USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.37 K(o=-0.37,f=-4.3!) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc=-0.000793 (180deg=-0.0879) USER MOD Single : A 54 THR OG1 : rot -113:sc= 1.38 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.051 F(o=-1.1,f=-0.051) USER MOD Single : A 73 ASN : amide:sc= -1.91 K(o=-1.9,f=-2.5) USER MOD Single : A 74 ASN : amide:sc= 0.0938 K(o=0.094,f=-5.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= -0.283 USER MOD Single : A 85 CYS SG : rot -105:sc= -1.93 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -3.2 K(o=-3.2,f=-4.5) USER MOD Single : A 96 GLN : amide:sc= -2.39 K(o=-2.4,f=-3.4!) USER MOD Single : A 97 LYS NZ :NH3+ -137:sc= -0.543 (180deg=-1.41) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.934 -9.186 5.747 1.00 0.00 N ATOM 368 CA LEU A 29 9.401 -8.066 6.557 1.00 0.00 C ATOM 369 C LEU A 29 9.897 -8.548 7.916 1.00 0.00 C ATOM 370 O LEU A 29 9.222 -8.378 8.931 1.00 0.00 O ATOM 371 CB LEU A 29 8.279 -7.042 6.742 1.00 0.00 C ATOM 372 CG LEU A 29 7.844 -6.321 5.465 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.486 -5.664 5.659 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.884 -5.289 5.057 1.00 0.00 C ATOM 0 HA LEU A 29 10.233 -7.592 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.413 -7.548 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.603 -6.297 7.469 1.00 0.00 H new ATOM 0 HG LEU A 29 7.757 -7.057 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.193 -5.156 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.745 -6.425 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.545 -4.939 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.559 -4.785 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.002 -4.556 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.838 -5.785 4.876 1.00 0.00 H new ATOM 386 N PHE A 30 11.082 -9.150 7.928 1.00 0.00 N ATOM 387 CA PHE A 30 11.670 -9.656 9.162 1.00 0.00 C ATOM 388 C PHE A 30 12.593 -8.618 9.792 1.00 0.00 C ATOM 389 O PHE A 30 12.721 -8.546 11.014 1.00 0.00 O ATOM 390 CB PHE A 30 12.446 -10.946 8.890 1.00 0.00 C ATOM 391 CG PHE A 30 13.489 -10.805 7.818 1.00 0.00 C ATOM 392 CD1 PHE A 30 14.669 -10.124 8.067 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.288 -11.354 6.562 1.00 0.00 C ATOM 394 CE1 PHE A 30 15.631 -9.991 7.083 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.246 -11.225 5.573 1.00 0.00 C ATOM 396 CZ PHE A 30 15.418 -10.543 5.835 1.00 0.00 C ATOM 0 H PHE A 30 11.654 -9.299 7.097 1.00 0.00 H new ATOM 0 HA PHE A 30 10.860 -9.867 9.860 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.927 -11.273 9.812 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.744 -11.729 8.602 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.840 -9.692 9.042 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.373 -11.889 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.547 -9.457 7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.078 -11.657 4.597 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.168 -10.441 5.064 1.00 0.00 H new ATOM 406 N ASP A 31 13.235 -7.816 8.949 1.00 0.00 N ATOM 407 CA ASP A 31 14.147 -6.781 9.422 1.00 0.00 C ATOM 408 C ASP A 31 13.389 -5.497 9.750 1.00 0.00 C ATOM 409 O ASP A 31 13.782 -4.744 10.641 1.00 0.00 O ATOM 410 CB ASP A 31 15.221 -6.498 8.371 1.00 0.00 C ATOM 411 CG ASP A 31 16.463 -5.865 8.968 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.320 -5.022 9.877 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.577 -6.215 8.526 1.00 0.00 O ATOM 0 H ASP A 31 13.141 -7.863 7.934 1.00 0.00 H new ATOM 0 HA ASP A 31 14.626 -7.142 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.494 -7.429 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.812 -5.838 7.606 1.00 0.00 H new ATOM 418 N PHE A 32 12.303 -5.256 9.024 1.00 0.00 N ATOM 419 CA PHE A 32 11.490 -4.064 9.238 1.00 0.00 C ATOM 420 C PHE A 32 10.735 -4.150 10.560 1.00 0.00 C ATOM 421 O PHE A 32 10.024 -5.121 10.818 1.00 0.00 O ATOM 422 CB PHE A 32 10.503 -3.882 8.084 1.00 0.00 C ATOM 423 CG PHE A 32 11.136 -3.345 6.833 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.861 -4.179 5.995 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.006 -2.008 6.494 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.445 -3.687 4.843 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.589 -1.512 5.343 1.00 0.00 C ATOM 428 CZ PHE A 32 12.309 -2.352 4.517 1.00 0.00 C ATOM 0 H PHE A 32 11.965 -5.870 8.283 1.00 0.00 H new ATOM 0 HA PHE A 32 12.156 -3.202 9.277 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.035 -4.841 7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.709 -3.205 8.399 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.970 -5.224 6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.443 -1.346 7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.007 -4.346 4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.481 -0.468 5.090 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.765 -1.966 3.617 1.00 0.00 H new ATOM 438 N HIS A 33 10.894 -3.127 11.394 1.00 0.00 N ATOM 439 CA HIS A 33 10.227 -3.085 12.690 1.00 0.00 C ATOM 440 C HIS A 33 9.189 -1.969 12.731 1.00 0.00 C ATOM 441 O HIS A 33 9.248 -1.023 11.945 1.00 0.00 O ATOM 442 CB HIS A 33 11.254 -2.891 13.809 1.00 0.00 C ATOM 443 CG HIS A 33 11.216 -3.966 14.849 1.00 0.00 C ATOM 444 ND1 HIS A 33 10.700 -3.794 16.115 1.00 0.00 N ATOM 445 CD2 HIS A 33 11.642 -5.254 14.792 1.00 0.00 C ATOM 446 CE1 HIS A 33 10.827 -4.954 16.772 1.00 0.00 C ATOM 447 NE2 HIS A 33 11.392 -5.873 16.013 1.00 0.00 N ATOM 0 H HIS A 33 11.479 -2.316 11.195 1.00 0.00 H new ATOM 0 HA HIS A 33 9.715 -4.035 12.840 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.252 -2.854 13.373 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.080 -1.927 14.288 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.102 -5.724 13.935 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.508 -5.116 17.791 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.602 -6.838 16.268 1.00 0.00 H new ATOM 455 N ILE A 34 8.238 -2.085 13.651 1.00 0.00 N ATOM 456 CA ILE A 34 7.186 -1.085 13.795 1.00 0.00 C ATOM 457 C ILE A 34 7.724 0.191 14.432 1.00 0.00 C ATOM 458 O ILE A 34 8.329 0.154 15.504 1.00 0.00 O ATOM 459 CB ILE A 34 6.017 -1.618 14.645 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.573 -2.991 14.139 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.854 -0.637 14.621 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.025 -2.967 12.728 1.00 0.00 C ATOM 0 H ILE A 34 8.174 -2.862 14.309 1.00 0.00 H new ATOM 0 HA ILE A 34 6.823 -0.861 12.792 1.00 0.00 H new ATOM 0 HB ILE A 34 6.356 -1.724 15.675 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.420 -3.676 14.180 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.811 -3.387 14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.036 -1.028 15.226 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.178 0.322 15.025 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.513 -0.501 13.594 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.730 -3.975 12.435 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.158 -2.308 12.686 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.792 -2.601 12.046 1.00 0.00 H new ATOM 474 N GLY A 35 7.500 1.319 13.767 1.00 0.00 N ATOM 475 CA GLY A 35 7.968 2.591 14.284 1.00 0.00 C ATOM 476 C GLY A 35 9.190 3.104 13.546 1.00 0.00 C ATOM 477 O GLY A 35 10.036 3.782 14.127 1.00 0.00 O ATOM 0 H GLY A 35 7.002 1.375 12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.167 3.327 14.209 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.205 2.484 15.343 1.00 0.00 H new ATOM 481 N ASP A 36 9.282 2.778 12.261 1.00 0.00 N ATOM 482 CA ASP A 36 10.408 3.209 11.442 1.00 0.00 C ATOM 483 C ASP A 36 9.929 3.759 10.103 1.00 0.00 C ATOM 484 O ASP A 36 8.867 3.380 9.608 1.00 0.00 O ATOM 485 CB ASP A 36 11.374 2.045 11.211 1.00 0.00 C ATOM 486 CG ASP A 36 12.681 2.493 10.587 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.393 3.303 11.218 1.00 0.00 O ATOM 488 OD2 ASP A 36 12.993 2.035 9.468 1.00 0.00 O ATOM 0 H ASP A 36 8.590 2.217 11.765 1.00 0.00 H new ATOM 0 HA ASP A 36 10.928 4.004 11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.579 1.552 12.161 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.900 1.306 10.564 1.00 0.00 H new ATOM 493 N ARG A 37 10.720 4.655 9.520 1.00 0.00 N ATOM 494 CA ARG A 37 10.377 5.256 8.237 1.00 0.00 C ATOM 495 C ARG A 37 10.625 4.277 7.094 1.00 0.00 C ATOM 496 O ARG A 37 11.615 3.544 7.095 1.00 0.00 O ATOM 497 CB ARG A 37 11.188 6.537 8.018 1.00 0.00 C ATOM 498 CG ARG A 37 10.340 7.798 8.002 1.00 0.00 C ATOM 499 CD ARG A 37 11.198 9.045 7.863 1.00 0.00 C ATOM 500 NE ARG A 37 12.050 9.258 9.031 1.00 0.00 N ATOM 501 CZ ARG A 37 12.791 10.347 9.219 1.00 0.00 C ATOM 502 NH1 ARG A 37 12.789 11.323 8.321 1.00 0.00 N ATOM 503 NH2 ARG A 37 13.536 10.460 10.310 1.00 0.00 N ATOM 0 H ARG A 