USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 418 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 40 CYS SG : rot -152:sc= 0.731 USER MOD Set 1.2: A 43 CYS SG : rot -94:sc= -1.69 USER MOD Set 1.3: A 70 CYS SG : rot -81:sc= 1.31 USER MOD Set 1.4: A 73 CYS SG : rot -20:sc= -0.537 USER MOD Set 2.1: A 24 CYS SG : rot -139:sc= -2.14 USER MOD Set 2.2: A 27 CYS SG : rot -97:sc= -0.995 USER MOD Set 2.3: A 29 CYS SG : rot -101:sc= -1.41! USER MOD Set 2.4: A 48 CYS SG : rot -138:sc= 0.583 USER MOD Set 2.5: A 51 CYS SG : rot -130:sc= 1.17 USER MOD Single : A 25 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.22) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -21.1! C(o=-21!,f=-25!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -75:sc= 0.884 USER MOD Single : A 54 HIS :FLIP no HE2:sc= 0.116 F(o=-0.46,f=0.12) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 295 N ALA A 21 2.652 -12.003 -13.269 1.00 0.00 N ATOM 296 CA ALA A 21 3.780 -12.370 -12.416 1.00 0.00 C ATOM 297 C ALA A 21 3.712 -13.840 -11.998 1.00 0.00 C ATOM 298 O ALA A 21 3.333 -14.158 -10.871 1.00 0.00 O ATOM 299 CB ALA A 21 3.822 -11.474 -11.188 1.00 0.00 C ATOM 0 HA ALA A 21 4.695 -12.230 -12.992 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.667 -11.757 -10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.933 -10.435 -11.499 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.896 -11.587 -10.624 1.00 0.00 H new ATOM 305 N PRO A 22 4.087 -14.756 -12.910 1.00 0.00 N ATOM 306 CA PRO A 22 4.076 -16.202 -12.648 1.00 0.00 C ATOM 307 C PRO A 22 5.111 -16.623 -11.609 1.00 0.00 C ATOM 308 O PRO A 22 5.086 -17.747 -11.108 1.00 0.00 O ATOM 309 CB PRO A 22 4.428 -16.826 -14.004 1.00 0.00 C ATOM 310 CG PRO A 22 4.268 -15.732 -15.005 1.00 0.00 C ATOM 311 CD PRO A 22 4.551 -14.457 -14.271 1.00 0.00 C ATOM 0 HA PRO A 22 3.113 -16.519 -12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.448 -17.211 -14.005 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.770 -17.665 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.957 -15.863 -15.840 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.260 -15.728 -15.421 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.611 -14.206 -14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.015 -13.613 -14.705 1.00 0.00 H new ATOM 319 N ALA A 23 6.007 -15.705 -11.287 1.00 0.00 N ATOM 320 CA ALA A 23 7.050 -15.964 -10.301 1.00 0.00 C ATOM 321 C ALA A 23 7.191 -14.784 -9.351 1.00 0.00 C ATOM 322 O ALA A 23 6.782 -13.668 -9.672 1.00 0.00 O ATOM 323 CB ALA A 23 8.377 -16.253 -10.986 1.00 0.00 C ATOM 0 H ALA A 23 6.035 -14.770 -11.694 1.00 0.00 H new ATOM 0 HA ALA A 23 6.762 -16.842 -9.723 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.141 -16.443 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.273 -17.129 -11.627 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.669 -15.394 -11.590 1.00 0.00 H new ATOM 329 N CYS A 24 7.752 -15.031 -8.173 1.00 0.00 N ATOM 330 CA CYS A 24 7.923 -13.987 -7.172 1.00 0.00 C ATOM 331 C CYS A 24 8.798 -12.850 -7.682 1.00 0.00 C ATOM 332 O CYS A 24 9.936 -13.061 -8.102 1.00 0.00 O ATOM 333 CB CYS A 24 8.540 -14.578 -5.909 1.00 0.00 C ATOM 334 SG CYS A 24 7.932 -13.832 -4.383 1.00 0.00 S ATOM 0 H CYS A 24 8.097 -15.948 -7.888 1.00 0.00 H new ATOM 0 HA CYS A 24 6.937 -13.578 -6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.338 -15.649 -5.884 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.622 -14.459 -5.955 1.00 0.00 H new ATOM 0 HG CYS A 24 8.920 -13.678 -3.552 1.00 0.00 H new ATOM 340 N ASN A 25 8.258 -11.640 -7.621 1.00 0.00 N ATOM 341 CA ASN A 25 8.978 -10.450 -8.051 1.00 0.00 C ATOM 342 C ASN A 25 10.237 -10.245 -7.211 1.00 0.00 C ATOM 343 O ASN A 25 11.190 -9.603 -7.652 1.00 0.00 O ATOM 344 CB ASN A 25 8.071 -9.220 -7.946 1.00 0.00 C ATOM 345 CG ASN A 25 7.040 -9.164 -9.057 1.00 0.00 C ATOM 346 OD1 ASN A 25 5.935 -9.687 -8.921 1.00 0.00 O ATOM 347 ND2 ASN A 25 7.398 -8.523 -10.164 1.00 0.00 N ATOM 0 H ASN A 25 7.316 -11.457 -7.275 1.00 0.00 H new ATOM 0 HA ASN A 25 9.276 -10.586 -9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.562 -9.229 -6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.682 -8.318 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.746 -8.450 -10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.325 -8.104 -10.233 1.00 0.00 H new ATOM 354 N GLY A 26 10.217 -10.762 -5.986 1.00 0.00 N ATOM 355 CA GLY A 26 11.345 -10.592 -5.087 1.00 0.00 C ATOM 356 C GLY A 26 12.431 -11.648 -5.218 1.00 0.00 C ATOM 357 O GLY A 26 13.598 -11.311 -5.416 1.00 0.00 O ATOM 0 H GLY A 26 9.439 -11.296 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.788 -9.612 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.977 -10.595 -4.061 1.00 0.00 H new ATOM 361 N CYS A 27 12.071 -12.921 -5.069 1.00 0.00 N ATOM 362 CA CYS A 27 13.060 -13.997 -5.136 1.00 0.00 C ATOM 363 C CYS A 27 12.996 -14.789 -6.440 1.00 0.00 C ATOM 364 O CYS A 27 13.812 -15.685 -6.661 1.00 0.00 O ATOM 365 CB CYS A 27 12.896 -14.940 -3.944 1.00 0.00 C ATOM 366 SG CYS A 27 11.413 -15.969 -4.014 1.00 0.00 S ATOM 0 H CYS A 27 11.114 -13.232 -4.903 1.00 0.00 H new ATOM 0 HA CYS A 27 14.040 -13.522 -5.102 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.771 -15.587 -3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.872 -14.349 -3.028 1.00 0.00 H new ATOM 0 HG CYS A 27 10.471 -15.422 -3.304 1.00 0.00 H new ATOM 372 N GLY A 28 12.053 -14.454 -7.311 1.00 0.00 N ATOM 373 CA GLY A 28 11.952 -15.150 -8.582 1.00 0.00 C ATOM 374 C GLY A 28 11.438 -16.575 -8.460 1.00 0.00 C ATOM 375 O GLY A 28 11.467 -17.328 -9.434 1.00 0.00 O ATOM 0 H GLY A 28 11.361 -13.719 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.289 -14.589 -9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.933 -15.167 -9.056 1.00 0.00 H new ATOM 379 N CYS A 29 10.962 -16.955 -7.278 1.00 0.00 N ATOM 380 CA CYS A 29 10.447 -18.308 -7.084 1.00 0.00 C ATOM 381 C CYS A 29 9.120 -18.475 -7.817 1.00 0.00 C ATOM 382 O CYS A 29 8.323 -17.541 -7.901 1.00 0.00 O ATOM 383 CB CYS A 29 10.285 -18.633 -5.598 1.00 0.00 C ATOM 384 SG CYS A 29 8.841 -17.874 -4.820 1.00 0.00 S ATOM 0 H CYS A 29 10.922 -16.357 -6.452 1.00 0.00 H new ATOM 0 HA CYS A 29 11.171 -19.009 -7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.219 -19.715 -5.480 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.181 -18.309 -5.068 1.00 0.00 H new ATOM 0 HG CYS A 29 9.211 -16.822 -4.152 1.00 0.00 H new ATOM 390 N VAL A 30 8.903 -19.664 -8.368 1.00 0.00 N ATOM 391 CA VAL A 30 7.685 -19.945 -9.122 1.00 0.00 C ATOM 392 C VAL A 30 6.510 -20.263 -8.208 1.00 0.00 C ATOM 393 O VAL A 30 6.643 -21.014 -7.242 1.00 0.00 O ATOM 394 CB VAL A 30 7.872 -21.128 -10.088 1.00 0.00 C ATOM 395 CG1 VAL A 30 7.024 -20.937 -11.336 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.338 -21.315 -10.447 1.00 0.00 C ATOM 0 H VAL A 30 9.553 -20.448 -8.307 1.00 0.00 H new ATOM 0 HA VAL A 30 7.472 -19.038 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 30 7.537 -22.035 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.169 -21.783 -12.008 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.973 -20.873 -11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.322 -20.018 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.441 -22.158 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.713 -20.411 -10.926 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.912 -21.511 -9.541 1.00 0.00 H new ATOM 406 N PHE A 31 5.356 -19.701 -8.536 1.00 0.00 N ATOM 407 CA PHE A 31 4.146 -19.936 -7.762 1.00 0.00 C ATOM 408 C PHE A 31 3.490 -21.240 -8.199 1.00 0.00 C ATOM 409 O PHE A 31 3.358 -21.523 -9.389 1.00 0.00 O ATOM 410 CB PHE A 31 3.162 -18.778 -7.927 1.00 0.00 C ATOM 411 CG PHE A 31 3.652 -17.482 -7.347 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.564 -17.243 -5.985 1.00 0.00 C ATOM 413 CD2 PHE A 31 4.194 -16.502 -8.162 1.00 0.00 C ATOM 414 CE1 PHE A 31 4.010 -16.051 -5.447 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.642 -15.308 -7.630 1.00 0.00 C ATOM 416 CZ PHE A 31 4.549 -15.082 -6.271 1.00 0.00 C ATOM 0 H PHE A 31 5.232 -19.078 -9.334 1.00 0.00 H new ATOM 0 HA PHE A 31 4.422 -20.008 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.956 -18.636 -8.988 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.218 -19.045 -7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.142 -17.997 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.267 -16.673 -9.226 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.937 -15.877 -4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.064 -14.553 -8.276 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.897 -14.149 -5.853 1.00 0.00 H new ATOM 426 N THR A 32 3.085 -22.024 -7.211 1.00 0.00 N ATOM 427 CA THR A 32 2.440 -23.306 -7.459 1.00 0.00 C ATOM 428 C THR A 32 1.099 -23.383 -6.740 1.00 0.00 C ATOM 429 O THR A 32 0.787 -22.546 -5.892 1.00 0.00 O ATOM 430 CB THR A 32 3.346 -24.452 -7.006 1.00 0.00 C ATOM 431 OG1 THR A 32 3.432 -24.495 -5.594 1.00 0.00 O ATOM 432 CG2 THR A 32 4.754 -24.352 -7.552 1.00 0.00 C ATOM 0 H THR A 32 3.192 -21.793 -6.223 1.00 0.00 H new ATOM 0 HA THR A 32 2.263 -23.398 -8.531 1.00 0.00 H new ATOM 0 HB THR A 32 2.886 -25.358 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.014 -25.236 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.344 -25.195 -7.193 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.724 -24.368 -8.641 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.209 -23.421 -7.216 1.00 0.00 H new ATOM 440 N THR A 33 0.310 -24.393 -7.083 1.00 0.00 N ATOM 441 CA THR A 33 -0.999 -24.584 -6.474 1.00 0.00 C ATOM 442 C THR A 33 -0.925 -24.457 -4.955 1.00 0.00 C ATOM 443 O THR A 33 -1.781 -23.820 -4.340 1.00 0.00 O ATOM 444 CB THR A 33 -1.561 -25.956 -6.851 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.543 -26.136 -8.256 1.00 0.00 O ATOM 446 CG2 THR A 33 -2.984 -26.168 -6.380 1.00 0.00 C ATOM 0 H THR A 33 0.555 -25.094 -7.782 1.00 0.00 H new ATOM 0 HA THR A 33 -1.661 -23.805 -6.852 1.00 0.00 H new ATOM 0 HB THR A 33 -0.917 -26.680 -6.352 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.904 -27.020 -8.477 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.322 -27.160 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.024 -26.083 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.631 -25.414 -6.827 1.00 0.00 H new ATOM 454 N THR A 34 0.091 -25.062 -4.349 1.00 0.00 N ATOM 455 CA THR A 34 0.242 -24.996 -2.900 1.00 0.00 C ATOM 456 C THR A 34 0.552 -23.572 -2.446 1.00 0.00 C ATOM 457 O THR A 34 0.083 -23.140 -1.393 1.00 0.00 O ATOM 458 CB THR A 34 1.330 -25.959 -2.421 1.00 0.00 C ATOM 459 OG1 THR A 34 1.074 -27.273 -2.882 1.00 0.00 O ATOM 460 CG2 THR A 34 1.453 -26.016 -0.914 1.00 0.00 C ATOM 0 H THR A 34 0.813 -25.597 -4.831 1.00 0.00 H new ATOM 0 HA THR A 34 -0.705 -25.298 -2.453 1.00 0.00 H new ATOM 0 HB THR A 34 2.263 -25.572 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.781 -27.874 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.242 -26.717 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.698 -25.025 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.508 -26.347 -0.484 1.00 0.00 H new ATOM 468 N VAL A 35 1.339 -22.842 -3.229 1.00 0.00 N ATOM 469 CA VAL A 35 1.688 -21.475 -2.870 1.00 0.00 C ATOM 470 C VAL A 35 0.670 -20.482 -3.406 1.00 0.00 C ATOM 471 O VAL A 35 0.539 -20.287 -4.614 1.00 0.00 O ATOM 472 CB VAL A 35 3.077 -21.078 -3.405 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.411 -19.644 -3.017 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.145 -22.031 -2.897 1.00 0.00 C ATOM 0 H VAL A 35 1.743 -23.170 -4.106 1.00 0.00 H new ATOM 0 HA VAL A 35 1.697 -21.443 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 35 3.053 -21.144 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.396 -19.382 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.665 -18.970 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.412 -19.552 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.117 -21.730 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.168 -22.004 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.917 -23.044 -3.230 1.00 0.00 H new ATOM 484 N ARG A 36 -0.032 -19.847 -2.486 1.00 0.00 N ATOM 485 CA ARG A 36 -1.035 -18.851 -2.830 1.00 0.00 C ATOM 486 C ARG A 36 -0.371 -17.536 -3.221 1.00 0.00 C ATOM 487 O ARG A 36 0.714 -17.211 -2.741 1.00 0.00 O ATOM 488 CB ARG A 36 -1.991 -18.629 -1.659 1.00 0.00 C ATOM 489 CG ARG A 36 -2.800 -19.863 -1.295 1.00 0.00 C ATOM 490 CD ARG A 36 -3.768 -20.241 -2.406 1.00 0.00 C ATOM 491 NE ARG A 36 -4.626 -21.362 -2.028 1.00 0.00 N ATOM 492 CZ ARG A 36 -5.595 -21.274 -1.123 1.00 0.00 C ATOM 493 NH1 ARG A 36 -5.826 -20.123 -0.507 1.00 0.00 N ATOM 494 NH2 ARG A 36 -6.334 -22.338 -0.832 1.00 0.00 N ATOM 0 H ARG A 36 0.074 -20.004 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.605 -19.220 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.418 -18.310 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.674 -17.816 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.126 -20.697 -1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.354 -19.678 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.387 -19.379 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.206 -20.501 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.473 -22.261 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.260 -19.304 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.570 -20.057 0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.158 -23.225 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.077 -22.268 -0.137 1.00 0.00 H new ATOM 508 N ARG A 37 -1.034 -16.780 -4.085 1.00 0.00 N ATOM 509 CA ARG A 37 -0.510 -15.495 -4.524 1.00 0.00 C ATOM 510 C ARG A 37 -0.953 -14.385 -3.584 1.00 0.00 C ATOM 511 O ARG A 37 -2.080 -14.383 -3.090 1.00 0.00 O ATOM 512 CB ARG A 37 -0.949 -15.197 -5.958 1.00 0.00 C ATOM 513 CG ARG A 37 -0.122 -15.934 -6.998 1.00 0.00 C ATOM 514 CD ARG A 37 -0.703 -15.785 -8.393 1.00 0.00 C ATOM 515 NE ARG A 37 -0.163 -16.784 -9.309 1.00 0.00 N ATOM 516 CZ ARG A 37 1.061 -16.731 -9.820 1.00 0.00 C ATOM 517 NH1 ARG A 37 1.852 -15.703 -9.544 1.00 0.00 N ATOM 518 NH2 ARG A 37 1.494 -17.705 -10.610 1.00 0.00 N ATOM 0 H ARG A 37 -1.933 -17.034 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 37 0.579 -15.544 -4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.998 -15.471 -6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.877 -14.124 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.899 -15.552 -6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.070 -16.991 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.788 -15.880 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.486 -14.787 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.760 -17.568 -9.572 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.520 -14.952 -8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.792 -15.663 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.886 -18.495 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.435 -17.663 -11.002 1.00 0.00 H new ATOM 532 N HIS A 38 -0.049 -13.449 -3.336 1.00 0.00 N ATOM 533 CA HIS A 38 -0.332 -12.333 -2.449 1.00 0.00 C ATOM 534 C HIS A 38 0.259 -11.044 -3.001 1.00 0.00 C ATOM 535 O HIS A 38 1.074 -11.075 -3.918 1.00 0.00 O ATOM 536 CB HIS A 38 0.232 -12.613 -1.055 1.00 0.00 C ATOM 537 CG HIS A 38 -0.306 -13.866 -0.436 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.587 -13.968 0.063 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.268 -15.077 -0.240 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.778 -15.186 0.537 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.667 -15.878 0.366 1.00 0.00 N ATOM 0 H HIS A 38 0.888 -13.441 -3.738 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.413 -12.215 -2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.318 -12.685 -1.118 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.006 -11.769 -0.404 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.275 -15.360 -0.510 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.688 -15.553 0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.526 -16.850 0.640 1.00 0.00 H new ATOM 550 N HIS A 39 -0.159 -9.916 -2.448 1.00 0.00 N ATOM 551 CA HIS A 39 0.332 -8.624 -2.910 1.00 0.00 C ATOM 552 C HIS A 39 0.956 -7.825 -1.774 1.00 0.00 C ATOM 553 O HIS A 39 0.471 -7.852 -0.643 1.00 0.00 O ATOM 554 CB HIS A 39 -0.810 -7.817 -3.532 1.00 0.00 C ATOM 555 CG HIS A 39 -1.397 -8.448 -4.758 1.00 0.00 C ATOM 556 ND1 HIS A 39 -2.540 -9.221 -4.732 1.00 0.00 N ATOM 557 CD2 HIS A 39 -0.997 -8.413 -6.052 1.00 0.00 C ATOM 558 CE1 HIS A 39 -2.816 -9.634 -5.956 1.00 0.00 C ATOM 559 NE2 HIS A 39 -1.897 -9.158 -6.774 1.00 0.00 N ATOM 0 H HIS A 39 -0.833 -9.867 -1.684 1.00 0.00 H new ATOM 0 HA HIS A 39 1.100 -8.813 -3.660 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.597 -7.686 -2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.444 -6.822 -3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.133 -7.896 -6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.652 -10.256 -6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.861 -9.318 -7.781 1.00 0.00 H new ATOM 568 N CYS A 40 2.008 -7.078 -2.095 1.00 0.00 N ATOM 569 CA CYS A 40 2.681 -6.223 -1.129 1.00 0.00 C ATOM 570 C CYS A 40 2.031 -4.842 -1.181 1.00 0.00 C ATOM 571 O CYS A 40 1.707 -4.337 -2.255 1.00 0.00 O ATOM 572 CB CYS A 40 4.175 -6.139 -1.462 1.00 0.00 C ATOM 573 SG CYS A 40 5.085 -4.909 -0.503 1.00 0.00 S ATOM 0 H CYS A 40 2.415 -7.050 -3.030 1.00 0.00 H new ATOM 0 HA CYS A 40 2.586 -6.631 -0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.627 -7.117 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.286 -5.911 -2.522 1.00 0.00 H new ATOM 0 HG CYS A 40 6.109 -4.495 -1.188 1.00 0.00 H new ATOM 579 N ARG A 41 1.802 -4.254 -0.009 1.00 0.00 N ATOM 580 CA ARG A 41 1.142 -2.953 0.086 1.00 0.00 C ATOM 581 C ARG A 41 2.034 -1.808 -0.383 1.00 0.00 C ATOM 582 O ARG A 41 1.588 -0.664 -0.473 1.00 0.00 O ATOM 583 CB ARG A 41 0.696 -2.703 1.527 1.00 0.00 C ATOM 584 CG ARG A 41 -0.310 -3.722 2.036 1.00 0.00 C ATOM 585 CD ARG A 41 -1.636 -3.606 1.303 1.00 0.00 C ATOM 586 NE ARG A 41 -2.650 -4.495 1.862 1.00 0.00 N ATOM 587 CZ ARG A 41 -3.954 -4.334 1.667 1.00 0.00 C ATOM 588 NH1 ARG A 41 -4.397 -3.322 0.935 1.00 0.00 N ATOM 589 NH2 ARG A 41 -4.818 -5.183 2.207 1.00 0.00 N ATOM 0 H ARG A 41 2.064 -4.658 0.890 1.00 0.00 H new ATOM 0 HA ARG A 41 0.277 -2.981 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.571 -2.713 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.259 -1.707 1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.092 -4.727 1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.469 -3.576 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.989 -2.576 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.489 -3.841 0.249 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.341 -5.282 2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.736 -2.665 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.399 -3.200 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.482 -5.962 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.819 -5.057 2.056 1.00 0.00 H new ATOM 603 N ASN A 42 3.288 -2.113 -0.680 1.00 0.00 N ATOM 604 CA ASN A 42 4.232 -1.102 -1.136 1.00 0.00 C ATOM 605 C ASN A 42 4.423 -1.151 -2.649 1.00 0.00 C ATOM 606 O ASN A 42 3.975 -0.258 -3.368 1.00 0.00 O ATOM 607 CB ASN A 42 5.578 -1.285 -0.433 1.00 0.00 C ATOM 608 CG ASN A 42 5.518 -0.916 1.033 1.00 0.00 C ATOM 609 OD1 ASN A 42 5.073 0.172 1.388 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.970 -1.820 1.892 1.00 0.00 N ATOM 0 H ASN A 42 3.677 -3.054 -0.614 1.00 0.00 H new ATOM 0 HA ASN A 42 3.820 -0.125 -0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.898 -2.322 -0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.330 -0.671 -0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.957 -1.624 2.893 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.331 -2.711 1.552 1.00 0.00 H new ATOM 617 N CYS A 43 5.105 -2.184 -3.127 1.00 0.00 N ATOM 618 CA CYS A 43 5.366 -2.322 -4.554 1.00 0.00 C ATOM 619 C CYS A 43 4.128 -2.785 -5.316 1.00 0.00 C ATOM 620 O CYS A 43 3.979 -2.508 -6.505 1.00 0.00 O ATOM 621 CB CYS A 43 6.524 -3.294 -4.794 1.00 0.00 C ATOM 622 SG CYS A 43 6.199 -4.987 -4.247 1.00 0.00 S ATOM 0 H CYS A 43 5.486 -2.935 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 43 5.639 -1.337 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.758 -3.307 -5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.409 -2.921 -4.278 1.00 0.00 H new ATOM 0 HG CYS A 43 6.645 -5.145 -3.036 1.00 0.00 H new ATOM 628 N GLY A 44 3.234 -3.476 -4.618 1.00 0.00 N ATOM 629 CA GLY A 44 2.014 -3.951 -5.245 1.00 0.00 C ATOM 630 C GLY A 44 2.248 -5.129 -6.168 1.00 0.00 C ATOM 631 O GLY A 44 1.458 -5.385 -7.075 1.00 0.00 O ATOM 0 H GLY A 44 3.331 -3.716 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.301 -4.237 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.561 -3.137 -5.810 1.00 0.00 H new ATOM 635 N TYR A 45 3.335 -5.851 -5.930 1.00 0.00 N ATOM 636 CA TYR A 45 3.677 -7.015 -6.737 1.00 0.00 C ATOM 637 C TYR A 45 3.281 -8.298 -6.022 1.00 0.00 C ATOM 638 O TYR A 45 3.033 -8.297 -4.817 1.00 0.00 O ATOM 639 CB TYR A 45 5.173 -7.039 -7.052 1.00 0.00 C ATOM 640 CG TYR A 45 5.662 -5.809 -7.781 1.00 0.00 C ATOM 641 CD1 TYR A 45 4.946 -5.278 -8.848 1.00 0.00 C ATOM 642 CD2 TYR A 45 6.841 -5.177 -7.405 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.390 -4.155 -9.518 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.290 -4.052 -8.071 1.00 0.00 C ATOM 645 CZ TYR A 45 6.562 -3.545 -9.125 1.00 0.00 C ATOM 646 OH TYR A 45 7.009 -2.426 -9.789 1.00 0.00 O ATOM 0 H TYR A 45 3.998 -5.650 -5.181 1.00 0.00 H new ATOM 0 HA TYR A 45 3.123 -6.946 -7.673 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.729 -7.143 -6.121 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.394 -7.919 -7.655 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.027 -5.752 -9.158 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.415 -5.571 -6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.822 -3.757 -10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.208 -3.572 -7.766 1.00 0.00 H new ATOM 0 HH TYR A 45 7.848 -2.120 -9.386 1.00 0.00 H new ATOM 656 N VAL A 46 3.218 -9.389 -6.775 1.00 0.00 N ATOM 657 CA VAL A 46 2.844 -10.672 -6.198 1.00 0.00 C ATOM 658 C VAL A 46 4.014 -11.295 -5.448 1.00 0.00 C ATOM 659 O VAL A 46 5.115 -11.423 -5.984 1.00 0.00 O ATOM 660 CB VAL A 46 2.335 -11.667 -7.260 1.00 0.00 C ATOM 661 CG1 VAL A 46 1.968 -12.998 -6.611 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.149 -11.083 -8.011 1.00 0.00 C ATOM 0 H VAL A 46 3.419 -9.411 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 46 2.029 -10.469 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 46 3.134 -11.849 -7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.611 -13.689 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.847 -13.419 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.184 -12.838 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.802 -11.798 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.342 -10.871 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.451 -10.160 -8.506 1.00 0.00 H new ATOM 672 N LEU A 47 3.762 -11.689 -4.205 1.00 0.00 N ATOM 673 CA LEU A 47 4.785 -12.312 -3.374 1.00 0.00 C ATOM 674 C LEU A 47 4.240 -13.580 -2.726 1.00 0.00 C ATOM 675 O LEU A 47 3.113 -13.598 -2.232 1.00 0.00 O ATOM 676 CB LEU A 47 5.249 -11.360 -2.260 1.00 0.00 C ATOM 677 CG LEU A 47 6.054 -10.128 -2.691 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.433 -10.525 -3.180 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.322 -9.336 -3.757 1.00 0.00 C ATOM 0 H LEU A 47 2.855 -11.588 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 47 5.629 -12.552 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.368 -11.017 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.854 -11.931 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 47 6.169 -9.489 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.983 -9.633 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.971 -11.032 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.337 -11.196 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.919 -8.469 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.159 -9.966 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.361 -9.002 -3.366 1.00 0.00 H new ATOM 691 N CYS A 48 5.054 -14.625 -2.695 1.00 0.00 N ATOM 692 CA CYS A 48 4.652 -15.873 -2.066 1.00 0.00 C ATOM 693 C CYS A 48 4.755 -15.714 -0.556 1.00 0.00 C ATOM 694 O CYS A 48 5.224 -14.682 -0.077 1.00 0.00 O ATOM 695 CB CYS A 48 5.532 -17.032 -2.543 1.00 0.00 C ATOM 696 SG CYS A 48 7.162 -17.092 -1.763 1.00 0.00 S ATOM 0 H CYS A 48 5.992 -14.633 -3.096 1.00 0.00 H new ATOM 0 HA CYS A 48 3.624 -16.103 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.014 -17.971 -2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.660 -16.956 -3.623 1.00 0.00 H new ATOM 0 HG CYS A 48 8.061 -17.374 -2.658 1.00 0.00 H new ATOM 702 N GLY A 49 4.318 -16.711 0.203 1.00 0.00 N ATOM 703 CA GLY A 49 4.390 -16.598 1.645 1.00 0.00 C ATOM 704 C GLY A 49 5.776 -16.217 2.125 1.00 0.00 C ATOM 705 O GLY A 49 5.936 -15.256 2.872 1.00 0.00 O ATOM 0 H GLY A 49 3.921 -17.583 