USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=9 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 Set 1.1: A 74 ASN : amide:sc= -0.336 K(o=-0.29,f=-7!) USER MOD Set 1.2: A 76 THR OG1 : rot 79:sc= 0.048 USER MOD Single : A 33 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.29) USER MOD Single : A 42 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.607 K(o=-0.61,f=-5.5!) USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 0.763 (180deg=-0.0829) USER MOD Single : A 54 THR OG1 : rot -128:sc= 1.13 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 : amide:sc= -0.738 K(o=-0.74,f=-0.1) USER MOD Single : A 73 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.97) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 25:sc= 0.792 USER MOD Single : A 85 CYS SG : rot -109:sc= -0.419 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= -2.42 K(o=-2.4,f=-4!) USER MOD Single : A 96 GLN : amide:sc= -0.0656 K(o=-0.066,f=-1.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00044) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.962 -9.426 6.144 1.00 0.00 N ATOM 368 CA LEU A 29 9.441 -8.154 6.672 1.00 0.00 C ATOM 369 C LEU A 29 10.128 -8.348 8.021 1.00 0.00 C ATOM 370 O LEU A 29 9.665 -7.844 9.045 1.00 0.00 O ATOM 371 CB LEU A 29 8.278 -7.168 6.814 1.00 0.00 C ATOM 372 CG LEU A 29 7.797 -6.543 5.504 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.293 -6.315 5.540 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.529 -5.235 5.240 1.00 0.00 C ATOM 0 HA LEU A 29 10.169 -7.748 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.440 -7.683 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.580 -6.369 7.491 1.00 0.00 H new ATOM 0 HG LEU A 29 8.019 -7.234 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.970 -5.870 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.784 -7.268 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.046 -5.644 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.175 -4.803 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.337 -4.539 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.600 -5.425 5.170 1.00 0.00 H new ATOM 386 N PHE A 30 11.235 -9.083 8.013 1.00 0.00 N ATOM 387 CA PHE A 30 11.988 -9.344 9.234 1.00 0.00 C ATOM 388 C PHE A 30 12.899 -8.168 9.574 1.00 0.00 C ATOM 389 O PHE A 30 13.183 -7.910 10.743 1.00 0.00 O ATOM 390 CB PHE A 30 12.819 -10.620 9.083 1.00 0.00 C ATOM 391 CG PHE A 30 13.754 -10.590 7.908 1.00 0.00 C ATOM 392 CD1 PHE A 30 15.010 -10.015 8.021 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.379 -11.137 6.692 1.00 0.00 C ATOM 394 CE1 PHE A 30 15.874 -9.986 6.943 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.237 -11.111 5.610 1.00 0.00 C ATOM 396 CZ PHE A 30 15.486 -10.534 5.735 1.00 0.00 C ATOM 0 H PHE A 30 11.630 -9.508 7.175 1.00 0.00 H new ATOM 0 HA PHE A 30 11.276 -9.476 10.049 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.397 -10.778 9.993 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.147 -11.472 8.981 1.00 0.00 H new ATOM 0 HD1 PHE A 30 15.317 -9.585 8.963 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.404 -11.589 6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.851 -9.536 7.044 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.932 -11.541 4.668 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.158 -10.511 4.890 1.00 0.00 H new ATOM 406 N ASP A 31 13.352 -7.460 8.545 1.00 0.00 N ATOM 407 CA ASP A 31 14.230 -6.311 8.736 1.00 0.00 C ATOM 408 C ASP A 31 13.438 -5.009 8.703 1.00 0.00 C ATOM 409 O ASP A 31 13.918 -3.991 8.203 1.00 0.00 O ATOM 410 CB ASP A 31 15.316 -6.289 7.658 1.00 0.00 C ATOM 411 CG ASP A 31 14.741 -6.182 6.259 1.00 0.00 C ATOM 412 OD1 ASP A 31 13.702 -6.822 5.994 1.00 0.00 O ATOM 413 OD2 ASP A 31 15.329 -5.456 5.430 1.00 0.00 O ATOM 0 H ASP A 31 13.126 -7.661 7.571 1.00 0.00 H new ATOM 0 HA ASP A 31 14.700 -6.403 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.985 -5.448 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.916 -7.196 7.733 1.00 0.00 H new ATOM 418 N PHE A 32 12.223 -5.046 9.239 1.00 0.00 N ATOM 419 CA PHE A 32 11.364 -3.869 9.271 1.00 0.00 C ATOM 420 C PHE A 32 10.555 -3.820 10.563 1.00 0.00 C ATOM 421 O PHE A 32 9.660 -4.637 10.779 1.00 0.00 O ATOM 422 CB PHE A 32 10.422 -3.865 8.065 1.00 0.00 C ATOM 423 CG PHE A 32 11.084 -3.433 6.789 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.875 -4.314 6.069 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.917 -2.144 6.309 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.485 -3.918 4.894 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.525 -1.742 5.135 1.00 0.00 C ATOM 428 CZ PHE A 32 12.310 -2.630 4.426 1.00 0.00 C ATOM 0 H PHE A 32 11.811 -5.880 9.658 1.00 0.00 H new ATOM 0 HA PHE A 32 12.001 -2.985 9.229 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.012 -4.866 7.931 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.582 -3.201 8.272 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.016 -5.322 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.304 -1.445 6.859 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.098 -4.615 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.386 -0.734 4.772 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.786 -2.318 3.508 1.00 0.00 H new ATOM 438 N HIS A 33 10.877 -2.856 11.420 1.00 0.00 N ATOM 439 CA HIS A 33 10.180 -2.700 12.692 1.00 0.00 C ATOM 440 C HIS A 33 9.185 -1.546 12.628 1.00 0.00 C ATOM 441 O HIS A 33 9.259 -0.696 11.740 1.00 0.00 O ATOM 442 CB HIS A 33 11.186 -2.465 13.821 1.00 0.00 C ATOM 443 CG HIS A 33 11.132 -3.505 14.897 1.00 0.00 C ATOM 444 ND1 HIS A 33 11.636 -3.324 16.166 1.00 0.00 N ATOM 445 CD2 HIS A 33 10.617 -4.761 14.874 1.00 0.00 C ATOM 446 CE1 HIS A 33 11.418 -4.450 16.859 1.00 0.00 C ATOM 447 NE2 HIS A 33 10.802 -5.354 16.120 1.00 0.00 N ATOM 0 H HIS A 33 11.616 -2.172 11.257 1.00 0.00 H new ATOM 0 HA HIS A 33 9.628 -3.618 12.893 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.192 -2.440 13.401 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.001 -1.486 14.263 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.140 -5.226 14.024 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.709 -4.599 17.889 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.520 -6.292 16.403 1.00 0.00 H new ATOM 455 N ILE A 34 8.253 -1.521 13.575 1.00 0.00 N ATOM 456 CA ILE A 34 7.243 -0.471 13.627 1.00 0.00 C ATOM 457 C ILE A 34 7.809 0.806 14.238 1.00 0.00 C ATOM 458 O ILE A 34 8.403 0.780 15.315 1.00 0.00 O ATOM 459 CB ILE A 34 6.013 -0.916 14.442 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.540 -2.296 13.982 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.893 0.106 14.309 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.190 -2.356 12.512 1.00 0.00 C ATOM 0 H ILE A 34 8.176 -2.216 14.317 1.00 0.00 H new ATOM 0 HA ILE A 34 6.937 -0.274 12.599 1.00 0.00 H new ATOM 0 HB ILE A 34 6.296 -0.982 15.493 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.321 -3.027 14.191 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.667 -2.586 14.567 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.031 -0.221 14.890 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.236 1.072 14.681 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.610 0.201 13.261 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.863 -3.364 12.257 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.388 -1.649 12.300 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.067 -2.098 11.918 1.00 0.00 H new ATOM 474 N GLY A 35 7.621 1.922 13.541 1.00 0.00 N ATOM 475 CA GLY A 35 8.118 3.195 14.031 1.00 0.00 C ATOM 476 C GLY A 35 9.121 3.828 13.087 1.00 0.00 C ATOM 477 O GLY A 35 9.252 5.051 13.038 1.00 0.00 O ATOM 0 H GLY A 35 7.134 1.968 12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.280 3.877 14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.583 3.049 15.006 1.00 0.00 H new ATOM 481 N ASP A 36 9.832 2.993 12.335 1.00 0.00 N ATOM 482 CA ASP A 36 10.830 3.479 11.388 1.00 0.00 C ATOM 483 C ASP A 36 10.171 3.927 10.087 1.00 0.00 C ATOM 484 O ASP A 36 9.046 3.532 9.781 1.00 0.00 O ATOM 485 CB ASP A 36 11.865 2.389 11.102 1.00 0.00 C ATOM 486 CG ASP A 36 13.105 2.530 11.963 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.779 3.577 11.864 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.403 1.595 12.734 1.00 0.00 O ATOM 0 H ASP A 36 9.736 1.978 12.363 1.00 0.00 H new ATOM 0 HA ASP A 36 11.332 4.338 11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.416 1.411 11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.149 2.429 10.051 1.00 0.00 H new ATOM 493 N ARG A 37 10.881 4.752 9.325 1.00 0.00 N ATOM 494 CA ARG A 37 10.365 5.252 8.055 1.00 0.00 C ATOM 495 C ARG A 37 10.512 4.204 6.957 1.00 0.00 C ATOM 496 O ARG A 37 11.350 3.307 7.050 1.00 0.00 O ATOM 497 CB ARG A 37 11.098 6.534 7.655 1.00 0.00 C ATOM 498 CG ARG A 37 10.463 7.797 8.214 1.00 0.00 C ATOM 499 CD ARG A 37 11.515 8.819 8.619 1.00 0.00 C ATOM 500 NE ARG A 37 11.642 9.893 7.637 1.00 0.00 N ATOM 501 CZ ARG A 37 10.801 10.920 7.548 1.00 0.00 C ATOM 502 NH1 ARG A 37 9.768 11.015 8.376 1.00 0.00 N ATOM 503 NH2 ARG A 37 10.991 11.855 6.627 1.00 0.00 N ATOM 0 H ARG A 37 11.814 5.088 9.564 1.00 0.00 H new ATOM 0 HA ARG A 37 9.305 5.471 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.131 6.474 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.127 6.602 6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.800 8.233 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.848 7.544 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.254 9.243 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.477 8.321 8.738 1.00 0.00 H new ATOM 0 HE ARG A 37 12.422 9.853 6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.616 10.298 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.127 11.805 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.782 11.787 