37 11.602 4.980 9.916 1.00 0.00 H new ATOM 0 HA ARG A 37 9.316 5.505 8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.937 6.622 8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.727 6.459 7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.630 7.750 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.757 7.857 8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.820 8.959 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.555 9.913 7.721 1.00 0.00 H new ATOM 0 HE ARG A 37 12.078 8.529 9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.217 11.241 7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.359 12.155 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.541 9.713 11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.104 11.294 10.455 1.00 0.00 H new ATOM 517 N VAL A 38 9.719 4.267 6.122 1.00 0.00 N ATOM 518 CA VAL A 38 9.840 3.376 4.975 1.00 0.00 C ATOM 519 C VAL A 38 9.302 4.032 3.708 1.00 0.00 C ATOM 520 O VAL A 38 8.438 4.906 3.768 1.00 0.00 O ATOM 521 CB VAL A 38 9.087 2.052 5.211 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.735 1.263 6.337 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.620 2.319 5.510 1.00 0.00 C ATOM 0 H VAL A 38 8.893 4.866 6.106 1.00 0.00 H new ATOM 0 HA VAL A 38 10.902 3.166 4.850 1.00 0.00 H new ATOM 0 HB VAL A 38 9.145 1.454 4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.190 0.332 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.769 1.040 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.711 1.851 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.104 1.373 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.538 2.937 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.166 2.839 4.667 1.00 0.00 H new ATOM 533 N LEU A 39 9.820 3.604 2.562 1.00 0.00 N ATOM 534 CA LEU A 39 9.393 4.148 1.278 1.00 0.00 C ATOM 535 C LEU A 39 8.570 3.124 0.503 1.00 0.00 C ATOM 536 O LEU A 39 9.062 2.048 0.163 1.00 0.00 O ATOM 537 CB LEU A 39 10.607 4.576 0.451 1.00 0.00 C ATOM 538 CG LEU A 39 10.334 5.667 -0.586 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.808 6.927 0.087 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.594 5.970 -1.382 1.00 0.00 C ATOM 0 H LEU A 39 10.537 2.881 2.496 1.00 0.00 H new ATOM 0 HA LEU A 39 8.769 5.021 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.384 4.928 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.005 3.700 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 39 9.571 5.305 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.620 7.691 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.880 6.699 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.547 7.294 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.383 6.748 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.378 6.312 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.926 5.068 -1.896 1.00 0.00 H new ATOM 552 N ILE A 40 7.317 3.465 0.225 1.00 0.00 N ATOM 553 CA ILE A 40 6.428 2.573 -0.510 1.00 0.00 C ATOM 554 C ILE A 40 6.701 2.636 -2.008 1.00 0.00 C ATOM 555 O ILE A 40 6.544 3.684 -2.635 1.00 0.00 O ATOM 556 CB ILE A 40 4.948 2.917 -0.254 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.686 3.049 1.248 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.043 1.857 -0.864 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.354 3.689 1.574 1.00 0.00 C ATOM 0 H ILE A 40 6.894 4.352 0.497 1.00 0.00 H new ATOM 0 HA ILE A 40 6.626 1.563 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 40 4.725 3.872 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.726 2.060 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.484 3.640 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.001 2.115 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.214 1.807 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.264 0.888 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.235 3.751 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.318 4.691 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.548 3.087 1.154 1.00 0.00 H new ATOM 571 N GLY A 41 7.113 1.508 -2.576 1.00 0.00 N ATOM 572 CA GLY A 41 7.404 1.455 -3.996 1.00 0.00 C ATOM 573 C GLY A 41 8.499 2.422 -4.404 1.00 0.00 C ATOM 574 O GLY A 41 8.615 2.780 -5.577 1.00 0.00 O ATOM 0 H GLY A 41 7.251 0.629 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.701 0.441 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.497 1.681 -4.557 1.00 0.00 H new ATOM 578 N ASN A 42 9.305 2.847 -3.436 1.00 0.00 N ATOM 579 CA ASN A 42 10.396 3.780 -3.702 1.00 0.00 C ATOM 580 C ASN A 42 9.878 5.057 -4.357 1.00 0.00 C ATOM 581 O ASN A 42 10.391 5.493 -5.387 1.00 0.00 O ATOM 582 CB ASN A 42 11.448 3.121 -4.597 1.00 0.00 C ATOM 583 CG ASN A 42 12.361 2.188 -3.825 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.118 2.744 -2.885 1.00 0.00 O flip ATOM 585 ND2 ASN A 42 12.386 0.982 -4.069 1.00 0.00 N flip ATOM 0 H ASN A 42 9.224 2.561 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 42 10.853 4.047 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.949 2.563 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.046 3.894 -5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.788 0.597 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.005 0.367 -3.540 1.00 0.00 H new ATOM 592 N VAL A 43 8.855 5.652 -3.751 1.00 0.00 N ATOM 593 CA VAL A 43 8.266 6.879 -4.275 1.00 0.00 C ATOM 594 C VAL A 43 7.362 7.543 -3.241 1.00 0.00 C ATOM 595 O VAL A 43 7.379 8.763 -3.080 1.00 0.00 O ATOM 596 CB VAL A 43 7.454 6.608 -5.558 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.302 5.655 -5.273 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.944 7.911 -6.156 1.00 0.00 C ATOM 0 H VAL A 43 8.417 5.305 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 43 9.091 7.550 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 43 8.112 6.136 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.742 5.477 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.696 4.710 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.642 6.095 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.374 7.698 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.303 8.417 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.789 8.553 -6.403 1.00 0.00 H new ATOM 608 N GLN A 44 6.570 6.732 -2.545 1.00 0.00 N ATOM 609 CA GLN A 44 5.656 7.241 -1.529 1.00 0.00 C ATOM 610 C GLN A 44 6.281 7.155 -0.136 1.00 0.00 C ATOM 611 O GLN A 44 6.335 6.080 0.460 1.00 0.00 O ATOM 612 CB GLN A 44 4.344 6.454 -1.558 1.00 0.00 C ATOM 613 CG GLN A 44 3.291 7.064 -2.467 1.00 0.00 C ATOM 614 CD GLN A 44 1.880 6.812 -1.973 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.672 6.119 -0.977 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.899 7.374 -2.670 1.00 0.00 N ATOM 0 H GLN A 44 6.543 5.720 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 44 5.453 8.289 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.548 5.435 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.946 6.390 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.459 8.138 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.400 6.653 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.116 7.941 -3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.071 7.238 -2.386 1.00 0.00 H new ATOM 625 N PRO A 45 6.761 8.290 0.405 1.00 0.00 N ATOM 626 CA PRO A 45 7.380 8.327 1.734 1.00 0.00 C ATOM 627 C PRO A 45 6.357 8.150 2.851 1.00 0.00 C ATOM 628 O PRO A 45 5.269 8.725 2.807 1.00 0.00 O ATOM 629 CB PRO A 45 8.002 9.723 1.796 1.00 0.00 C ATOM 630 CG PRO A 45 7.169 10.546 0.877 1.00 0.00 C ATOM 631 CD PRO A 45 6.739 9.622 -0.230 1.00 0.00 C ATOM 0 HA PRO A 45 8.099 7.519 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.984 10.120 2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.045 9.707 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.305 10.960 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.738 11.389 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.745 9.874 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.418 9.672 -1.081 1.00 0.00 H new ATOM 639 N GLY A 46 6.712 7.350 3.851 1.00 0.00 N ATOM 640 CA GLY A 46 5.812 7.113 4.964 1.00 0.00 C ATOM 641 C GLY A 46 6.488 6.398 6.117 1.00 0.00 C ATOM 642 O GLY A 46 7.704 6.199 6.106 1.00 0.00 O ATOM 0 H GLY A 46 7.606 6.862 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.415 8.066 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.964 6.521 4.621 1.00 0.00 H new ATOM 646 N ILE A 47 5.700 6.012 7.115 1.00 0.00 N ATOM 647 CA ILE A 47 6.229 5.317 8.282 1.00 0.00 C ATOM 648 C ILE A 47 5.539 3.971 8.477 1.00 0.00 C ATOM 649 O ILE A 47 4.313 3.877 8.421 1.00 0.00 O ATOM 650 CB ILE A 47 6.059 6.156 9.562 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.567 7.581 9.337 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.792 5.503 10.724 1.00 0.00 C ATOM 653 CD1 ILE A 47 6.056 8.573 10.360 1.00 0.00 C ATOM 0 H ILE A 47 4.692 6.169 7.139 1.00 0.00 