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.673 -15.851 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.100 -17.547 2.096 1.00 0.00 H new ATOM 709 N ASP A 50 6.774 -16.981 1.688 1.00 0.00 N ATOM 710 CA ASP A 50 8.164 -16.743 2.074 1.00 0.00 C ATOM 711 C ASP A 50 8.627 -15.325 1.756 1.00 0.00 C ATOM 712 O ASP A 50 9.406 -14.731 2.502 1.00 0.00 O ATOM 713 CB ASP A 50 9.088 -17.749 1.393 1.00 0.00 C ATOM 714 CG ASP A 50 8.969 -19.138 1.988 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.244 -19.293 2.993 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.604 -20.070 1.450 1.00 0.00 O ATOM 0 H ASP A 50 6.645 -17.776 1.062 1.00 0.00 H new ATOM 0 HA ASP A 50 8.213 -16.870 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.854 -17.791 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.119 -17.407 1.479 1.00 0.00 H new ATOM 721 N CYS A 51 8.146 -14.792 0.640 1.00 0.00 N ATOM 722 CA CYS A 51 8.516 -13.447 0.217 1.00 0.00 C ATOM 723 C CYS A 51 7.577 -12.403 0.806 1.00 0.00 C ATOM 724 O CYS A 51 7.771 -11.203 0.614 1.00 0.00 O ATOM 725 CB CYS A 51 8.525 -13.350 -1.308 1.00 0.00 C ATOM 726 SG CYS A 51 10.130 -13.734 -2.046 1.00 0.00 S ATOM 0 H CYS A 51 7.500 -15.270 0.012 1.00 0.00 H new ATOM 0 HA CYS A 51 9.520 -13.245 0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.776 -14.031 -1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.231 -12.342 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 51 10.458 -12.795 -2.883 1.00 0.00 H new ATOM 732 N SER A 52 6.572 -12.863 1.543 1.00 0.00 N ATOM 733 CA SER A 52 5.617 -11.972 2.182 1.00 0.00 C ATOM 734 C SER A 52 5.436 -12.375 3.640 1.00 0.00 C ATOM 735 O SER A 52 4.395 -12.115 4.244 1.00 0.00 O ATOM 736 CB SER A 52 4.272 -12.013 1.451 1.00 0.00 C ATOM 737 OG SER A 52 3.600 -13.237 1.683 1.00 0.00 O ATOM 0 H SER A 52 6.399 -13.854 1.712 1.00 0.00 H new ATOM 0 HA SER A 52 6.001 -10.953 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.648 -11.184 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.432 -11.880 0.381 1.00 0.00 H new ATOM 0 HG SER A 52 4.021 -13.947 1.155 1.00 0.00 H new ATOM 743 N ARG A 53 6.467 -13.000 4.204 1.00 0.00 N ATOM 744 CA ARG A 53 6.429 -13.424 5.599 1.00 0.00 C ATOM 745 C ARG A 53 6.741 -12.257 6.532 1.00 0.00 C ATOM 746 O ARG A 53 6.449 -12.321 7.726 1.00 0.00 O ATOM 747 CB ARG A 53 7.414 -14.573 5.860 1.00 0.00 C ATOM 748 CG ARG A 53 6.977 -15.911 5.292 1.00 0.00 C ATOM 749 CD ARG A 53 7.857 -17.042 5.804 1.00 0.00 C ATOM 750 NE ARG A 53 7.501 -18.327 5.211 1.00 0.00 N ATOM 751 CZ ARG A 53 7.953 -19.495 5.658 1.00 0.00 C ATOM 752 NH1 ARG A 53 8.779 -19.537 6.695 1.00 0.00 N ATOM 753 NH2 ARG A 53 7.578 -20.622 5.069 1.00 0.00 N ATOM 0 H ARG A 53 7.335 -13.223 3.718 1.00 0.00 H new ATOM 0 HA ARG A 53 5.419 -13.780 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.382 -14.310 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.556 -14.677 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.939 -16.103 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.020 -15.878 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.900 -16.818 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.769 -17.107 6.888 1.00 0.00 H new ATOM 0 HE ARG A 53 6.871 -18.329 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.069 -18.672 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.124 -20.434 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.942 -20.594 4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.925 -21.517 5.413 1.00 0.00 H new ATOM 767 N HIS A 54 7.340 -11.196 5.994 1.00 0.00 N ATOM 768 CA HIS A 54 7.686 -10.036 6.807 1.00 0.00 C ATOM 769 C HIS A 54 6.488 -9.126 7.011 1.00 0.00 C ATOM 770 O HIS A 54 5.488 -9.221 6.301 1.00 0.00 O ATOM 771 CB HIS A 54 8.814 -9.233 6.158 1.00 0.00 C ATOM 772 CG HIS A 54 10.135 -9.932 6.159 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.768 -10.631 5.187 1.00 0.00 N flip ATOM 774 CD2 HIS A 54 10.971 -9.959 7.254 1.00 0.00 C flip ATOM 775 CE1 HIS A 54 11.964 -11.060 5.708 1.00 0.00 C flip ATOM 776 NE2 HIS A 54 12.063 -10.641 6.956 1.00 0.00 N flip ATOM 0 H HIS A 54 7.593 -11.117 5.009 1.00 0.00 H new ATOM 0 HA HIS A 54 8.016 -10.412 7.775 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.537 -9.003 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 54 8.917 -8.282 6.681 1.00 0.00 H new ATOM 0 HD1 HIS A 54 10.421 -10.806 4.244 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.766 -9.495 8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.704 -11.645 5.182 1.00 0.00 H new ATOM 785 N ARG A 55 6.610 -8.229 7.978 1.00 0.00 N ATOM 786 CA ARG A 55 5.552 -7.279 8.273 1.00 0.00 C ATOM 787 C ARG A 55 6.150 -5.913 8.603 1.00 0.00 C ATOM 788 O ARG A 55 7.129 -5.815 9.344 1.00 0.00 O ATOM 789 CB ARG A 55 4.685 -7.789 9.424 1.00 0.00 C ATOM 790 CG ARG A 55 4.064 -9.150 9.151 1.00 0.00 C ATOM 791 CD ARG A 55 3.082 -9.544 10.240 1.00 0.00 C ATOM 792 NE ARG A 55 2.643 -10.930 10.101 1.00 0.00 N ATOM 793 CZ ARG A 55 1.507 -11.399 10.609 1.00 0.00 C ATOM 794 NH1 ARG A 55 0.700 -10.599 11.292 1.00 0.00 N ATOM 795 NH2 ARG A 55 1.179 -12.673 10.435 1.00 0.00 N ATOM 0 H ARG A 55 7.434 -8.140 8.572 1.00 0.00 H new ATOM 0 HA ARG A 55 4.917 -7.172 7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.291 -7.849 10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.891 -7.068 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.553 -9.131 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.850 -9.902 9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.548 -9.407 11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.216 -8.883 10.204 1.00 0.00 H new ATOM 0 HE ARG A 55 3.242 -11.575 9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.949 -9.620 11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.170 -10.963 11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.798 -13.292 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.308 -13.033 10.824 1.00 0.00 H new ATOM 809 N ALA A 56 5.564 -4.870 8.041 1.00 0.00 N ATOM 810 CA ALA A 56 6.052 -3.514 8.273 1.00 0.00 C ATOM 811 C ALA A 56 4.970 -2.476 8.023 1.00 0.00 C ATOM 812 O ALA A 56 4.058 -2.698 7.228 1.00 0.00 O ATOM 813 CB ALA A 56 7.258 -3.236 7.388 1.00 0.00 C ATOM 0 H ALA A 56 4.754 -4.931 7.424 1.00 0.00 H new ATOM 0 HA ALA A 56 6.345 -3.441 9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.615 -2.222 7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.051 -3.947 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.973 -3.340 6.341 1.00 0.00 H new ATOM 819 N ALA A 57 5.092 -1.326 8.680 1.00 0.00 N ATOM 820 CA ALA A 57 4.141 -0.241 8.503 1.00 0.00 C ATOM 821 C ALA A 57 4.632 0.683 7.399 1.00 0.00 C ATOM 822 O ALA A 57 5.837 0.832 7.199 1.00 0.00 O ATOM 823 CB ALA A 57 3.966 0.527 9.805 1.00 0.00 C ATOM 0 H ALA A 57 5.843 -1.124 9.340 1.00 0.00 H new ATOM 0 HA ALA A 57 3.172 -0.652 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.251 1.336 9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.596 -0.147 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.925 0.942 10.114 1.00 0.00 H new ATOM 829 N ILE A 58 3.706 1.292 6.670 1.00 0.00 N ATOM 830 CA ILE A 58 4.064 2.184 5.578 1.00 0.00 C ATOM 831 C ILE A 58 3.418 3.553 5.761 1.00 0.00 C ATOM 832 O ILE A 58 2.361 3.833 5.196 1.00 0.00 O ATOM 833 CB ILE A 58 3.627 1.583 4.234 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.757 0.058 4.276 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.457 2.166 3.105 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.201 -0.635 3.051 1.00 0.00 C ATOM 0 H ILE A 58 2.702 1.184 6.816 1.00 0.00 H new ATOM 0 HA ILE A 58 5.147 2.305 5.583 1.00 0.00 H new ATOM 0 HB ILE A 58 2.582 1.835 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.809 -0.205 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.241 -0.317 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.138 1.732 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.320 3.247 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.510 1.938 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.329 -1.713 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.141 -0.403 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.733 -0.289 2.165 1.00 0.00 H new ATOM 848 N PRO A 59 4.042 4.414 6.576 1.00 0.00 N ATOM 849 CA PRO A 59 3.526 5.757 6.867 1.00 0.00 C ATOM 850 C PRO A 59 3.521 6.696 5.663 1.00 0.00 C ATOM 851 O PRO A 59 2.904 7.761 5.713 1.00 0.00 O ATOM 852 CB PRO A 59 4.464 6.276 7.957 1.00 0.00 C ATOM 853 CG PRO A 59 5.721 5.498 7.779 1.00 0.00 C ATOM 854 CD PRO A 59 5.297 4.138 7.296 1.00 0.00 C ATOM 0 HA PRO A 59 2.478 5.714 7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.642 7.346 7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.041 6.122 8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.381 5.981 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.272 5.426 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.046 3.691 6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.143 3.446 8.124 1.00 0.00 H new ATOM 862 N MET A 60 4.167 6.301 4.573 1.00 0.00 N ATOM 863 CA MET A 60 4.174 7.127 3.371 1.00 0.00 C ATOM 864 C MET A 60 2.949 6.801 2.531 1.00 0.00 C ATOM 865 O MET A 60 2.339 7.676 1.917 1.00 0.00 O ATOM 866 CB MET A 60 5.443 6.874 2.555 1.00 0.00 C ATOM 867 CG MET A 60 6.716 7.343 3.239 1.00 0.00 C ATOM 868 SD MET A 60 8.171 7.152 2.192 1.00 0.00 S ATOM 869 CE MET A 60 9.475 7.583 3.339 1.00 0.00 C ATOM 0 H MET A 60 4.686 5.426 4.495 1.00 0.00 H new ATOM 0 HA MET A 60 4.153 8.177 3.661 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.524 5.807 2.349 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.352 7.378 1.593 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.609 8.391 3.520 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.859 6.779 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.440 7.512 2.837 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.325 8.603 3.694 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.456 6.897 4.186 1.00 0.00 H new ATOM 879 N ARG A 61 2.605 5.519 2.520 1.00 0.00 N ATOM 880 CA ARG A 61 1.457 5.030 1.767 1.00 0.00 C ATOM 881 C ARG A 61 0.173 5.192 2.577 1.00 0.00 C ATOM 882 O ARG A 61 -0.908 4.798 2.140 1.00 0.00 O ATOM 883 CB ARG A 61 1.667 3.560 1.405 1.00 0.00 C ATOM 884 CG ARG A 61 3.004 3.294 0.730 1.00 0.00 C ATOM 885 CD ARG A 61 3.098 3.977 -0.624 1.00 0.00 C ATOM 886 NE ARG A 61 2.398 3.227 -1.665 1.00 0.00 N ATOM 887 CZ ARG A 61 2.969 2.280 -2.403 1.00 0.00 C ATOM 888 NH1 ARG A 61 4.247 1.970 -2.220 1.00 0.00 N ATOM 889 NH2 ARG A 61 2.264 1.640 -3.325 1.00 0.00 N ATOM 0 H ARG A 61 3.110 4.794 3.029 1.00 0.00 H new ATOM 0 HA ARG A 61 1.362 5.617 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.598 2.956 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.863 3.237 0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.812 3.646 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.141 2.220 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.677 4.980 -0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.146 4.090 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 61 1.416 3.442 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.794 2.459 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.682 1.243 -2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.282 1.874 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.704 0.914 -3.890 1.00 0.00 H new ATOM 903 N GLY A 62 0.312 5.782 3.760 1.00 0.00 N ATOM 904 CA GLY A 62 -0.832 6.000 4.623 1.00 0.00 C ATOM 905 C GLY A 62 -1.040 4.871 5.610 1.00 0.00 C ATOM 906 O GLY A 62 -2.049 4.832 6.314 1.00 0.00 O ATOM 0 H GLY A 62 1.200 6.114 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.698 6.934 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.727 6.113 4.012 1.00 0.00 H new ATOM 910 N ILE A 63 -0.084 3.951 5.668 1.00 0.00 N ATOM 911 CA ILE A 63 -0.165 2.818 6.577 1.00 0.00 C ATOM 912 C ILE A 63 0.645 3.096 7.842 1.00 0.00 C ATOM 913 O ILE A 63 1.871 2.993 7.841 1.00 0.00 O ATOM 914 CB ILE A 63 0.360 1.540 5.886 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.471 1.246 4.635 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.340 0.355 6.837 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.125 0.175 3.748 1.00 0.00 C ATOM 0 H ILE A 63 0.758 3.970 5.093 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.209 2.667 6.852 1.00 0.00 H new ATOM 0 HB ILE A 63 1.396 1.707 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.472 0.939 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.580 2.164 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.715 -0.530 6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.972 0.569 