5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.346 12.642 6.559 1.00 0.00 H new ATOM 517 N VAL A 38 9.691 4.323 5.920 1.00 0.00 N ATOM 518 CA VAL A 38 9.729 3.385 4.804 1.00 0.00 C ATOM 519 C VAL A 38 9.191 4.024 3.528 1.00 0.00 C ATOM 520 O VAL A 38 8.193 4.745 3.556 1.00 0.00 O ATOM 521 CB VAL A 38 8.914 2.115 5.111 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.608 1.277 6.171 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.503 2.480 5.548 1.00 0.00 C ATOM 0 H VAL A 38 8.991 5.059 5.829 1.00 0.00 H new ATOM 0 HA VAL A 38 10.774 3.112 4.657 1.00 0.00 H new ATOM 0 HB VAL A 38 8.846 1.520 4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.016 0.384 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.596 0.985 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.710 1.860 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.941 1.570 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.548 3.097 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.007 3.034 4.751 1.00 0.00 H new ATOM 533 N LEU A 39 9.857 3.754 2.411 1.00 0.00 N ATOM 534 CA LEU A 39 9.445 4.301 1.124 1.00 0.00 C ATOM 535 C LEU A 39 8.620 3.283 0.342 1.00 0.00 C ATOM 536 O LEU A 39 9.119 2.221 -0.031 1.00 0.00 O ATOM 537 CB LEU A 39 10.669 4.720 0.307 1.00 0.00 C ATOM 538 CG LEU A 39 10.435 5.880 -0.663 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.848 7.077 0.069 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.734 6.261 -1.358 1.00 0.00 C ATOM 0 H LEU A 39 10.685 3.159 2.371 1.00 0.00 H new ATOM 0 HA LEU A 39 8.826 5.179 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.468 4.997 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.021 3.858 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 39 9.721 5.559 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.688 7.892 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.897 6.796 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.538 7.401 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.550 7.087 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.470 6.564 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.114 5.404 -1.915 1.00 0.00 H new ATOM 552 N ILE A 40 7.357 3.614 0.096 1.00 0.00 N ATOM 553 CA ILE A 40 6.465 2.728 -0.641 1.00 0.00 C ATOM 554 C ILE A 40 6.754 2.777 -2.137 1.00 0.00 C ATOM 555 O ILE A 40 6.458 3.768 -2.805 1.00 0.00 O ATOM 556 CB ILE A 40 4.987 3.089 -0.403 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.714 3.251 1.094 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.078 2.028 -1.002 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.282 3.625 1.410 1.00 0.00 C ATOM 0 H ILE A 40 6.928 4.489 0.396 1.00 0.00 H new ATOM 0 HA ILE A 40 6.647 1.719 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 40 4.776 4.038 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.958 2.318 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.378 4.016 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.037 2.299 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.257 1.959 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.287 1.065 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.161 3.723 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.039 4.573 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.613 2.849 1.039 1.00 0.00 H new ATOM 571 N GLY A 41 7.335 1.702 -2.657 1.00 0.00 N ATOM 572 CA GLY A 41 7.656 1.641 -4.072 1.00 0.00 C ATOM 573 C GLY A 41 8.692 2.671 -4.479 1.00 0.00 C ATOM 574 O GLY A 41 8.782 3.040 -5.650 1.00 0.00 O ATOM 0 H GLY A 41 7.590 0.871 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.025 0.644 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.747 1.795 -4.654 1.00 0.00 H new ATOM 578 N ASN A 42 9.479 3.137 -3.512 1.00 0.00 N ATOM 579 CA ASN A 42 10.514 4.129 -3.778 1.00 0.00 C ATOM 580 C ASN A 42 9.918 5.380 -4.420 1.00 0.00 C ATOM 581 O ASN A 42 10.406 5.860 -5.444 1.00 0.00 O ATOM 582 CB ASN A 42 11.593 3.537 -4.688 1.00 0.00 C ATOM 583 CG ASN A 42 12.704 2.865 -3.904 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.885 3.043 -4.201 1.00 0.00 O ATOM 585 ND2 ASN A 42 12.329 2.084 -2.897 1.00 0.00 N ATOM 0 H ASN A 42 9.418 2.842 -2.537 1.00 0.00 H new ATOM 0 HA ASN A 42 10.965 4.412 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.138 2.812 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.016 4.328 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.032 1.604 -2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.338 1.965 -2.686 1.00 0.00 H new ATOM 592 N VAL A 43 8.861 5.905 -3.809 1.00 0.00 N ATOM 593 CA VAL A 43 8.199 7.099 -4.320 1.00 0.00 C ATOM 594 C VAL A 43 7.289 7.719 -3.263 1.00 0.00 C ATOM 595 O VAL A 43 7.273 8.937 -3.079 1.00 0.00 O ATOM 596 CB VAL A 43 7.368 6.784 -5.581 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.275 5.774 -5.265 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.775 8.058 -6.165 1.00 0.00 C ATOM 0 H VAL A 43 8.445 