H new ATOM 0 HA ILE A 47 7.292 5.157 8.100 1.00 0.00 H new ATOM 0 HB ILE A 47 4.998 6.205 9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.657 7.577 9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.269 7.911 8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.663 6.108 11.622 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.386 4.506 10.896 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.853 5.427 10.488 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.456 9.562 10.139 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.967 8.605 10.323 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.376 8.266 11.356 1.00 0.00 H new ATOM 665 N LEU A 48 6.335 2.932 8.703 1.00 0.00 N ATOM 666 CA LEU A 48 5.801 1.590 8.906 1.00 0.00 C ATOM 667 C LEU A 48 5.065 1.495 10.238 1.00 0.00 C ATOM 668 O LEU A 48 5.678 1.566 11.304 1.00 0.00 O ATOM 669 CB LEU A 48 6.927 0.557 8.857 1.00 0.00 C ATOM 670 CG LEU A 48 6.483 -0.894 9.053 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.150 -1.535 7.716 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.564 -1.688 9.773 1.00 0.00 C ATOM 0 H LEU A 48 7.352 2.993 8.750 1.00 0.00 H new ATOM 0 HA LEU A 48 5.093 1.382 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.433 0.639 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.660 0.804 9.625 1.00 0.00 H new ATOM 0 HG LEU A 48 5.584 -0.900 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.836 -2.567 7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.343 -0.980 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.032 -1.519 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.232 -2.718 9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.480 -1.674 9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.755 -1.241 10.749 1.00 0.00 H new ATOM 684 N ARG A 49 3.748 1.331 10.171 1.00 0.00 N ATOM 685 CA ARG A 49 2.929 1.224 11.373 1.00 0.00 C ATOM 686 C ARG A 49 2.511 -0.222 11.619 1.00 0.00 C ATOM 687 O ARG A 49 2.319 -0.637 12.762 1.00 0.00 O ATOM 688 CB ARG A 49 1.691 2.114 11.254 1.00 0.00 C ATOM 689 CG ARG A 49 2.008 3.601 11.217 1.00 0.00 C ATOM 690 CD ARG A 49 2.554 4.091 12.549 1.00 0.00 C ATOM 691 NE ARG A 49 1.493 4.320 13.527 1.00 0.00 N ATOM 692 CZ ARG A 49 1.044 3.393 14.371 1.00 0.00 C ATOM 693 NH1 ARG A 49 1.549 2.165 14.358 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.081 3.693 15.232 1.00 0.00 N ATOM 0 H ARG A 49 3.225 1.269 9.297 1.00 0.00 H new ATOM 0 HA ARG A 49 3.526 1.559 12.221 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.147 1.845 10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.028 1.914 12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.736 3.799 10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.106 4.160 10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.258 3.358 12.943 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.110 5.016 12.394 1.00 0.00 H new ATOM 0 HE ARG A 49 1.070 5.247 13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.288 1.924 13.697 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.198 1.462 15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.315 4.633 15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.264 2.984 15.879 1.00 0.00 H new ATOM 708 N PHE A 50 2.371 -0.985 10.540 1.00 0.00 N ATOM 709 CA PHE A 50 1.976 -2.386 10.640 1.00 0.00 C ATOM 710 C PHE A 50 2.656 -3.220 9.560 1.00 0.00 C ATOM 711 O PHE A 50 3.158 -2.684 8.572 1.00 0.00 O ATOM 712 CB PHE A 50 0.456 -2.519 10.523 1.00 0.00 C ATOM 713 CG PHE A 50 -0.037 -3.928 10.681 1.00 0.00 C ATOM 714 CD1 PHE A 50 0.045 -4.571 11.907 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.582 -4.611 9.606 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.407 -5.868 12.056 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.036 -5.908 9.749 1.00 0.00 C ATOM 718 CZ PHE A 50 -0.948 -6.538 10.976 1.00 0.00 C ATOM 0 H PHE A 50 2.525 -0.657 9.586 1.00 0.00 H new ATOM 0 HA PHE A 50 2.292 -2.759 11.614 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.015 -1.891 11.279 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.140 -2.139 9.552 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.467 -4.052 12.755 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.653 -4.124 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.337 -6.358 13.016 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.459 -6.429 8.903 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.302 -7.552 11.090 1.00 0.00 H new ATOM 728 N LYS A 51 2.669 -4.535 9.755 1.00 0.00 N ATOM 729 CA LYS A 51 3.288 -5.443 8.797 1.00 0.00 C ATOM 730 C LYS A 51 2.996 -6.897 9.157 1.00 0.00 C ATOM 731 O LYS A 51 3.491 -7.409 10.161 1.00 0.00 O ATOM 732 CB LYS A 51 4.799 -5.213 8.744 1.00 0.00 C ATOM 733 CG LYS A 51 5.462 -5.213 10.113 1.00 0.00 C ATOM 734 CD LYS A 51 6.327 -6.447 10.315 1.00 0.00 C ATOM 735 CE LYS A 51 6.864 -6.525 11.735 1.00 0.00 C ATOM 736 NZ LYS A 51 5.791 -6.849 12.717 1.00 0.00 N ATOM 0 H LYS A 51 2.258 -4.995 10.567 1.00 0.00 H new ATOM 0 HA LYS A 51 2.862 -5.238 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.255 -5.988 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.996 -4.260 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.074 -4.317 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.697 -5.173 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.744 -7.341 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.159 -6.429 9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.645 -7.284 11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.325 -5.574 12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.207 -7.331 13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.328 -5.971 13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.088 -7.472 12.270 1.00 0.00 H new ATOM 750 N GLY A 52 2.187 -7.555 8.332 1.00 0.00 N ATOM 751 CA GLY A 52 1.844 -8.943 8.581 1.00 0.00 C ATOM 752 C GLY A 52 0.595 -9.373 7.837 1.00 0.00 C ATOM 753 O GLY A 52 -0.032 -8.570 7.146 1.00 0.00 O ATOM 0 H GLY A 52 1.763 -7.152 7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.678 -9.579 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.695 -9.091 9.651 1.00 0.00 H new ATOM 757 N GLU A 53 0.234 -10.644 7.978 1.00 0.00 N ATOM 758 CA GLU A 53 -0.947 -11.181 7.313 1.00 0.00 C ATOM 759 C GLU A 53 -2.223 -10.648 7.957 1.00 0.00 C ATOM 760 O GLU A 53 -2.496 -10.911 9.129 1.00 0.00 O ATOM 761 CB GLU A 53 -0.937 -12.711 7.365 1.00 0.00 C ATOM 762 CG GLU A 53 0.026 -13.346 6.376 1.00 0.00 C ATOM 763 CD GLU A 53 0.049 -14.859 6.476 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.515 -15.379 7.511 1.00 0.00 O ATOM 765 OE2 GLU A 53 -0.399 -15.524 5.518 1.00 0.00 O ATOM 0 H GLU A 53 0.742 -11.321 8.547 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.924 -10.860 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.673 -13.030 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.944 -13.080 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.255 -13.056 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.030 -12.958 6.551 1.00 0.00 H new ATOM 772 N THR A 54 -3.002 -9.899 7.184 1.00 0.00 N ATOM 773 CA THR A 54 -4.249 -9.329 7.678 1.00 0.00 C ATOM 774 C THR A 54 -5.359 -10.374 7.688 1.00 0.00 C ATOM 775 O THR A 54 -5.136 -11.535 7.343 1.00 0.00 O ATOM 776 CB THR A 54 -4.665 -8.134 6.819 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.697 -8.489 5.449 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.742 -6.943 6.963 1.00 0.00 C ATOM 0 H THR A 54 -2.791 -9.673 6.212 1.00 0.00 H new ATOM 0 HA THR A 54 -4.084 -8.991 8.701 1.00 0.00 H new ATOM 0 HB THR A 54 -5.655 -7.851 7.177 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.991 -8.008 4.970 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.094 -6.131 6.327 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.733 -6.613 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.733 -7.226 6.664 1.00 0.00 H new ATOM 786 N SER A 55 -6.558 -9.955 8.084 1.00 0.00 N ATOM 787 CA SER A 55 -7.702 -10.856 8.138 1.00 0.00 C ATOM 788 C SER A 55 -8.577 -10.699 6.898 1.00 0.00 C ATOM 789 O SER A 55 -9.206 -11.655 6.445 1.00 0.00 O ATOM 790 CB SER A 55 -8.530 -10.589 9.396 1.00 0.00 C ATOM 791 OG SER A 55 -9.434 -11.650 9.649 1.00 0.00 O ATOM 0 H SER A 55 -6.761 -8.998 8.372 1.00 0.00 H new ATOM 0 HA SER A 55 -7.326 -11.878 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.866 -10.462 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.083 -9.657 9.280 1.00 0.00 H new ATOM 0 HG SER A 55 -9.949 -11.454 10.459 1.00 0.00 H new ATOM 797 N PHE A 56 -8.610 -9.487 6.353 1.00 0.00 N ATOM 798 CA PHE A 56 -9.407 -9.205 5.165 1.00 0.00 C ATOM 799 C PHE A 56 -8.753 -9.793 3.919 1.00 0.00 C ATOM 800 O PHE A 56 -9.414 -10.435 3.102 1.00 0.00 O ATOM 801 CB PHE A 56 -9.589 -7.695 4.993 1.00 0.00 C ATOM 802 CG PHE A 56 -8.301 -6.956 4.776 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.580 -6.461 5.850 