 -24.182 -27.891 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.368 -25.118 -29.388 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.399 -25.950 -27.815 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.756 -23.751 -26.377 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.401 -25.479 -26.145 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.121 -24.374 -26.700 1.00 0.00 H new ATOM 522 N ASP A 57 -5.481 -28.229 -30.235 1.00 0.00 N ATOM 523 CA ASP A 57 -6.656 -29.088 -30.542 1.00 0.00 C ATOM 524 C ASP A 57 -7.700 -29.056 -29.394 1.00 0.00 C ATOM 525 O ASP A 57 -8.845 -29.503 -29.554 1.00 0.00 O ATOM 526 CB ASP A 57 -6.161 -30.546 -30.786 1.00 0.00 C ATOM 527 CG ASP A 57 -7.267 -31.537 -31.207 1.00 0.00 C ATOM 528 OD1 ASP A 57 -7.543 -31.659 -32.420 1.00 0.00 O ATOM 529 OD2 ASP A 57 -7.865 -32.194 -30.331 1.00 0.00 O ATOM 0 H ASP A 57 -4.857 -28.634 -29.537 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.148 -28.706 -31.436 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.392 -30.530 -31.558 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.690 -30.913 -29.874 1.00 0.00 H new ATOM 534 N GLU A 58 -7.315 -28.436 -28.265 1.00 0.00 N ATOM 535 CA GLU A 58 -8.021 -28.560 -26.961 1.00 0.00 C ATOM 536 C GLU A 58 -8.128 -27.187 -26.269 1.00 0.00 C ATOM 537 O GLU A 58 -7.125 -26.637 -25.800 1.00 0.00 O ATOM 538 CB GLU A 58 -7.265 -29.546 -26.032 1.00 0.00 C ATOM 539 CG GLU A 58 -7.218 -30.998 -26.530 1.00 0.00 C ATOM 540 CD GLU A 58 -6.275 -31.876 -25.694 1.00 0.00 C ATOM 541 OE1 GLU A 58 -6.703 -32.365 -24.632 1.00 0.00 O ATOM 542 OE2 GLU A 58 -5.101 -32.069 -26.086 1.00 0.00 O ATOM 0 H GLU A 58 -6.498 -27.827 -28.223 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.024 -28.941 -27.154 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.243 -29.189 -25.902 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.736 -29.530 -25.049 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.222 -31.421 -26.503 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.895 -31.012 -27.571 1.00 0.00 H new ATOM 549 N CYS A 59 -9.349 -26.638 -26.261 1.00 0.00 N ATOM 550 CA CYS A 59 -9.717 -25.380 -25.561 1.00 0.00 C ATOM 551 C CYS A 59 -9.197 -25.316 -24.107 1.00 0.00 C ATOM 552 O CYS A 59 -9.455 -26.217 -23.330 1.00 0.00 O ATOM 553 CB CYS A 59 -11.250 -25.296 -25.566 1.00 0.00 C ATOM 554 SG CYS A 59 -11.963 -23.922 -24.629 1.00 0.00 S ATOM 0 H CYS A 59 -10.137 -27.061 -26.752 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.254 -24.542 -26.082 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.588 -25.221 -26.600 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.648 -26.229 -25.167 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.126 -23.617 -25.123 1.00 0.00 H new ATOM 559 N GLU A 60 -8.476 -24.242 -23.742 1.00 0.00 N ATOM 560 CA GLU A 60 -7.951 -24.058 -22.360 1.00 0.00 C ATOM 561 C GLU A 60 -9.057 -23.667 -21.339 1.00 0.00 C ATOM 562 O GLU A 60 -8.798 -23.608 -20.133 1.00 0.00 O ATOM 563 CB GLU A 60 -6.828 -22.990 -22.362 1.00 0.00 C ATOM 564 CG GLU A 60 -7.282 -21.601 -22.855 1.00 0.00 C ATOM 565 CD GLU A 60 -6.211 -20.513 -22.726 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.033 -20.763 -23.069 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.546 -19.392 -22.313 1.00 0.00 O ATOM 0 H GLU A 60 -8.238 -23.482 -24.379 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.552 -25.020 -22.039 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.431 -22.893 -21.351 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.011 -23.339 -22.993 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.583 -21.678 -23.900 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.164 -21.297 -22.291 1.00 0.00 H new ATOM 574 N GLU A 61 -10.286 -23.399 -21.825 1.00 0.00 N ATOM 575 CA GLU A 61 -11.423 -22.986 -20.966 1.00 0.00 C ATOM 576 C GLU A 61 -12.271 -24.183 -20.540 1.00 0.00 C ATOM 577 O GLU A 61 -12.745 -24.238 -19.404 1.00 0.00 