5.522 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 43 8.983 7.810 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 43 8.030 6.345 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.700 5.565 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.727 4.851 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.614 6.181 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.193 7.814 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.128 8.531 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.579 8.743 -6.435 1.00 0.00 H new ATOM 608 N GLN A 44 6.532 6.873 -2.572 1.00 0.00 N ATOM 609 CA GLN A 44 5.618 7.337 -1.534 1.00 0.00 C ATOM 610 C GLN A 44 6.229 7.152 -0.146 1.00 0.00 C ATOM 611 O GLN A 44 6.207 6.051 0.405 1.00 0.00 O ATOM 612 CB GLN A 44 4.290 6.583 -1.625 1.00 0.00 C ATOM 613 CG GLN A 44 3.240 7.299 -2.459 1.00 0.00 C ATOM 614 CD GLN A 44 1.827 6.994 -2.001 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.620 6.340 -0.979 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.844 7.468 -2.758 1.00 0.00 N ATOM 0 H GLN A 44 6.533 5.863 -2.712 1.00 0.00 H new ATOM 0 HA GLN A 44 5.437 8.400 -1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.470 5.596 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.900 6.429 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.411 8.374 -2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.350 7.008 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.061 8.006 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.127 7.294 -2.500 1.00 0.00 H new ATOM 625 N PRO A 45 6.781 8.229 0.443 1.00 0.00 N ATOM 626 CA PRO A 45 7.395 8.171 1.773 1.00 0.00 C ATOM 627 C PRO A 45 6.359 8.013 2.881 1.00 0.00 C ATOM 628 O PRO A 45 5.240 8.519 2.775 1.00 0.00 O ATOM 629 CB PRO A 45 8.107 9.519 1.894 1.00 0.00 C ATOM 630 CG PRO A 45 7.337 10.432 1.002 1.00 0.00 C ATOM 631 CD PRO A 45 6.852 9.583 -0.141 1.00 0.00 C ATOM 0 HA PRO A 45 8.059 7.313 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.106 9.877 2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.149 9.446 1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.500 10.884 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.965 11.248 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.879 9.915 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.537 9.620 -0.988 1.00 0.00 H new ATOM 639 N GLY A 46 6.738 7.311 3.942 1.00 0.00 N ATOM 640 CA GLY A 46 5.830 7.100 5.055 1.00 0.00 C ATOM 641 C GLY A 46 6.504 6.429 6.235 1.00 0.00 C ATOM 642 O GLY A 46 7.730 6.321 6.279 1.00 0.00 O ATOM 0 H GLY A 46 7.658 6.884 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.420 8.059 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.991 6.488 4.724 1.00 0.00 H new ATOM 646 N ILE A 47 5.703 5.976 7.194 1.00 0.00 N ATOM 647 CA ILE A 47 6.230 5.312 8.380 1.00 0.00 C ATOM 648 C ILE A 47 5.564 3.956 8.592 1.00 0.00 C ATOM 649 O ILE A 47 4.351 3.818 8.439 1.00 0.00 O ATOM 650 CB ILE A 47 6.030 6.172 9.642 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.510 7.602 9.393 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.766 5.558 10.823 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.993 8.599 10.408 1.00 0.00 C ATOM 0 H ILE A 47 4.686 6.057 7.173 1.00 0.00 H new ATOM 0 HA ILE A 47 7.298 5.168 8.213 1.00 0.00 H new ATOM 0 HB ILE A 47 4.966 6.203 9.878 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.600 7.618 9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.196 7.914 8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.615 6.177 11.707 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.380 4.556 11.011 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.831 5.500 10.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.374 9.592 10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.903 8.612 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.329 8.312 11.404 1.00 0.00 H new ATOM 665 N LEU A 48 6.368 2.958 8.944 1.00 0.00 N ATOM 666 CA LEU A 48 5.858 1.611 9.177 1.00 0.00 C ATOM 667 C LEU A 48 5.049 1.552 10.468 1.00 0.00 C ATOM 668 O LEU A 48 5.595 1.699 11.562 1.00 0.00 O ATOM 669 CB LEU A 48 7.012 0.610 9.236 1.00 0.00 C ATOM 670 CG LEU A 48 6.592 -0.860 9.288 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.707 -1.205 8.100 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.817 -1.763 9.323 1.00 0.00 C ATOM 0 H LEU A 48 7.375 3.056 9.074 1.00 0.00 H new ATOM 0 HA LEU A 48 5.202 1.348 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.648 0.760 8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.619 0.830 10.114 1.00 0.00 H new ATOM 0 HG LEU A 48 6.019 -1.022 10.201 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.418 -2.255 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.813 -0.581 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.254 -1.027 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.500 -2.805 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.417 -1.598 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.413 -1.534 10.206 1.00 0.00 H new ATOM 684 N ARG A 49 3.744 1.335 10.334 1.00 0.00 N ATOM 685 CA ARG A 49 2.859 1.256 11.490 1.00 0.00 C ATOM 686 C ARG A 49 2.488 -0.193 11.792 1.00 0.00 C ATOM 687 O ARG A 49 2.341 -0.578 12.951 1.00 0.00 O ATOM 688 CB ARG A 49 1.592 2.078 11.247 1.00 0.00 C ATOM 689 CG ARG A 49 1.860 3.558 11.026 1.00 0.00 C ATOM 690 CD ARG A 49 2.379 4.225 12.289 1.00 0.00 C ATOM 691 NE ARG A 49 1.388 4.210 13.363 1.00 0.00 N ATOM 692 CZ ARG A 49 1.433 5.010 14.426 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.419 5.890 14.561 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.491 4.931 15.356 1.00 0.00 N ATOM 0 H ARG A 49 3.277 1.211 9.436 1.00 0.00 H new ATOM 0 HA ARG A 49 3.389 1.665 12.350 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.071 1.678 10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.924 1.962 12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.587 3.681 10.223 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.943 4.051 10.704 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.283 3.716 12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.657 5.255 12.067 1.00 0.00 H new ATOM 0 HE ARG A 49 0.616 3.547 13.294 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.146 5.955 13.848 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.449 6.501 15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.268 4.257 15.257 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.526 5.544 16.170 1.00 0.00 H new ATOM 708 N PHE A 50 2.338 -0.989 10.739 1.00 0.00 N ATOM 709 CA PHE A 50 1.984 -2.396 10.889 1.00 0.00 C ATOM 710 C PHE A 50 2.607 -3.232 9.775 1.00 0.00 C ATOM 711 O PHE A 50 3.024 -2.701 8.746 1.00 0.00 O ATOM 712 CB PHE A 50 0.464 -2.565 10.881 1.00 0.00 C ATOM 713 CG PHE A 50 0.016 -3.985 11.076 1.00 0.00 C ATOM 714 CD1 PHE A 50 0.096 -4.585 12.323 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.484 -4.721 10.014 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.315 -5.891 12.507 1.00 0.00 C ATOM 717 CE2 PHE A 50 -0.896 -6.028 10.190 1.00 0.00 C ATOM 718 CZ PHE A 50 -0.812 -6.614 11.438 1.00 0.00 C ATOM 0 H PHE A 50 2.456 -0.684 9.773 1.00 0.00 H new ATOM 0 HA PHE A 50 2.375 -2.745 11.845 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.034 -1.946 11.668 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.071 -2.196 9.934 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.484 -4.025 13.161 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.553 -4.267 9.036 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.248 -6.347 13.484 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.283 -6.590 9.353 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.134 -7.635 11.579 1.00 0.00 H new ATOM 728 N LYS A 51 2.667 -4.542 9.989 1.00 0.00 N ATOM 729 CA LYS A 51 3.238 -5.452 9.001 1.00 0.00 C ATOM 730 C LYS A 51 3.025 -6.905 9.414 1.00 0.00 C ATOM 731 O LYS A 51 3.578 -7.365 10.413 1.00 0.00 O ATOM 732 CB LYS A 51 4.732 -5.173 8.825 1.00 0.00 C ATOM 733 CG LYS A 51 5.483 -5.026 10.139 1.00 0.00 C ATOM 734 CD LYS A 51 6.402 -6.211 10.395 1.00 0.00 C ATOM 735 CE LYS A 51 7.254 -5.999 11.635 1.00 0.00 C ATOM 736 NZ LYS A 51 8.420 -6.923 11.672 1.00 0.00 N ATOM 0 H LYS A 51 2.328 -4.998 10.836 1.00 0.00 H new ATOM 0 HA LYS A 51 2.730 -5.285 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.179 -5.984 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.856 -4.261 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.069 -4.107 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.770 -4.935 10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.806 -7.116 10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.048 -6.365 9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.607 -4.968 11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.643 -6.149 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.542 -7.289 12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.256 -7.716 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.278 -6.411 11.385 1.00 0.00 H new ATOM 750 N GLY A 52 2.220 -7.623 8.637 1.00 0.00 N ATOM 751 CA GLY A 52 1.948 -9.016 8.938 1.00 0.00 C ATOM 752 C GLY A 52 0.669 -9.511 8.295 1.00 0.00 C ATOM 753 O GLY A 52 0.085 -8.827 7.452 1.00 0.00 O ATOM 0 H GLY A 52 1.752 -7.265 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.783 -9.628 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.881 -9.144 10.018 1.00 0.00 H new ATOM 757 N GLU A 53 0.231 -10.701 8.690 1.00 0.00 N ATOM 758 CA GLU A 53 -0.989 -11.286 8.146 1.00 0.00 C ATOM 759 C GLU A 53 -2.223 -10.569 8.681 1.00 0.00 C ATOM 760 O GLU A 53 -2.408 -10.449 9.892 1.00 0.00 O ATOM 761 CB GLU A 53 -1.061 -12.775 8.490 1.00 0.00 C ATOM 762 CG GLU A 53 0.063 -13.596 7.879 1.00 0.00 C ATOM 763 CD GLU A 53 0.646 -14.601 8.853 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.130 -15.187 9.637 