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.810 -6.756 3.495 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.394 -5.780 5.652 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.625 -6.076 3.291 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.915 -5.587 4.371 1.00 0.00 C ATOM 0 H PHE A 56 -8.094 -8.685 6.715 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.384 -9.670 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.251 -7.511 4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.084 -7.294 5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.949 -6.609 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.360 -7.136 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.842 -5.399 6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.254 -5.927 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.988 -5.055 4.214 1.00 0.00 H new ATOM 817 N ALA A 57 -7.450 -9.570 3.779 1.00 0.00 N ATOM 818 CA ALA A 57 -6.707 -10.079 2.632 1.00 0.00 C ATOM 819 C ALA A 57 -5.653 -11.092 3.066 1.00 0.00 C ATOM 820 O ALA A 57 -5.449 -11.319 4.259 1.00 0.00 O ATOM 821 CB ALA A 57 -6.057 -8.931 1.874 1.00 0.00 C ATOM 0 H ALA A 57 -6.887 -9.041 4.445 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.410 -10.586 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.506 -9.325 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.827 -8.244 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.372 -8.400 2.535 1.00 0.00 H new ATOM 827 N LYS A 58 -4.985 -11.698 2.090 1.00 0.00 N ATOM 828 CA LYS A 58 -3.951 -12.687 2.371 1.00 0.00 C ATOM 829 C LYS A 58 -2.562 -12.112 2.111 1.00 0.00 C ATOM 830 O LYS A 58 -2.406 -11.168 1.338 1.00 0.00 O ATOM 831 CB LYS A 58 -4.167 -13.938 1.517 1.00 0.00 C ATOM 832 CG LYS A 58 -3.362 -15.141 1.983 1.00 0.00 C ATOM 833 CD LYS A 58 -2.136 -15.363 1.112 1.00 0.00 C ATOM 834 CE LYS A 58 -1.907 -16.842 0.842 1.00 0.00 C ATOM 835 NZ LYS A 58 -1.363 -17.080 -0.524 1.00 0.00 N ATOM 0 H LYS A 58 -5.141 -11.522 1.098 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.020 -12.959 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.226 -14.195 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.902 -13.712 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.053 -14.994 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.991 -16.031 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.259 -14.834 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.259 -14.941 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.216 -17.243 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.847 -17.382 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.221 -18.100 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.034 -16.720 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.453 -16.586 -0.626 1.00 0.00 H new ATOM 849 N GLY A 59 -1.557 -12.689 2.762 1.00 0.00 N ATOM 850 CA GLY A 59 -0.195 -12.222 2.587 1.00 0.00 C ATOM 851 C GLY A 59 0.140 -11.057 3.497 1.00 0.00 C ATOM 852 O GLY A 59 -0.751 -10.440 4.081 1.00 0.00 O ATOM 0 H GLY A 59 -1.662 -13.472 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.495 -13.043 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.047 -11.923 1.549 1.00 0.00 H new ATOM 856 N PHE A 60 1.429 -10.755 3.619 1.00 0.00 N ATOM 857 CA PHE A 60 1.879 -9.656 4.465 1.00 0.00 C ATOM 858 C PHE A 60 1.345 -8.322 3.954 1.00 0.00 C ATOM 859 O PHE A 60 1.393 -8.039 2.757 1.00 0.00 O ATOM 860 CB PHE A 60 3.409 -9.622 4.522 1.00 0.00 C ATOM 861 CG PHE A 60 3.970 -10.077 5.839 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.695 -11.345 6.323 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.772 -9.236 6.592 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.210 -11.766 7.535 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.289 -9.651 7.805 1.00 0.00 C ATOM 866 CZ PHE A 60 5.008 -10.917 8.276 1.00 0.00 C ATOM 0 H PHE A 60 2.179 -11.256 3.143 1.00 0.00 H new ATOM 0 HA PHE A 60 1.490 -9.820 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.808 -10.254 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.750 -8.606 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.071 -12.013 5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.996 -8.244 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.988 -12.757 7.902 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.912 -8.985 8.383 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.412 -11.244 9.223 1.00 0.00 H new ATOM 876 N TRP A 61 0.836 -7.504 4.869 1.00 0.00 N ATOM 877 CA TRP A 61 0.292 -6.199 4.512 1.00 0.00 C ATOM 878 C TRP A 61 0.879 -5.105 5.398 1.00 0.00 C ATOM 879 O TRP A 61 0.473 -4.939 6.548 1.00 0.00 O ATOM 880 CB TRP A 61 -1.232 -6.206 4.634 1.00 0.00 C ATOM 881 CG TRP A 61 -1.914 -6.953 3.529 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.477 -8.195 3.605 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.106 -6.505 2.183 1.00 0.00 C ATOM 884 NE1 TRP A 61 -3.006 -8.546 2.387 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.792 -7.526 1.498 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.765 -5.340 1.491 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.142 -7.416 0.155 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.113 -5.232 0.157 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.795 -6.265 -0.499 1.00 0.00 C ATOM 0 H TRP A 61 0.789 -7.722 5.864 1.00 0.00 H new ATOM 0 HA TRP A 61 0.565 -5.991 3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.511 -6.651 5.589 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.593 -5.178 4.644 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.502 -8.810 4.492 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.481 -9.424 2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.239 -4.539 1.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.669 -8.211 -0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.855 -4.336 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.052 -6.151 -1.542 1.00 0.00 H new ATOM 900 N ALA A 62 1.838 -4.362 4.855 1.00 0.00 N ATOM 901 CA ALA A 62 2.481 -3.285 5.597 1.00 0.00 C ATOM 902 C ALA A 62 1.631 -2.019 5.575 1.00 0.00 C ATOM 903 O ALA A 62 1.304 -1.498 4.509 1.00 0.00 O ATOM 904 CB ALA A 62 3.864 -3.005 5.028 1.00 0.00 C ATOM 0 H ALA A 62 2.186 -4.486 3.904 1.00 0.00 H new ATOM 0 HA ALA A 62 2.585 -3.603 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.333 -2.198 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.477 -3.903 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.775 -2.712 3.982 1.00 0.00 H new ATOM 910 N GLY A 63 1.278 -1.529 6.758 1.00 0.00 N ATOM 911 CA GLY A 63 0.470 -0.327 6.852 1.00 0.00 C ATOM 912 C GLY A 63 1.307 0.918 7.065 1.00 0.00 C ATOM 913 O GLY A 63 1.528 1.339 8.200 1.00 0.00 O ATOM 0 H GLY A 63 1.537 -1.943 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.117 -0.215 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.237 -0.431 7.675 1.00 0.00 H new ATOM 917 N VAL A 64 1.775 1.507 5.970 1.00 0.00 N ATOM 918 CA VAL A 64 2.595 2.711 6.040 1.00 0.00 C ATOM 919 C VAL A 64 1.730 3.956 6.200 1.00 0.00 C ATOM 920 O VAL A 64 0.674 4.075 5.579 1.00 0.00 O ATOM 921 CB VAL A 64 3.472 2.868 4.784 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.478 3.994 4.972 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.178 1.561 4.457 1.00 0.00 C ATOM 0 H VAL A 64 1.601 1.170 5.023 1.00 0.00 H new ATOM 0 HA VAL A 64 3.239 2.604 6.913 1.00 0.00 H new ATOM 0 HB VAL A 64 2.827 3.125 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.089 4.090 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.948 4.929 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.119 3.771 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.793 1.692 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.811 1.270 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.437 0.783 4.275 1.00 0.00 H new ATOM 933 N GLU A 65 2.187 4.885 7.035 1.00 0.00 N ATOM 934 CA GLU A 65 1.455 6.123 7.275 1.00 0.00 C ATOM 935 C GLU A 65 2.063 7.274 6.481 1.00 0.00 C ATOM 936 O GLU A 65 3.072 7.854 6.882 1.00 0.00 O ATOM 937 CB GLU A 65 1.458 6.460 8.767 1.00 0.00 C ATOM 938 CG GLU A 65 0.241 7.255 9.213 1.00 0.00 C ATOM 939 CD GLU A 65 0.453 7.947 10.544 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.063 9.036 10.557 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.009 7.400 11.575 1.00 0.00 O ATOM 0 H GLU A 65 3.060 4.803 7.556 1.00 0.00 H new ATOM 0 HA GLU A 65 0.426 5.979 6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.507 5.534 9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.358 7.028 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.000 8.000 8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.617 6.587 9.287 1.00 0.00 H new ATOM 948 N LEU A 66 1.443 7.600 5.352 1.00 0.00 N ATOM 949 CA LEU A 66 1.922 8.682 4.499 1.00 0.00 C ATOM 950 C LEU A 66 1.899 10.013 5.243 1.00 0.00 C ATOM 951 O LEU A 66 1.035 10.248 6.088 1.00 0.00 O ATOM 