O ATOM 578 CB GLU A 61 -12.326 -21.974 -21.703 1.00 0.00 C ATOM 579 CG GLU A 61 -11.609 -20.715 -22.176 1.00 0.00 C ATOM 580 CD GLU A 61 -11.016 -19.856 -21.046 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.766 -19.473 -20.127 1.00 0.00 O ATOM 582 OE2 GLU A 61 -9.809 -19.537 -21.083 1.00 0.00 O ATOM 0 H GLU A 61 -10.521 -23.461 -22.816 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.996 -22.522 -20.077 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.774 -22.467 -22.565 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.142 -21.685 -21.041 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.807 -21.003 -22.856 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.309 -20.107 -22.748 1.00 0.00 H new ATOM 589 N CYS A 62 -12.480 -25.137 -21.465 1.00 0.00 N ATOM 590 CA CYS A 62 -13.417 -26.256 -21.220 1.00 0.00 C ATOM 591 C CYS A 62 -12.988 -27.554 -21.939 1.00 0.00 C ATOM 592 O CYS A 62 -13.773 -28.495 -22.033 1.00 0.00 O ATOM 593 CB CYS A 62 -14.854 -25.824 -21.617 1.00 0.00 C ATOM 594 SG CYS A 62 -15.177 -25.687 -23.402 1.00 0.00 S ATOM 0 H CYS A 62 -12.022 -25.160 -22.376 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.399 -26.489 -20.155 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.558 -26.540 -21.194 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.064 -24.860 -21.154 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.171 -25.101 -23.981 1.00 0.00 H new ATOM 599 N GLY A 63 -11.718 -27.600 -22.406 1.00 0.00 N ATOM 600 CA GLY A 63 -11.139 -28.770 -23.117 1.00 0.00 C ATOM 601 C GLY A 63 -11.883 -29.206 -24.379 1.00 0.00 C ATOM 602 O GLY A 63 -11.642 -30.296 -24.902 1.00 0.00 O ATOM 0 H GLY A 63 -11.062 -26.826 -22.301 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.109 -28.537 -23.386 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.105 -29.613 -22.426 1.00 0.00 H new ATOM 606 N ALA A 64 -12.749 -28.320 -24.886 1.00 0.00 N ATOM 607 CA ALA A 64 -13.648 -28.606 -26.014 1.00 0.00 C ATOM 608 C ALA A 64 -12.866 -28.604 -27.346 1.00 0.00 C ATOM 609 O ALA A 64 -11.875 -27.859 -27.461 1.00 0.00 O ATOM 610 CB ALA A 64 -14.781 -27.569 -26.033 1.00 0.00 C ATOM 0 H ALA A 64 -12.847 -27.373 -24.521 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.081 -29.599 -25.891 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.450 -27.777 -26.868 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.339 -27.623 -25.098 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.359 -26.571 -26.147 1.00 0.00 H new ATOM 616 N PRO A 65 -13.303 -29.414 -28.369 1.00 0.00 N ATOM 617 CA PRO A 65 -12.580 -29.549 -29.653 1.00 0.00 C ATOM 618 C PRO A 65 -12.435 -28.201 -30.382 1.00 0.00 C ATOM 619 O PRO A 65 -13.429 -27.542 -30.684 1.00 0.00 O ATOM 620 CB PRO A 65 -13.462 -30.536 -30.472 1.00 0.00 C ATOM 621 CG PRO A 65 -14.812 -30.456 -29.831 1.00 0.00 C ATOM 622 CD PRO A 65 -14.536 -30.253 -28.364 1.00 0.00 C ATOM 0 HA PRO A 65 -11.559 -29.903 -29.513 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.505 -30.251 -31.523 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.064 -31.550 -30.433 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.395 -29.631 -30.241 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.385 -31.367 -30.002 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.364 -29.751 -27.863 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.378 -31.200 -27.848 1.00 0.00 H new ATOM 630 N ILE A 66 -11.191 -27.781 -30.582 1.00 0.00 N ATOM 631 CA ILE A 66 -10.856 -26.599 -31.381 1.00 0.00 C ATOM 632 C ILE A 66 -11.101 -26.891 -32.879 1.00 0.00 C ATOM 633 O ILE A 66 -10.453 -27.786 -33.424 1.00 0.00 O ATOM 634 CB ILE A 66 -9.356 -26.206 -31.135 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.126 -25.895 -29.637 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.915 -25.018 -32.031 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.614 -24.553 -29.180 1.00 0.00 C ATOM 0 H ILE A 66 -10.376 -28.253 -30.192 