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.878 -14.804 8.830 1.00 0.00 O ATOM 0 H GLU A 53 0.703 -11.280 9.385 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.966 -11.170 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.036 -12.891 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.017 -13.172 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.312 -14.122 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.852 -12.927 7.537 1.00 0.00 H new ATOM 772 N THR A 54 -3.065 -10.094 7.770 1.00 0.00 N ATOM 773 CA THR A 54 -4.284 -9.388 8.150 1.00 0.00 C ATOM 774 C THR A 54 -5.455 -10.357 8.281 1.00 0.00 C ATOM 775 O THR A 54 -5.296 -11.566 8.107 1.00 0.00 O ATOM 776 CB THR A 54 -4.614 -8.307 7.120 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.344 -8.766 5.807 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.837 -7.025 7.326 1.00 0.00 C ATOM 0 H THR A 54 -2.926 -10.185 6.764 1.00 0.00 H new ATOM 0 HA THR A 54 -4.115 -8.917 9.119 1.00 0.00 H new ATOM 0 HB THR A 54 -5.675 -8.095 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.774 -8.117 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.119 -6.301 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.062 -6.618 8.312 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.769 -7.231 7.254 1.00 0.00 H new ATOM 786 N SER A 55 -6.631 -9.819 8.588 1.00 0.00 N ATOM 787 CA SER A 55 -7.828 -10.637 8.742 1.00 0.00 C ATOM 788 C SER A 55 -8.695 -10.574 7.488 1.00 0.00 C ATOM 789 O SER A 55 -9.269 -11.579 7.067 1.00 0.00 O ATOM 790 CB SER A 55 -8.634 -10.175 9.958 1.00 0.00 C ATOM 791 OG SER A 55 -9.188 -11.280 10.651 1.00 0.00 O ATOM 0 H SER A 55 -6.780 -8.821 8.735 1.00 0.00 H new ATOM 0 HA SER A 55 -7.515 -11.670 8.894 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.991 -9.605 10.629 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.432 -9.506 9.637 1.00 0.00 H new ATOM 0 HG SER A 55 -9.697 -10.959 11.425 1.00 0.00 H new ATOM 797 N PHE A 56 -8.785 -9.388 6.896 1.00 0.00 N ATOM 798 CA PHE A 56 -9.581 -9.196 5.688 1.00 0.00 C ATOM 799 C PHE A 56 -8.947 -9.909 4.499 1.00 0.00 C ATOM 800 O PHE A 56 -9.642 -10.508 3.679 1.00 0.00 O ATOM 801 CB PHE A 56 -9.733 -7.704 5.384 1.00 0.00 C ATOM 802 CG PHE A 56 -8.423 -6.975 5.291 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.712 -6.951 4.103 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.904 -6.313 6.392 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.507 -6.280 4.014 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.699 -5.642 6.311 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.000 -5.625 5.119 1.00 0.00 C ATOM 0 H PHE A 56 -8.318 -8.546 7.232 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.568 -9.626 5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.273 -7.586 4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.342 -7.243 6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.104 -7.462 3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.448 -6.322 7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.963 -6.268 3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.304 -5.132 7.177 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.058 -5.100 5.052 1.00 0.00 H new ATOM 817 N ALA A 57 -7.622 -9.839 4.412 1.00 0.00 N ATOM 818 CA ALA A 57 -6.894 -10.478 3.323 1.00 0.00 C ATOM 819 C ALA A 57 -5.764 -11.353 3.858 1.00 0.00 C ATOM 820 O ALA A 57 -5.416 -11.283 5.037 1.00 0.00 O ATOM 821 CB ALA A 57 -6.344 -9.429 2.369 1.00 0.00 C ATOM 0 H ALA A 57 -7.032 -9.346 5.082 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.589 -11.118 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.803 -9.920 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.167 -8.848 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.667 -8.766 2.908 1.00 0.00 H new ATOM 827 N LYS A 58 -5.196 -12.176 2.983 1.00 0.00 N ATOM 828 CA LYS A 58 -4.105 -13.065 3.367 1.00 0.00 C ATOM 829 C LYS A 58 -2.757 -12.479 2.960 1.00 0.00 C ATOM 830 O LYS A 58 -2.691 -11.530 2.177 1.00 0.00 O ATOM 831 CB LYS A 58 -4.294 -14.443 2.726 1.00 0.00 C ATOM 832 CG LYS A 58 -4.447 -15.568 3.737 1.00 0.00 C ATOM 833 CD LYS A 58 -3.154 -16.352 3.898 1.00 0.00 C ATOM 834 CE LYS A 58 -3.036 -16.952 5.289 1.00 0.00 C ATOM 835 NZ LYS A 58 -2.552 -15.957 6.285 1.00 0.00 N ATOM 0 H LYS A 58 -5.473 -12.246 2.004 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.119 -13.172 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.176 -14.419 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.439 -14.656 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.746 -15.155 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.244 -16.240 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.114 -17.147 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.304 -15.696 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.007 -17.336 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.352 -17.800 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.486 -16.406 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.614 -15.609 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.218 -15.159 6.331 1.00 0.00 H new ATOM 849 N GLY A 59 -1.683 -13.050 3.496 1.00 0.00 N ATOM 850 CA GLY A 59 -0.351 -12.572 3.177 1.00 0.00 C ATOM 851 C GLY A 59 0.071 -11.403 4.046 1.00 0.00 C ATOM 852 O GLY A 59 -0.711 -10.915 4.862 1.00 0.00 O ATOM 0 H GLY A 59 -1.712 -13.836 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.363 -13.387 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.317 -12.272 2.130 1.00 0.00 H new ATOM 856 N PHE A 60 1.310 -10.956 3.873 1.00 0.00 N ATOM 857 CA PHE A 60 1.835 -9.839 4.649 1.00 0.00 C ATOM 858 C PHE A 60 1.304 -8.511 4.118 1.00 0.00 C ATOM 859 O PHE A 60 1.227 -8.300 2.907 1.00 0.00 O ATOM 860 CB PHE A 60 3.365 -9.842 4.614 1.00 0.00 C ATOM 861 CG PHE A 60 3.991 -10.450 5.836 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.950 -11.820 6.043 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.623 -9.652 6.777 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.526 -12.382 7.167 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.200 -10.208 7.902 1.00 0.00 C ATOM 866 CZ PHE A 60 5.152 -11.575 8.097 1.00 0.00 C ATOM 0 H PHE A 60 1.969 -11.350 3.202 1.00 0.00 H new ATOM 0 HA PHE A 60 1.502 -9.956 5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.699 -10.390 3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.720 -8.817 4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.463 -12.455 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.665 -8.583 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.487 -13.451 7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.688 -9.575 8.628 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.603 -12.012 8.975 1.00 0.00 H new ATOM 876 N TRP A 61 0.937 -7.619 5.032 1.00 0.00 N ATOM 877 CA TRP A 61 0.413 -6.311 4.658 1.00 0.00 C ATOM 878 C TRP A 61 0.990 -5.218 5.549 1.00 0.00 C ATOM 879 O TRP A 61 0.600 -5.079 6.709 1.00 0.00 O ATOM 880 CB TRP A 61 -1.114 -6.305 4.747 1.00 0.00 C ATOM 881 CG TRP A 61 -1.776 -7.084 3.651 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.335 -8.326 3.751 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.946 -6.675 2.290 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.844 -8.713 2.534 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.616 -7.717 1.621 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.597 -5.528 1.570 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.944 -7.644 0.269 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.923 -5.458 0.229 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.590 -6.510 -0.409 1.00 0.00 C ATOM 0 H TRP A 61 0.993 -7.778 6.038 1.00 0.00 H new ATOM 0 HA TRP A 61 0.711 -6.110 3.629 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.416 -6.717 5.710 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.469 -5.275 4.716 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.372 -8.918 4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.315 -9.597 2.342 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.082 -4.711 2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.459 -8.454 -0.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.659 -4.577 -0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.830 -6.425 -1.458 1.00 0.00 H new ATOM 900 N ALA A 62 1.922 -4.445 5.003 1.00 0.00 N ATOM 901 CA ALA A 62 2.554 -3.365 5.750 1.00 0.00 C ATOM 902 C ALA A 62 1.714 -2.093 5.693 1.00 0.00 C ATOM 903 O ALA A 62 1.419 -1.579 4.614 1.00 0.00 O ATOM 904 CB ALA A 62 3.953 -3.100 5.212 1.00 0.00 C ATOM 0 H ALA A 62 2.257 -4.547 4.045 1.00 0.00 H new ATOM 0 HA ALA A 62 2.629 -3.673 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.414 -2.291 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.557 -4.002 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.891 -2.817 4.161 1.00 0.00 H new ATOM 910 N GLY A 63 1.333 -1.590 6.863 1.00 0.00 N ATOM 911 CA GLY A 63 0.531 -0.382 6.925 1.00 0.00 C ATOM 912 C GLY A 63 1.376 0.865 7.098 1.00 0.00 C ATOM 913 O GLY A 63 1.607 1.315 8.220 1.00 0.00 O ATOM 0 H GLY A 63 1.565 -1.997 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.059 -0.294 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.173 -0.459 7.754 1.00 0.00 H new ATOM 917 N VAL A 64 1.839 1.422 5.984 1.00 0.00 N ATOM 918 CA VAL A 64 2.664 2.622 6.016 1.00 0.00 C ATOM 919 C VAL A 64 1.811 3.872 6.211 1.00 0.00 C ATOM 920 O VAL A 64 0.720 3.984 5.652 1.00 0.00 O ATOM 921 CB VAL A 64 3.485 2.774 4.722 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.485 3.913 4.853 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.193 1.471 4.383 1.00 0.00 C ATOM 0 H VAL A 64 1.656 1.061 5.048 1.00 0.00 H new ATOM 0 HA VAL A 64 3.345 2.514 6.860 1.00 0.00 H new ATOM 0 HB VAL A 64 2.802 3.013 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.055 4.004 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.952 