952 CB LEU A 66 1.072 8.775 3.232 1.00 0.00 C ATOM 953 CG LEU A 66 0.918 7.464 2.458 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.089 7.626 1.330 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.262 7.005 1.915 1.00 0.00 C ATOM 0 H LEU A 66 0.607 7.130 5.006 1.00 0.00 H new ATOM 0 HA LEU A 66 2.952 8.462 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.081 9.137 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.514 9.520 2.570 1.00 0.00 H new ATOM 0 HG LEU A 66 0.546 6.701 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.186 6.684 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.057 7.908 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.253 8.403 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.134 6.071 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.663 7.766 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.954 6.848 2.742 1.00 0.00 H new ATOM 967 N ASP A 67 2.852 10.881 4.922 1.00 0.00 N ATOM 968 CA ASP A 67 2.942 12.190 5.559 1.00 0.00 C ATOM 969 C ASP A 67 1.820 13.106 5.084 1.00 0.00 C ATOM 970 O ASP A 67 1.292 13.909 5.853 1.00 0.00 O ATOM 971 CB ASP A 67 4.299 12.832 5.265 1.00 0.00 C ATOM 972 CG ASP A 67 5.428 12.175 6.034 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.526 10.930 5.999 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.215 12.905 6.674 1.00 0.00 O ATOM 0 H ASP A 67 3.574 10.702 4.224 1.00 0.00 H new ATOM 0 HA ASP A 67 2.840 12.049 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.505 12.767 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.259 13.891 5.518 1.00 0.00 H new ATOM 979 N LYS A 68 1.460 12.981 3.810 1.00 0.00 N ATOM 980 CA LYS A 68 0.400 13.799 3.231 1.00 0.00 C ATOM 981 C LYS A 68 -0.743 12.925 2.720 1.00 0.00 C ATOM 982 O LYS A 68 -0.547 11.750 2.410 1.00 0.00 O ATOM 983 CB LYS A 68 0.952 14.653 2.088 1.00 0.00 C ATOM 984 CG LYS A 68 2.236 15.384 2.440 1.00 0.00 C ATOM 985 CD LYS A 68 3.077 15.657 1.203 1.00 0.00 C ATOM 986 CE LYS A 68 4.515 15.992 1.567 1.00 0.00 C ATOM 987 NZ LYS A 68 4.774 17.457 1.516 1.00 0.00 N ATOM 0 H LYS A 68 1.887 12.321 3.159 1.00 0.00 H new ATOM 0 HA LYS A 68 0.014 14.454 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.133 14.015 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.198 15.383 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.996 16.326 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.812 14.790 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.060 14.784 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.641 16.483 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.732 15.620 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.191 15.480 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.765 17.643 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.592 17.809 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.147 17.944 2.187 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.959 13.490 2.626 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.136 12.757 2.148 1.00 0.00 C ATOM 1003 C PRO A 69 -2.909 12.129 0.777 1.00 0.00 C ATOM 1004 O PRO A 69 -3.218 12.731 -0.250 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.224 13.833 2.069 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.784 14.892 3.019 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.281 14.886 2.975 1.00 0.00 C ATOM 0 HA PRO A 69 -3.390 11.925 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.319 14.225 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.198 13.431 2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.179 15.866 2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.146 14.688 4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.897 15.585 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.849 15.171 3.934 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.366 10.916 0.769 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.096 10.208 -0.476 1.00 0.00 C ATOM 1017 C GLU A 70 -2.380 8.716 -0.328 1.00 0.00 C ATOM 1018 O GLU A 70 -1.743 7.886 -0.976 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.642 10.423 -0.904 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.384 11.788 -1.518 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.186 11.723 -3.020 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -1.171 11.448 -3.739 1.00 0.00 O ATOM 1023 OE2 GLU A 70 0.954 11.948 -3.479 1.00 0.00 O ATOM 0 H GLU A 70 -2.104 10.403 1.611 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.757 10.610 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.006 10.296 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.366 9.652 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.222 12.448 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.500 12.228 -1.057 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.340 8.384 0.529 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.693 6.993 0.746 1.00 0.00 C ATOM 1032 C GLY A 71 -5.175 6.736 0.557 1.00 0.00 C ATOM 1033 O GLY A 71 -5.806 7.319 -0.325 1.00 0.00 O ATOM 0 H GLY A 71 -3.880 9.054 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.128 6.366 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.402 6.700 1.755 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.733 5.861 1.388 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.151 5.530 1.306 1.00 0.00 C ATOM 1039 C ASN A 72 -7.581 4.679 2.497 1.00 0.00 C ATOM 1040 O ASN A 72 -8.434 3.800 2.369 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.449 4.789 0.001 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.669 3.495 -0.120 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.384 3.606 -0.436 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.214 2.408 0.067 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.226 5.370 2.124 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.717 6.461 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.516 4.574 -0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.209 5.435 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.204 2.369 0.308 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.676 1.546 -0.019 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.987 4.947 3.655 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.311 4.208 4.870 1.00 0.00 C ATOM 1053 C ASN A 73 -6.898 4.994 6.110 1.00 0.00 C ATOM 1054 O ASN A 73 -6.026 5.860 6.046 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.618 2.844 4.863 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.292 1.857 3.930 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.513 1.703 3.947 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.496 1.183 3.107 1.00 0.00 N ATOM 0 H ASN A 73 -6.279 5.671 3.778 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.390 4.059 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.577 2.970 4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.612 2.438 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.892 0.506 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.489 1.343 3.127 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.531 4.686 7.238 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.229 5.364 8.494 1.00 0.00 C ATOM 1067 C ASN A 74 -6.709 4.379 9.537 1.00 0.00 C ATOM 1068 O ASN A 74 -6.823 4.618 10.739 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.475 6.076 9.023 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.637 5.126 9.236 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.509 3.917 9.044 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.781 5.670 9.635 1.00 0.00 N ATOM 0 H ASN A 74 -8.256 3.972 7.308 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.450 6.102 8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.236 6.570 9.965 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.770 6.855 8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.598 5.080 9.794 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.843 6.677 9.782 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.138 3.273 9.071 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.610 2.272 9.980 1.00 0.00 C ATOM 1081 C GLY A 75 -6.607 1.169 10.280 1.00 0.00 C ATOM 1082 O GLY A 75 -6.220 0.041 10.581 1.00 0.00 O ATOM 0 H GLY A 75 -6.031 3.052 8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.710 1.835 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.316 2.753 10.913 1.00 0.00 H new ATOM 1086 N THR A 76 -7.893 1.495 10.196 1.00 0.00 N ATOM 1087 CA THR A 76 -8.946 0.522 10.462 1.00 0.00 C ATOM 1088 C THR A 76 -9.543 -0.003 9.161 1.00 0.00 C ATOM 1089 O THR A 76 -10.278 0.706 8.473 1.00 0.00 O ATOM 1090 CB THR A 76 -10.043 1.149 11.325 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.537 2.253 12.056 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.650 0.180 12.317 1.00 0.00 C ATOM 0 H THR A 76 -8.230 2.425 9.946 1.00 0.00 H new ATOM 0 HA THR A 76 -8.504 -0.316 11.001 1.00 0.00 H new ATOM 0 HB