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.492 -25.766 -31.082 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.735 -27.057 -31.413 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.619 -26.664 -29.043 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.059 -25.966 -29.428 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.871 -24.778 -31.829 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.028 -25.292 -33.080 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.535 -24.149 -31.814 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.406 -24.433 -28.117 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.103 -23.770 -29.741 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.688 -24.479 -29.350 1.00 0.00 H new ATOM 649 N PRO A 67 -12.045 -26.167 -33.561 1.00 0.00 N ATOM 650 CA PRO A 67 -12.276 -26.335 -35.009 1.00 0.00 C ATOM 651 C PRO A 67 -11.165 -25.654 -35.829 1.00 0.00 C ATOM 652 O PRO A 67 -10.563 -24.662 -35.377 1.00 0.00 O ATOM 653 CB PRO A 67 -13.656 -25.669 -35.234 1.00 0.00 C ATOM 654 CG PRO A 67 -13.735 -24.611 -34.182 1.00 0.00 C ATOM 655 CD PRO A 67 -12.954 -25.137 -32.986 1.00 0.00 C ATOM 0 HA PRO A 67 -12.262 -27.377 -35.329 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.732 -25.242 -36.234 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.467 -26.391 -35.133 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.311 -23.673 -34.541 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.771 -24.409 -33.911 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.393 -24.341 -32.496 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.618 -25.567 -32.236 1.00 0.00 H new ATOM 663 N GLN A 68 -10.919 -26.184 -37.041 1.00 0.00 N ATOM 664 CA GLN A 68 -9.856 -25.692 -37.939 1.00 0.00 C ATOM 665 C GLN A 68 -10.105 -24.230 -38.355 1.00 0.00 C ATOM 666 O GLN A 68 -9.166 -23.526 -38.718 1.00 0.00 O ATOM 667 CB GLN A 68 -9.710 -26.617 -39.182 1.00 0.00 C ATOM 668 CG GLN A 68 -10.857 -26.538 -40.231 1.00 0.00 C ATOM 669 CD GLN A 68 -10.474 -25.781 -41.512 1.00 0.00 C ATOM 670 OE1 GLN A 68 -10.610 -24.460 -41.512 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.012 -26.376 -42.483 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.451 -26.965 -37.426 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.915 -25.718 -37.389 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.771 -26.376 -39.681 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.632 -27.648 -38.836 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.165 -27.549 -40.496 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.720 -26.051 -39.776 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.917 -27.391 -42.461 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.724 -25.855 -43.311 1.00 0.00 H new ATOM 680 N ALA A 69 -11.388 -23.800 -38.280 1.00 0.00 N ATOM 681 CA ALA A 69 -11.820 -22.425 -38.597 1.00 0.00 C ATOM 682 C ALA A 69 -11.178 -21.415 -37.631 1.00 0.00 C ATOM 683 O ALA A 69 -10.684 -20.370 -38.044 1.00 0.00 O ATOM 684 CB ALA A 69 -13.353 -22.330 -38.543 1.00 0.00 C ATOM 0 H ALA A 69 -12.156 -24.407 -37.995 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.490 -22.180 -39.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.663 -21.312 -38.778 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.786 -23.018 -39.269 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.699 -22.593 -37.543 1.00 0.00 H new ATOM 690 N ARG A 70 -11.175 -21.754 -36.337 1.00 0.00 N ATOM 691 CA ARG A 70 -10.540 -20.919 -35.292 1.00 0.00 C ATOM 692 C ARG A 70 -9.011 -20.912 -35.451 1.00 0.00 C ATOM 693 O ARG A 70 -8.350 -19.916 -35.144 1.00 0.00 O ATOM 694 CB ARG A 70 -10.966 -21.401 -33.883 1.00 0.00 C ATOM 695 CG ARG A 70 -12.484 -21.265 -33.586 1.00 0.00 C ATOM 696 CD ARG A 70 -12.997 -19.804 -33.564 1.00 0.00 C ATOM 697 NE ARG A 70 -13.014 -19.166 -34.896 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.893 -17.854 -35.138 