7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.681 0.175 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.518 0.021 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.114 0.488 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.209 -0.756 4.308 1.00 0.00 H new ATOM 929 N THR A 64 -0.052 3.462 8.915 1.00 0.00 N ATOM 930 CA THR A 64 0.603 3.770 10.183 1.00 0.00 C ATOM 931 C THR A 64 0.801 2.518 11.031 1.00 0.00 C ATOM 932 O THR A 64 1.640 2.497 11.932 1.00 0.00 O ATOM 933 CB THR A 64 -0.200 4.814 10.957 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.526 4.366 11.179 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.274 6.151 10.251 1.00 0.00 C ATOM 0 H THR A 64 -1.068 3.552 8.932 1.00 0.00 H new ATOM 0 HA THR A 64 1.589 4.177 9.956 1.00 0.00 H new ATOM 0 HB THR A 64 0.330 4.948 11.900 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.023 5.048 11.677 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.858 6.848 10.852 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.733 6.546 10.113 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.750 6.023 9.279 1.00 0.00 H new ATOM 943 N GLU A 65 0.046 1.470 10.728 1.00 0.00 N ATOM 944 CA GLU A 65 0.164 0.214 11.452 1.00 0.00 C ATOM 945 C GLU A 65 0.962 -0.773 10.616 1.00 0.00 C ATOM 946 O GLU A 65 0.880 -0.756 9.389 1.00 0.00 O ATOM 947 CB GLU A 65 -1.218 -0.360 11.769 1.00 0.00 C ATOM 948 CG GLU A 65 -2.228 0.689 12.203 1.00 0.00 C ATOM 949 CD GLU A 65 -3.310 0.922 11.166 1.00 0.00 C ATOM 950 OE1 GLU A 65 -3.105 0.531 9.998 1.00 0.00 O ATOM 951 OE2 GLU A 65 -4.362 1.494 11.523 1.00 0.00 O ATOM 0 H GLU A 65 -0.654 1.466 9.986 1.00 0.00 H new ATOM 0 HA GLU A 65 0.680 0.395 12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.599 -0.876 10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.120 -1.106 12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.689 0.378 13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.710 1.628 12.399 1.00 0.00 H new ATOM 958 N PRO A 66 1.757 -1.640 11.251 1.00 0.00 N ATOM 959 CA PRO A 66 2.565 -2.608 10.518 1.00 0.00 C ATOM 960 C PRO A 66 1.704 -3.514 9.645 1.00 0.00 C ATOM 961 O PRO A 66 0.791 -4.180 10.133 1.00 0.00 O ATOM 962 CB PRO A 66 3.277 -3.407 11.616 1.00 0.00 C ATOM 963 CG PRO A 66 3.203 -2.547 12.835 1.00 0.00 C ATOM 964 CD PRO A 66 1.941 -1.739 12.706 1.00 0.00 C ATOM 0 HA PRO A 66 3.261 -2.127 9.831 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.791 -4.368 11.782 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.311 -3.616 11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.184 -3.155 13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.075 -1.897 12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.096 -2.232 13.187 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.042 -0.757 13.167 1.00 0.00 H new ATOM 972 N GLU A 67 2.000 -3.521 8.351 1.00 0.00 N ATOM 973 CA GLU A 67 1.260 -4.325 7.391 1.00 0.00 C ATOM 974 C GLU A 67 2.205 -5.241 6.616 1.00 0.00 C ATOM 975 O GLU A 67 3.424 -5.080 6.671 1.00 0.00 O ATOM 976 CB GLU A 67 0.493 -3.420 6.423 1.00 0.00 C ATOM 977 CG GLU A 67 -0.531 -2.528 7.104 1.00 0.00 C ATOM 978 CD GLU A 67 -1.582 -3.319 7.858 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.699 -4.538 7.612 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.287 -2.719 8.696 1.00 0.00 O ATOM 0 H GLU A 67 2.756 -2.972 7.941 1.00 0.00 H new ATOM 0 HA GLU A 67 0.547 -4.944 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.204 -2.795 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.013 -4.040 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.021 -1.857 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.019 -1.904 6.355 1.00 0.00 H new ATOM 987 N ARG A 68 1.636 -6.210 5.909 1.00 0.00 N ATOM 988 CA ARG A 68 2.424 -7.165 5.138 1.00 0.00 C ATOM 989 C ARG A 68 3.060 -6.520 3.907 1.00 0.00 C ATOM 990 O ARG A 68 2.427 -5.756 3.178 1.00 0.00 O ATOM 991 CB ARG A 68 1.550 -8.346 4.726 1.00 0.00 C ATOM 992 CG ARG A 68 0.361 -7.953 3.864 1.00 0.00 C ATOM 993 CD ARG A 68 -0.695 -9.046 3.838 1.00 0.00 C ATOM 994 NE ARG A 68 -1.422 -9.128 5.103 1.00 0.00 N ATOM 995 CZ ARG A 68 -2.313 -8.226 5.498 1.00 0.00 C ATOM 996 NH1 ARG A 68 -2.586 -7.179 4.730 1.00 0.00 N ATOM 997 NH2 ARG A 68 -2.930 -8.367 6.663 1.00 0.00 N ATOM 0 H ARG A 68 0.628 -6.356 5.853 1.00 0.00 H new ATOM 0 HA ARG A 68 3.235 -7.518 5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.161 -9.066 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.187 -8.849 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.078 -7.031 4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.699 -7.748 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.397 -8.854 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.221 -10.005 3.628 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.235 -9.921 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.111 -7.066 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.271 -6.487 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.721 -9.169 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.614 -7.673 6.965 1.00 0.00 H new ATOM 1011 N VAL A 69 4.323 -6.869 3.691 1.00 0.00 N ATOM 1012 CA VAL A 69 5.100 -6.381 2.556 1.00 0.00 C ATOM 1013 C VAL A 69 6.060 -7.458 2.081 1.00 0.00 C ATOM 1014 O VAL A 69 6.131 -8.539 2.666 1.00 0.00 O ATOM 1015 CB VAL A 69 5.919 -5.132 2.913 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.995 -3.975 3.260 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.888 -5.437 4.050 1.00 0.00 C ATOM 0 H VAL A 69 4.840 -7.502 4.301 1.00 0.00 H new ATOM 0 HA VAL A 69 4.388 -6.122 1.772 1.00 0.00 H new ATOM 0 HB VAL A 69 6.510 -4.837 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.590 -3.097 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.358 -3.749 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.374 -4.248 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.460 -4.541 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.328 -5.757 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.569 -6.232 3.745 1.00 0.00 H new ATOM 1027 N CYS A 70 6.823 -7.152 1.039 1.00 0.00 N ATOM 1028 CA CYS A 70 7.801 -8.087 0.515 1.00 0.00 C ATOM 1029 C CYS A 70 9.162 -7.797 1.134 1.00 0.00 C ATOM 1030 O CYS A 70 9.251 -7.092 2.140 1.00 0.00 O ATOM 1031 CB CYS A 70 7.869 -8.015 -1.011 1.00 0.00 C ATOM 1032 SG CYS A 70 9.023 -6.788 -1.658 1.00 0.00 S ATOM 0 H CYS A 70 6.781 -6.262 0.542 1.00 0.00 H new ATOM 0 HA CYS A 70 7.498 -9.100 0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.150 -8.996 -1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.873 -7.795 -1.395 1.00 0.00 H new ATOM 0 HG CYS A 70 8.464 -5.615 -1.641 1.00 0.00 H new ATOM 1038 N ASP A 71 10.215 -8.348 0.556 1.00 0.00 N ATOM 1039 CA ASP A 71 11.556 -8.137 1.097 1.00 0.00 C ATOM 1040 C ASP A 71 12.149 -6.787 0.685 1.00 0.00 C ATOM 1041 O ASP A 71 12.740 -6.092 1.512 1.00 0.00 O ATOM 1042 CB ASP A 71 12.490 -9.276 0.686 1.00 0.00 C ATOM 1043 CG ASP A 71 12.064 -10.613 1.262 1.00 0.00 C ATOM 1044 OD1 ASP A 71 11.229 -10.621 2.190 1.00 0.00 O ATOM 1045 OD2 ASP A 71 12.567 -11.652 0.783 1.00 0.00 O ATOM 0 H ASP A 71 10.175 -8.937 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 71 11.460 -8.128 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.517 -9.345 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.503 -9.048 1.017 1.00 0.00 H new ATOM 1050 N ALA A 72 12.005 -6.416 -0.582 1.00 0.00 N ATOM 1051 CA ALA A 72 12.550 -5.148 -1.063 1.00 0.00 C ATOM 1052 C ALA A 72 11.830 -3.952 -0.447 1.00 0.00 C ATOM 1053 O ALA A 72 12.465 -2.997 0.000 1.00 0.00 O ATOM 1054 CB ALA A 72 12.478 -5.085 -2.581 1.00 0.00 C ATOM 0 H ALA A 72 11.521 -6.968 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 72 13.594 -5.098 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.887 -4.135 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.056 -5.905 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.439 -5.169 -2.900 1.00 0.00 H new ATOM 1060 N CYS A 73 10.505 -4.013 -0.416 1.00 0.00 N ATOM 1061 CA CYS A 73 9.704 -2.938 0.155 1.00 0.00 C ATOM 1062 C CYS A 73 9.996 -2.802 1.642 1.00 0.00 C ATOM 1063 O CYS A 73 10.131 -1.693 2.158 1.00 0.00 O ATOM 1064 CB CYS A 73 8.218 -3.210 -0.063 1.00 0.00 C ATOM 1065 SG CYS A 73 7.790 -3.585 -1.777 1.00 0.00 S ATOM 0 H CYS A 73 9.962 -4.796 -0.780 1.00 0.00 H new ATOM 0 HA CYS A 73 9.966 -2.005 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.914 -4.045 0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.647 -2.340 0.262 1.00 0.00 H new ATOM 0 HG CYS A 73 8.727 -3.146 -2.564 1.00 0.00 H new ATOM 1071 N TYR A 74 10.116 -3.932 2.322 1.00 0.00 N ATOM 1072 CA TYR A 74 10.419 -3.921 3.744 1.00 0.00 C ATOM 1073 C TYR A 74 11.709 -3.146 3.980 1.00 0.00 C ATOM 1074 O TYR A 74 11.820 -2.376 4.932 1.00 0.00 O ATOM 1075 CB TYR A 74 10.549 -5.353 4.274 1.00 0.00 C ATOM 1076 CG TYR A 74 10.828 -5.435 5.759 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.794 -5.375 6.686 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.127 -5.577 6.233 1.00 0.00 C ATOM 1079 CE1 TYR A 74 10.047 -5.453 8.043 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.387 -5.658 7.589 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.344 -5.594 8.489 1.00 0.00 C ATOM 1082 OH TYR A 74 11.599 -5.675 9.839 1.00 0.00 O ATOM 0 H TYR A 74 10.009 -4.861 1.916 1.00 0.00 H new ATOM 0 HA TYR A 74 9.605 -3.434 4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.629 -5.895 4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.351 -5.858 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.777 -5.266 6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.946 -5.625 5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.232 -5.404 8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.402 -5.771 7.941 1.00 0.00 H new ATOM 0 HH TYR A 74 12.563 -5.773 9.984 1.00 0.00 H new ATOM 1092 N LEU A 75 12.678 -3.358 3.093 1.00 0.00 N ATOM 1093 CA LEU A 75 13.971 -2.687 3.182 1.00 0.00 C ATOM 1094 C LEU A 75 13.883 -1.207 2.820 1.00 0.00 C ATOM 1095 O LEU A 75 14.363 -0.349 3.561 1.00 0.00 O ATOM 1096 CB LEU A 75 14.983 -3.375 2.269 1.00 0.00 C ATOM 1097 CG LEU A 75 15.748 -4.537 2.906 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.401 -5.394 1.835 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.791 -4.015 3.883 1.00 0.00 C ATOM 0 H LEU A 75 12.590 -3.993 2.300 1.00 0.00 H new ATOM 0 HA LEU A 75 14.296 -2.756 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.460 -3.745 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.703 -2.632 1.925 1.00 0.00 H new ATOM 0 HG LEU A 75 15.040 -5.156 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.941 -6.216 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.634 -5.796 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.097 -4.786 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.326 -4.854 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.496 -3.374 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.299 -3.442 4.669 1.00 0.00 H new ATOM 1111 N ALA A 76 13.289 -0.909 1.666 1.00 0.00 N ATOM 1112 CA ALA A 76 13.176 0.473 1.211 1.00 0.00 C ATOM 1113 C ALA A 76 12.586 1.348 2.306 1.00 0.00 C ATOM 1114 O ALA A 76 13.135 2.403 2.626 1.00 0.00 O ATOM 1115 CB ALA A 76 12.339 0.556 -0.057 1.00 0.00 C ATOM 0 H ALA A 76 12.882 -1.600 1.035 1.00 0.00 H new ATOM 0 HA ALA A 76 14.176 0.841 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.268 1.595 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.809 -0.036 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.340 0.168 0.141 1.00 0.00 H new ATOM 1121 N LEU A 77 11.496 0.897 2.908 1.00 0.00 N ATOM 1122 CA LEU A 77 10.888 1.645 3.996 1.00 0.00 C ATOM 1123 C LEU A 77 11.844 1.637 5.178 1.00 0.00 C ATOM 1124 O LEU A 77 12.058 2.648 5.846 1.00 0.00 O ATOM 1125 CB LEU A 77 9.544 1.031 4.383 1.00 0.00 C ATOM 1126 CG LEU A 77 8.468 1.097 3.297 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.322 0.159 3.633 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.957 2.523 3.127 1.00 0.00 C ATOM 0 H LEU A 77 11.020 0.028 2.665 1.00 0.00 H new ATOM 0 HA LEU A 77 10.702 2.672 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.703 -0.013 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.172 1.538 5.273 1.00 0.00 H new ATOM 0 HG LEU A 77 8.913 0.781 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.564 0.216 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.696 -0.863 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.882 0.449 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.193 2.546 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.529 2.871 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.783 3.174 2.842 1.00 0.00 H new