THR A 76 -10.818 1.461 10.626 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.254 2.641 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.421 0.688 12.897 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.093 -0.659 11.781 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.874 -0.187 12.988 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.224 -1.249 8.830 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.729 -1.870 7.612 1.00 0.00 C ATOM 1102 C TYR A 77 -10.944 -2.743 7.910 1.00 0.00 C ATOM 1103 O TYR A 77 -10.814 -3.835 8.463 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.633 -2.709 6.950 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.825 -2.890 5.461 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.668 -3.876 4.964 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -8.163 -2.074 4.552 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.844 -4.045 3.604 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -8.335 -2.236 3.191 1.00 0.00 C ATOM 1110 CZ TYR A 77 -9.176 -3.221 2.722 1.00 0.00 C ATOM 1111 OH TYR A 77 -9.351 -3.386 1.367 1.00 0.00 O ATOM 0 H TYR A 77 -8.617 -1.849 9.389 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.033 -1.077 6.928 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.667 -2.236 7.128 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.600 -3.689 7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.194 -4.521 5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.503 -1.300 4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.501 -4.818 3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.813 -1.593 2.498 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.811 -2.726 0.885 1.00 0.00 H new ATOM 1121 N ASP A 78 -12.123 -2.255 7.540 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.361 -2.990 7.768 1.00 0.00 C ATOM 1123 C ASP A 78 -13.597 -3.211 9.260 1.00 0.00 C ATOM 1124 O ASP A 78 -14.194 -4.209 9.662 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.322 -4.335 7.041 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.699 -4.795 6.601 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -15.421 -3.991 5.976 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -15.054 -5.959 6.882 1.00 0.00 O ATOM 0 H ASP A 78 -12.247 -1.353 7.081 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.185 -2.395 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.673 -4.255 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.883 -5.087 7.697 1.00 0.00 H new ATOM 1133 N GLY A 79 -13.124 -2.274 10.074 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.294 -2.385 11.510 1.00 0.00 C ATOM 1135 C GLY A 79 -12.026 -2.831 12.213 1.00 0.00 C ATOM 1136 O GLY A 79 -11.809 -2.508 13.381 1.00 0.00 O ATOM 0 H GLY A 79 -12.626 -1.439 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.608 -1.421 11.911 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.093 -3.095 11.724 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.187 -3.575 11.501 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.934 -4.065 12.064 1.00 0.00 C ATOM 1142 C ILE A 80 -8.911 -2.942 12.188 1.00 0.00 C ATOM 1143 O ILE A 80 -8.302 -2.532 11.201 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.337 -5.196 11.204 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.399 -6.253 10.901 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.143 -5.824 11.910 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.910 -6.968 12.133 1.00 0.00 C ATOM 0 H ILE A 80 -11.352 -3.852 10.533 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.163 -4.455 13.056 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.995 -4.772 10.260 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.238 -5.778 10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.983 -6.987 10.211 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.732 -6.621 11.291 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.379 -5.065 12.078 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.462 -6.236 12.867 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.660 -7.703 11.842 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.082 -7.472 12.631 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.357 -6.244 12.815 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.728 -2.448 13.408 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.779 -1.372 13.663 1.00 0.00 C ATOM 1161 C ALA A 81 -6.351 -1.902 13.732 1.00 0.00 C ATOM 1162 O ALA A 81 -5.992 -2.628 14.660 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.137 -0.647 14.952 1.00 0.00 C ATOM 0 H ALA A 81 -9.225 -2.776 14.236 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.837 -0.667 12.834 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.420 0.154 15.130 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.138 -0.225 14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.110 -1.350 15.785 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.540 -1.536 12.746 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.151 -1.976 12.694 1.00 0.00 C ATOM 1171 C TYR A 82 -3.219 -0.899 13.240 1.00 0.00 C ATOM 1172 O TYR A 82 -2.179 -1.201 13.825 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.758 -2.328 11.259 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.345 -3.633 10.773 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -4.008 -4.837 11.380 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.235 -3.662 9.707 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.543 -6.032 10.939 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.774 -4.854 9.260 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.424 -6.036 9.879 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.958 -7.224 9.436 1.00 0.00 O ATOM 0 H TYR A 82 -5.821 -0.935 11.971 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.054 -2.865 13.317 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.080 -1.525 10.596 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.671 -2.381 11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.317 -4.838 12.210 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.510 -2.738 9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.272 -6.959 11.423 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.466 -4.860 8.430 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.727 -7.041 8.857 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.601 0.360 13.047 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.801 1.483 13.521 1.00 0.00 C ATOM 1192 C PHE A 83 -3.626 2.765 13.546 1.00 0.00 C ATOM 1193 O PHE A 83 -4.773 2.786 13.098 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.571 1.672 12.632 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.887 1.688 11.164 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -2.205 2.875 10.523 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.866 0.516 10.425 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.496 2.893 9.173 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.157 0.528 9.074 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.473 1.717 8.447 1.00 0.00 C ATOM 0 H PHE A 83 -4.460 0.627 12.566 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.475 1.261 14.537 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.080 2.608 12.900 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.861 0.870 12.834 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.225 3.797 11.086 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.620 -0.417 10.910 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.741 3.825 8.685 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.137 -0.392 8.509 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.702 1.728 7.392 1.00 0.00 H new ATOM 1210 N GLU A 84 -3.036 3.833 14.074 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.717 5.119 14.157 1.00 0.00 C ATOM 1212 C GLU A 84 -3.142 6.107 13.147 1.00 0.00 C ATOM 1213 O GLU A 84 -1.930 6.166 12.942 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.599 5.692 15.570 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.538 6.857 15.836 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.960 7.861 16.814 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -3.997 7.590 18.033 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.473 8.917 16.362 1.00 0.00 O ATOM 0 H GLU A 84 -2.088 3.833 14.450 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.769 4.959 13.923 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.802 4.901 16.292 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.572 6.019 15.736 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.763 7.360 14.895 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.481 6.476 16.227 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.021 6.883 12.519 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.603 7.869 11.532 1.00 0.00 C ATOM 1227 C CYS A 85 -4.792 8.695 11.052 1.00 0.00 C ATOM 1228 O CYS