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.760 -16.985 -34.143 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.914 -17.422 -36.384 1.00 0.00 N ATOM 0 H ARG A 70 -11.607 -22.606 -35.979 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.883 -19.891 -35.411 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.679 -22.446 -33.768 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.411 -20.834 -33.136 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.042 -21.823 -34.338 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.697 -21.728 -32.623 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.005 -19.787 -33.149 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.367 -19.216 -32.896 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.128 -19.779 -35.703 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.749 -17.313 -33.177 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.669 -15.989 -34.344 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.022 -18.085 -37.152 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.823 -16.425 -36.580 1.00 0.00 H new ATOM 714 N ARG A 71 -8.480 -22.040 -35.953 1.00 0.00 N ATOM 715 CA ARG A 71 -7.038 -22.240 -36.177 1.00 0.00 C ATOM 716 C ARG A 71 -6.522 -21.398 -37.357 1.00 0.00 C ATOM 717 O ARG A 71 -5.427 -20.826 -37.284 1.00 0.00 O ATOM 718 CB ARG A 71 -6.738 -23.742 -36.424 1.00 0.00 C ATOM 719 CG ARG A 71 -7.254 -24.688 -35.322 1.00 0.00 C ATOM 720 CD ARG A 71 -6.852 -26.149 -35.572 1.00 0.00 C ATOM 721 NE ARG A 71 -7.585 -27.083 -34.705 1.00 0.00 N ATOM 722 CZ ARG A 71 -7.148 -28.290 -34.331 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.925 -28.708 -34.639 1.00 0.00 N ATOM 724 NH2 ARG A 71 -7.941 -29.070 -33.632 1.00 0.00 N ATOM 0 H ARG A 71 -9.046 -22.847 -36.217 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.516 -21.909 -35.279 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.182 -24.036 -37.375 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.660 -23.873 -36.522 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.862 -24.366 -34.357 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.340 -24.617 -35.265 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.039 -26.402 -36.616 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.781 -26.263 -35.403 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.499 -26.787 -34.362 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.299 -28.104 -35.171 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.613 -29.633 -34.343 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.877 -28.752 -33.381 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.620 -29.993 -33.340 1.00 0.00 H new ATOM 738 N GLU A 72 -7.329 -21.310 -38.436 1.00 0.00 N ATOM 739 CA GLU A 72 -6.921 -20.621 -39.682 1.00 0.00 C ATOM 740 C GLU A 72 -7.158 -19.115 -39.559 1.00 0.00 C ATOM 741 O GLU A 72 -6.434 -18.314 -40.160 1.00 0.00 O ATOM 742 CB GLU A 72 -7.598 -21.240 -40.945 1.00 0.00 C ATOM 743 CG GLU A 72 -9.147 -21.302 -40.963 1.00 0.00 C ATOM 744 CD GLU A 72 -9.849 -20.025 -41.465 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.775 -19.741 -42.675 1.00 0.00 O ATOM 746 OE2 GLU A 72 -10.502 -19.325 -40.670 1.00 0.00 O ATOM 0 H GLU A 72 -8.268 -21.707 -38.470 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.851 -20.773 -39.821 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.273 -20.670 -41.815 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.218 -22.254 -41.068 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.454 -22.137 -41.592 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.498 -21.517 -39.954 1.00 0.00 H new ATOM 753 N ALA A 73 -8.175 -18.747 -38.771 1.00 0.00 N ATOM 754 CA ALA A 73 -8.450 -17.349 -38.410 1.00 0.00 C ATOM 755 C ALA A 73 -7.356 -16.802 -37.477 1.00 0.00 C ATOM 756 O ALA A 73 -6.842 -15.693 -37.682 1.00 0.00 O ATOM 757 CB ALA A 73 -9.832 -17.237 -37.744 1.00 0.00 C ATOM 0 H ALA A 73 -8.833 -19.412 -38.364 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.450 -16.750 -39.320 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.026 -16.197 -37.481 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.599 -17.585 -38.436 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.852 -17.849 -36.843 1.00 0.00 H new ATOM 763 N ILE A 74 -7.002 -17.605 -36.448 1.00 0.00 N ATOM 764 CA ILE A 74 -6.093 -17.182 -35.365 1.00 0.00 C ATOM 765 C ILE A 74 -4.937 -18.198 -35.217 1.00 0.00 C ATOM 766 O ILE A 74 -5.162 -19.313 -34.720 1.00 0.00 O ATOM 767 CB ILE A 74 -6.859 -17.043 -33.991 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.131 -16.156 -34.169 1.00 0.00 C ATOM 769 CG2 ILE A 74 -5.926 -16.489 -32.876 1.00 0.00 C ATOM 770 CD1 ILE A 74 -8.948 -15.945 -32.913 1.00 0.00 C ATOM 0 H ILE A 74 -7.339 -18.562 -36.348 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.690 -16.205 -35.630 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.179 -18.035 -33.674 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.825 -15.183 -34.553 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.769 -16.611 -34.927 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.484 -16.405 -31.943 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.084 -17.167 -32.736 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.556 -15.506 -33.167 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -9.809 -15.317 -33.140 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.291 -16.908 -32.536 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.333 -15.458 -32.156 1.00 0.00 H new ATOM 782 N PRO A 75 -3.690 -17.849 -35.684 1.00 0.00 N ATOM 783 CA PRO A 75 -2.482 -18.652 -35.401 1.00 0.00 C ATOM 784 C PRO A 75 -2.150 -18.607 -33.890 1.00 0.00 C ATOM 785 O PRO A 75 -1.899 -17.530 -33.329 1.00 0.00 O ATOM 786 CB PRO A 75 -1.380 -17.977 -36.267 1.00 0.00 C ATOM 787 CG PRO A 75 -1.864 -16.571 -36.472 1.00 0.00 C ATOM 788 CD PRO A 75 -3.375 -16.667 -36.533 1.00 0.00 C ATOM 0 HA PRO A 75 -2.593 -19.710 -35.641 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.414 -17.994 -35.762 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.252 -18.494 -37.218 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.545 -15.923 -35.656 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.460 -16.147 -37.392 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.849 -15.763 -36.152 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.726 -16.804 -37.556 1.00 0.00 H new ATOM 796 N GLY A 76 -2.199 -19.778 -33.243 1.00 0.00 N ATOM 797 CA GLY A 76 -2.016 -19.881 -31.793 1.00 0.00 C ATOM 798 C GLY A 76 -3.319 -19.687 -31.026 1.00 0.00 C ATOM 799 O GLY A 76 -3.312 -19.151 -29.907 1.00 0.00 O ATOM 0 H GLY A 76 -2.365 -20.672 -33.706 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.598 -20.858 -31.551 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.292 -19.135 -31.467 1.00 0.00 H new ATOM 803 N VAL A 77 -4.449 -20.121 -31.633 1.00 0.00 N ATOM 804 CA VAL A 77 -5.765 -20.100 -30.964 1.00 0.00 C ATOM 805 C VAL A 77 -5.763 -21.096 -29.792 1.00 0.00 C ATOM 806 O VAL A 77 -5.145 -22.164 -29.878 1.00 0.00 O ATOM 807 CB VAL A 77 -6.959 -20.430 -31.942 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.858 -21.859 -32.515 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.328 -20.217 -31.247 1.00 0.00 C ATOM 0 H VAL A 77 -4.472 -20.489 -32.584 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.924 -19.084 -30.602 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.886 -19.734 -32.778 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.700 -22.044 -33.183 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.925 -21.964 -33.069 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.878 -22.581 -31.698 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.131 -20.452 -31.945 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.400 -20.870 -30.378 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.417 -19.178 -30.929 1.00 0.00 H new ATOM 819 N ARG A 78 -6.447 -20.728 -28.700 1.00 0.00 N ATOM 820 CA ARG A 78 -6.534 -21.551 -27.485 1.00 0.00 C ATOM 821 C ARG A 78 -7.979 -21.648 -26.949 1.00 0.00 C ATOM 822 O ARG A 78 -8.229 -22.235 -25.897 1.00 0.00 O ATOM 823 CB ARG A 78 -5.498 -21.047 -26.422 1.00 0.00 C ATOM 824 CG ARG A 78 -5.232 -19.515 -26.355 1.00 0.00 C ATOM 825 CD ARG A 78 -6.455 -18.709 -25.922 1.00 0.00 C ATOM 826 NE ARG A 78 -6.182 -17.273 -25.761 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.668 -16.507 -24.765 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.325 -17.049 -23.745 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.460 -15.204 -24.774 1.00 0.00 N ATOM 0 H ARG A 78 -6.958 -19.848 -28.634 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.264 -22.577 -27.734 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.837 -21.374 -25.439 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.548 -21.546 -26.614 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.415 -19.325 -25.659 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.904 -19.167 -27.334 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.247 -18.840 -26.660 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.828 -19.108 -24.979 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.582 -16.825 -26.453 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.467 -18.058 -23.709 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.687 -16.456 -22.998 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.931 -14.777 -25.535 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.828 -14.624 -24.020 1.00 0.00 H new ATOM 843 N LEU A 79 -8.936 -21.125 -27.722 1.00 0.00 N ATOM 844 CA LEU A 79 -10.365 -21.076 -27.337 1.00 0.00 C ATOM 845 C LEU A 79 -11.230 -21.766 -28.407 1.00 0.00 C ATOM 846 O LEU A 79 -11.101 -21.458 -29.598 1.00 0.00 O ATOM 847 CB LEU A 79 -10.803 -19.601 -27.170 1.00 0.00 C ATOM 848 CG LEU A 79 -9.974 -18.766 -26.160 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.273 -17.259 -26.259 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.167 -19.276 -24.738 1.00 0.00 C ATOM 0 H LEU A 79 -8.748 -20.719 -28.639 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.499 -21.602 -26.392 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.754 -19.114 -28.144 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.847 -19.584 -26.858 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.925 -18.895 -26.427 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.667 -16.719 -25.531 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.035 -16.906 -27.262 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.329 -17.083 -26.054 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.574 -18.672 -24.051 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.220 -19.206 -24.466 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.845 -20.316 -24.677 1.00 0.00 H new ATOM 862 N CYS A 80 -12.081 -22.732 -27.976 1.00 0.00 N ATOM 863 CA CYS A 80 -13.055 -23.410 -28.876 1.00 0.00 C ATOM 864 C CYS A 80 -14.081 -22.382 -29.335 1.00 0.00 C ATOM 865 O CYS A 80 -14.279 -21.418 -28.615 1.00 0.00 O ATOM 866 CB CYS A 80 -13.760 -24.588 -28.159 1.00 0.00 C ATOM 867 SG CYS A 80 -15.003 -24.090 -26.920 1.00 0.00 S ATOM 0 H CYS A 80 -12.114 -23.060 -27.011 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.524 -23.824 -29.733 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.244 -25.215 -28.908 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.004 -25.202 -27.669 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.813 -25.082 -26.695 1.00 0.00 H new ATOM 872 N ILE A 81 -14.774 -22.623 -30.469 1.00 0.00 N ATOM 873 CA ILE A 81 -15.626 -21.605 -31.153 1.00 0.00 C ATOM 874 C ILE A 81 -16.648 -20.925 -30.198 1.00 0.00 C ATOM 875 O ILE A 81 -17.012 -19.774 -30.398 1.00 0.00 O ATOM 876 CB ILE A 81 -16.381 -22.241 -32.384 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.140 -21.158 -33.222 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.335 -23.376 -31.937 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.918 -21.699 -34.413 1.00 0.00 C ATOM 0 H ILE A 81 -14.764 -23.526 -30.942 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.947 -20.827 -31.504 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.624 -22.681 -33.033 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.831 -20.629 -32.565 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.418 -20.425 -33.581 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.839 -23.792 -32.809 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.762 -24.159 -31.441 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.077 -22.977 -31.246 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.409 -20.875 -34.931 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.234 -22.201 -35.097 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.669 -22.408 -34.065 1.00 0.00 H new ATOM 891 N HIS A 82 -17.027 -21.636 -29.129 1.00 0.00 N ATOM 892 CA HIS A 82 -17.981 -21.154 -28.108 1.00 0.00 C ATOM 893 C HIS A 82 -17.301 -20.125 -27.161 1.00 0.00 C ATOM 894 O HIS A 82 -17.820 -19.021 -26.957 1.00 0.00 O ATOM 895 CB HIS A 82 -18.553 -22.360 -27.312 1.00 0.00 C ATOM 896 CG HIS A 82 -19.009 -23.500 -28.183 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.275 -23.600 -28.706 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.328 -24.568 -28.659 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.349 -24.671 -29.467 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.181 -25.279 -29.453 1.00 0.00 N ATOM 0 H HIS A 82 -16.678 -22.576 -28.941 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.807 -20.645 -28.605 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.790 -22.724 -26.623 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.393 -22.019 -26.707 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.297 -24.813 -28.449 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.222 -24.997 -30.012 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -18.952 -26.138 -29.952 1.00 0.00 H new ATOM 909 N CYS A 83 -16.118 -20.492 -26.611 1.00 0.00 N ATOM 910 CA CYS A 83 -15.314 -19.592 -25.744 1.00 0.00 C ATOM 911 C CYS A 83 -14.552 -18.551 -26.591 1.00 0.00 C ATOM 912 O CYS A 83 -14.026 -17.576 -26.051 1.00 0.00 O ATOM 913 CB CYS A 83 -14.302 -20.386 -24.882 1.00 0.00 C ATOM 914 SG CYS A 83 -15.005 -21.768 -23.923 1.00 0.00 S ATOM 0 H CYS A 83 -15.697 -21.410 -26.753 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.012 -19.081 -25.081 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.524 -20.779 -25.536 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.819 -19.695 -24.191 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.151 -22.803 -24.696 1.00 0.00 H new ATOM 919 N GLN A 84 -14.425 -18.801 -27.903 1.00 0.00 N ATOM 920 CA GLN A 84 -13.695 -17.914 -28.810 1.00 0.00 C ATOM 921 C GLN A 84 -14.610 -16.788 -29.294 1.00 0.00 C ATOM 922 O GLN A 84 -14.203 -15.645 -29.259 1.00 0.00 O ATOM 923 CB GLN A 84 -13.079 -18.687 -30.026 1.00 0.00 C ATOM 924 CG GLN A 84 -11.687 -18.186 -30.509 1.00 0.00 C ATOM 925 CD GLN A 84 -11.566 -16.667 -30.627 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.894 -16.085 -31.653 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.068 -16.016 -29.580 1.00 0.00 N ATOM 0 H GLN A 84 -14.825 -19.621 -28.360 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.863 -17.485 -28.251 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.993 -19.740 -29.758 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.776 -18.627 -30.862 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.925 -18.546 -29.817 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.472 -18.632 -31.480 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.804 -16.529 -28.739 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.950 -15.004 -29.618 1.00 0.00 H new