A 85 -5.901 8.559 11.566 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.931 7.180 10.343 1.00 0.00 C ATOM 1230 SG CYS A 85 -4.023 6.073 9.418 1.00 0.00 S ATOM 0 H CYS A 85 -5.028 6.847 12.678 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.886 8.539 12.006 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.545 7.942 9.666 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.074 6.610 10.703 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.726 4.838 9.696 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.552 9.550 10.063 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.605 10.397 9.515 1.00 0.00 C ATOM 1238 C LYS A 86 -6.657 9.561 8.794 1.00 0.00 C ATOM 1239 O LYS A 86 -6.631 8.331 8.847 1.00 0.00 O ATOM 1240 CB LYS A 86 -5.007 11.431 8.557 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.906 12.825 9.155 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.654 12.980 10.002 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.615 13.850 9.312 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.557 15.218 9.899 1.00 0.00 N ATOM 0 H LYS A 86 -3.639 9.674 9.625 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.089 10.916 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.013 11.102 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.617 11.475 7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.899 13.565 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.786 13.024 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.917 13.420 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.229 11.998 10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.636 13.379 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.848 13.920 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.837 15.779 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.484 15.678 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.309 15.153 10.907 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.583 10.236 8.121 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.646 9.556 7.390 1.00 0.00 C ATOM 1260 C GLU A 87 -8.103 8.896 6.125 1.00 0.00 C ATOM 1261 O GLU A 87 -8.413 7.741 5.834 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.758 10.545 7.031 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.136 10.109 7.506 1.00 0.00 C ATOM 1264 CD GLU A 87 -12.008 11.280 7.914 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -12.019 12.293 7.185 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.680 11.183 8.961 1.00 0.00 O ATOM 0 H GLU A 87 -7.619 11.254 8.067 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.056 8.777 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.523 11.517 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.780 10.677 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.631 9.552 6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.027 9.430 8.351 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.294 9.639 5.376 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.710 9.125 4.142 1.00 0.00 C ATOM 1275 C LYS A 88 -5.196 9.319 4.133 1.00 0.00 C ATOM 1276 O LYS A 88 -4.650 9.991 3.258 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.335 9.821 2.931 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.852 9.722 2.888 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.496 11.078 2.644 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.676 11.352 1.160 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.067 11.076 0.709 1.00 0.00 N ATOM 0 H LYS A 88 -7.028 10.598 5.602 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.919 8.057 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.048 10.872 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.925 9.385 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.150 9.030 2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.217 9.309 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.465 11.116 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.879 11.860 3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.426 12.392 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.981 10.736 0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.148 11.275 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.298 10.077 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.729 11.682 1.234 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.523 8.723 5.112 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.072 8.828 5.216 1.00 0.00 C ATOM 1297 C HIS A 89 -2.424 7.447 5.208 1.00 0.00 C ATOM 1298 O HIS A 89 -1.405 7.232 4.553 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.685 9.581 6.490 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.512 11.054 6.286 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.385 11.754 6.653 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.356 11.965 5.736 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.573 13.039 6.325 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.754 13.221 5.765 1.00 0.00 N ATOM 0 H HIS A 89 -4.959 8.163 5.844 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.709 9.383 4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.451 9.415 7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.756 9.165 6.880 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.554 11.363 7.096 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.337 11.750 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.852 13.824 6.497 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.024 6.513 5.940 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.493 5.164 6.004 1.00 0.00 C ATOM 1314 C GLY A 90 -2.853 4.344 4.781 1.00 0.00 C ATOM 1315 O GLY A 90 -3.954 4.470 4.244 1.00 0.00 O ATOM 0 H GLY A 90 -3.869 6.667 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.408 5.207 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.875 4.668 6.896 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.924 3.501 4.339 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.153 2.660 3.171 1.00 0.00 C ATOM 1321 C ILE A 91 -1.474 1.302 3.330 1.00 0.00 C ATOM 1322 O ILE A 91 -0.280 1.222 3.618 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.641 3.336 1.883 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.985 2.484 0.658 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.140 3.574 1.966 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.125 3.287 -0.616 1.00 0.00 C ATOM 0 H ILE A 91 -1.008 3.383 4.772 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.230 2.515 3.090 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.136 4.302 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.209 1.731 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.917 1.951 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.204 4.052 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.079 4.220 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.373 2.621 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.369 2.619 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.921 4.023 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.186 3.799 -0.828 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.245 0.235 3.142 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.720 -1.119 3.264 1.00 0.00 C ATOM 1340 C PHE A 92 -1.064 -1.567 1.962 1.00 0.00 C ATOM 1341 O PHE A 92 -1.729 -1.707 0.936 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.840 -2.091 3.643 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.534 -1.737 4.926 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.644 -0.906 4.922 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.081 -2.237 6.136 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -5.286 -0.579 6.101 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.718 -1.914 7.318 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.822 -1.083 7.301 1.00 0.00 C ATOM 0 H PHE A 92 -3.236 0.283 2.905 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.965 -1.119 4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.574 -2.118 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.425 -3.095 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.011 -0.510 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.219 -2.887 6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.149 0.070 6.085 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.354 -2.310 8.254 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.321 -0.828 8.224 1.00 0.00 H new ATOM 1358 N ALA A 93 0.245 -1.790 2.010 1.00 0.00 N ATOM 1359 CA ALA A 93 0.990 -2.223 0.834 1.00 0.00 C ATOM 1360 C ALA A 93 1.807 -3.478 1.133 1.00 0.00 C ATOM 1361 O ALA A 93 2.336 -3.635 2.234 1.00 0.00 O ATOM 1362 CB ALA A 93 1.898 -1.104 0.345 1.00 0.00 C ATOM 0 H ALA A 93 0.812 -1.678 2.851 1.00 0.00 H new ATOM 0 HA ALA A 93 0.274 -2.466 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.449 -1.440 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.295 -0.234 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.601 -0.835 1.133 1.00 0.00 H new ATOM 1368 N PRO A 94 1.922 -4.394 0.154 1.00 0.00 N ATOM 1369 CA PRO A 94 2.680 -5.638 0.323 1.00 0.00 C ATOM 1370 C PRO A 94 4.106 -5.385 0.805 1.00 0.00 C ATOM 1371 O PRO A 94 4.613 -4.266 0.711 1.00 0.00 O ATOM 1372 CB PRO A 94 2.691 -6.245 -1.082 1.00 0.00 C ATOM 1373 CG PRO A 94 1.492 -5.672 -1.753 1.00 0.00 C ATOM 1374 CD PRO A 94 1.324 -4.289 -1.191 1.00 0.00 C ATOM 0 HA PRO A 94 2.234 -6.287 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.605 -5.987 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.641 -7.333 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.628 -5.640 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.609 -6.281 -1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.833 -3.543 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.274 -3.999 -1.143 1.00 0.00 H new ATOM 1382 N PRO A 95 4.776 -6.427 1.329 1.00 0.00 N ATOM 1383 CA PRO A 95 6.151 -6.312 1.824 1.00 0.00 C ATOM 1384 C PRO A 95 7.136 -5.956 0.717 1.00 0.00 C ATOM 1385 O PRO A 95 8.128 -5.266 0.951 1.00 0.00 O ATOM 1386 CB PRO A 95 6.455 -7.706 2.383 1.00 0.00 C ATOM 1387 CG PRO A 95 5.486 -8.613 1.704 1.00 0.00 C ATOM 1388 CD PRO A 95 4.248 -7.794 1.476 1.00 0.00 C ATOM 0 HA PRO A 95 6.249 -5.516 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.484 -8.000 2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.330 -7.733 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.890 -8.981 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.269 -9.485 2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.710 -8.116 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.554 -7.871 2.313 1.00 0.00 H new ATOM 1396 N GLN A 96 6.854 -6.430 -0.492 1.00 0.00 N ATOM 1397 CA GLN A 96 7.714 -6.161 -1.639 1.00 0.00 C ATOM 1398 C GLN A 96 7.822 -4.661 -1.899 1.00 0.00 C ATOM 1399 O GLN A 96 8.828 -4.183 -2.422 1.00 0.00 O ATOM 1400 CB GLN A 96 7.177 -6.869 -2.884 1.00 0.00 C ATOM 1401 CG GLN A 96 5.726 -6.535 -3.193 1.00 0.00 C ATOM 1402 CD GLN A 96 5.538 -5.981 -4.592 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.397 -6.146 -5.458 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.410 -5.318 -4.820 1.00 0.00 N ATOM 0 H GLN A 96 6.037 -7.002 -0.703 1.00 0.00 H new ATOM 0 HA GLN A 96 8.709 -6.545 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.794 -6.599 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.273 -7.946 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.118 -7.432 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.362 -5.808 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.725 -5.205 -4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.229 -4.922 -5.742 1.00 0.00 H new ATOM 1413 N LYS A 97 6.778 -3.925 -1.532 1.00 0.00 N ATOM 1414 CA LYS A 97 6.755 -2.480 -1.726 1.00 0.00 C ATOM 1415 C LYS A 97 7.143 -1.752 -0.444 1.00 0.00 C ATOM 1416 O LYS A 97 6.615 -0.681 -0.142 1.00 0.00 O ATOM 1417 CB LYS A 97 5.367 -2.028 -2.184 1.00 0.00 C ATOM 1418 CG LYS A 97 4.867 -2.758 -3.420 1.00 0.00 C ATOM 1419 CD LYS A 97 4.759 -1.826 -4.617 1.00 0.00 C ATOM 1420 CE LYS A 97 3.542 -0.920 -4.511 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.913 0.466 -4.109 1.00 0.00 N ATOM 0 H LYS A 97 5.937 -4.306 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 97 7.483 -2.231 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.658 -2.180 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.392 -0.958 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.544 -3.578 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.892 -3.199 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.661 -1.218 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.697 -2.414 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.025 -0.893 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.844 -1.334 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.240 0.813 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.873 0.466 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.886 1.088 -4.942 1.00 0.00 H new ATOM 1435 N ILE A 98 8.069 -2.338 0.308 1.00 0.00 N ATOM 1436 CA ILE A 98 8.527 -1.745 1.557 1.00 0.00 C ATOM 1437 C ILE A 98 10.045 -1.597 1.572 1.00 0.00 C ATOM 1438 O ILE A 98 10.775 -2.588 1.570 1.00 0.00 O ATOM 1439 CB ILE A 98 8.093 -2.586 2.773 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.606 -2.931 2.677 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.388 -1.841 4.065 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.701 -1.718 2.691 1.00 0.00 C ATOM 0 H ILE A 98 8.517 -3.224 0.073 1.00 0.00 H new ATOM 0 HA ILE A 98 8.067 -0.759 1.624 1.00 0.00 H new ATOM 0 HB ILE A 98 8.663 -3.515 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.431 -3.494 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.338 -3.583 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.076 -2.448 4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.458 -1.643 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.843 -0.897 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.662 -2.039 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.848 -1.165 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.941 -1.075 1.844 1.00 0.00 H new ATOM 1454 N SER A 99 10.511 -0.353 1.587 1.00 0.00 N ATOM 1455 CA SER A 99 11.944 -0.075 1.602 1.00 0.00 C ATOM 1456 C SER A 99 12.268 1.048 2.581 1.00 0.00 C ATOM 1457 O SER A 99 11.375 1.609 3.216 1.00 0.00 O ATOM 1458 CB SER A 99 12.426 0.301 0.200 1.00 0.00 C ATOM 1459 OG SER A 99 12.134 -0.727 -0.732 1.00 0.00 O ATOM 0 H SER A 99 9.919 0.478 1.589 1.00 0.00 H new ATOM 0 HA SER A 99 12.461 -0.978 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.949 1.229 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.500 0.485 0.218 1.00 0.00 H new ATOM 0 HG SER A 99 12.450 -0.462 -1.621 1.00 0.00 H new ATOM 1465 N HIS A 100 13.552 1.372 2.697 1.00 0.00 N ATOM 1466 CA HIS A 100 13.993 2.429 3.599 1.00 0.00 C ATOM 1467 C HIS A 100 14.142 3.752 2.854 1.00 0.00 C ATOM 1468 O HIS A 100 14.721 3.802 1.769 1.00 0.00 O ATOM 1469 CB HIS A 100 15.322 2.048 4.255 1.00 0.00 C ATOM 1470 CG HIS A 100 15.196 0.953 5.268 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.237 -0.389 4.959 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.027 1.022 6.613 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.094 -1.078 6.099 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.963 -0.268 7.133 1.00 0.00 N ATOM 0 H HIS A 100 14.304 0.918 2.178 1.00 0.00 H new ATOM 0 HA HIS A 100 13.236 2.551 4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.024 1.737 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.747 2.929 4.735 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.954 1.933 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.087 -2.156 6.164 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.840 -0.532 8.110 1.00 0.00 H new ATOM 1482 N ILE A 101 13.613 4.819 3.443 1.00 0.00 N ATOM 1483 CA ILE A 101 13.687 6.142 2.833 1.00 0.00 C ATOM 1484 C ILE A 101 15.122 6.666 2.831 1.00 0.00 C ATOM 1485 O ILE A 101 15.822 6.583 3.839 1.00 0.00 O ATOM 1486 CB ILE A 101 12.785 7.151 3.570 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.375 6.583 3.736 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.745 8.473 2.817 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.425 7.522 4.449 1.00 0.00 C ATOM 0 H ILE A 101 13.129 4.794 4.341 1.00 0.00 H new ATOM 0 HA ILE A 101 13.339 6.038 1.805 1.00 0.00 H new ATOM 0 HB ILE A 101 13.201 7.332 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.969 6.346 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.432 5.647 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.104 9.176 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.753 8.882 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.349 8.309 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.444 7.054 4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.808 7.739 5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.338 8.450 3.884 1.00 0.00 H new ATOM 1501 N PRO A 102 15.583 7.217 1.692 1.00 0.00 N ATOM 1502 CA PRO A 102 16.943 7.755 1.574 1.00 0.00 C ATOM 1503 C PRO A 102 17.266 8.760 2.674 1.00 0.00 C ATOM 1504 O PRO A 102 16.371 9.397 3.227 1.00 0.00 O ATOM 1505 CB PRO A 102 16.938 8.443 0.206 1.00 0.00 C ATOM 1506 CG PRO A 102 15.872 7.747 -0.566 1.00 0.00 C ATOM 1507 CD PRO A 102 14.821 7.362 0.438 1.00 0.00 C ATOM 0 HA PRO A 102 17.698 6.975 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.727 9.508 0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 102 17.906 8.352 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.458 8.399 -1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.268 6.868 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.048 8.126 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.322 6.433 0.161 1.00 0.00 H new