4.845 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.165 3.707 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.768 1.597 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.864 1.199 5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.455 0.682 4.242 1.00 0.00 H new ATOM 933 N GLU A 65 2.318 4.808 7.007 1.00 0.00 N ATOM 934 CA GLU A 65 1.603 6.050 7.275 1.00 0.00 C ATOM 935 C GLU A 65 2.216 7.209 6.494 1.00 0.00 C ATOM 936 O GLU A 65 3.236 7.770 6.894 1.00 0.00 O ATOM 937 CB GLU A 65 1.626 6.363 8.772 1.00 0.00 C ATOM 938 CG GLU A 65 0.618 7.422 9.188 1.00 0.00 C ATOM 939 CD GLU A 65 0.860 7.937 10.594 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.467 7.200 11.400 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.442 9.077 10.889 1.00 0.00 O ATOM 0 H GLU A 65 3.220 4.730 7.477 1.00 0.00 H new ATOM 0 HA GLU A 65 0.570 5.922 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.429 5.447 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.626 6.696 9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.662 8.256 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.387 7.006 9.125 1.00 0.00 H new ATOM 948 N LEU A 66 1.587 7.559 5.377 1.00 0.00 N ATOM 949 CA LEU A 66 2.071 8.650 4.539 1.00 0.00 C ATOM 950 C LEU A 66 2.050 9.972 5.299 1.00 0.00 C ATOM 951 O LEU A 66 1.257 10.156 6.222 1.00 0.00 O ATOM 952 CB LEU A 66 1.221 8.762 3.272 1.00 0.00 C ATOM 953 CG LEU A 66 1.077 7.464 2.474 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.129 7.661 1.302 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.436 6.986 1.989 1.00 0.00 C ATOM 0 H LEU A 66 0.742 7.104 5.031 1.00 0.00 H new ATOM 0 HA LEU A 66 3.101 8.431 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.227 9.113 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.658 9.522 2.625 1.00 0.00 H new ATOM 0 HG LEU A 66 0.657 6.700 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.039 6.728 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.852 7.958 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.519 8.438 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.316 6.062 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.883 7.748 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.085 6.805 2.846 1.00 0.00 H new ATOM 967 N ASP A 67 2.928 10.889 4.906 1.00 0.00 N ATOM 968 CA ASP A 67 3.012 12.194 5.551 1.00 0.00 C ATOM 969 C ASP A 67 1.884 13.109 5.084 1.00 0.00 C ATOM 970 O ASP A 67 1.388 13.937 5.847 1.00 0.00 O ATOM 971 CB ASP A 67 4.366 12.845 5.259 1.00 0.00 C ATOM 972 CG ASP A 67 5.529 12.002 5.747 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.377 10.764 5.818 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.590 12.581 6.058 1.00 0.00 O ATOM 0 H ASP A 67 3.592 10.752 4.144 1.00 0.00 H new ATOM 0 HA ASP A 67 2.912 12.045 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.464 13.008 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.406 13.825 5.735 1.00 0.00 H new ATOM 979 N LYS A 68 1.485 12.954 3.826 1.00 0.00 N ATOM 980 CA LYS A 68 0.416 13.769 3.258 1.00 0.00 C ATOM 981 C LYS A 68 -0.784 12.905 2.876 1.00 0.00 C ATOM 982 O LYS A 68 -0.636 11.718 2.587 1.00 0.00 O ATOM 983 CB LYS A 68 0.922 14.530 2.030 1.00 0.00 C ATOM 984 CG LYS A 68 1.847 15.687 2.371 1.00 0.00 C ATOM 985 CD LYS A 68 1.088 16.833 3.023 1.00 0.00 C ATOM 986 CE LYS A 68 0.219 17.572 2.018 1.00 0.00 C ATOM 987 NZ LYS A 68 0.699 18.963 1.787 1.00 0.00 N ATOM 0 H LYS A 68 1.885 12.273 3.181 1.00 0.00 H new ATOM 0 HA LYS A 68 0.099 14.486 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.448 13.836 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.067 14.911 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.633 15.341 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.337 16.042 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.464 16.445 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.795 17.529 3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.213 17.028 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.810 17.598 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.080 19.433 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.680 19.490 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.672 18.938 1.420 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.994 13.493 2.871 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.223 12.770 2.522 1.00 0.00 C ATOM 1003 C PRO A 69 -3.159 12.160 1.126 1.00 0.00 C ATOM 1004 O PRO A 69 -3.641 12.746 0.158 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.310 13.850 2.583 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.742 14.921 3.449 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.260 14.903 3.204 1.00 0.00 C ATOM 0 HA PRO A 69 -3.402 11.931 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.545 14.230 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.236 13.455 3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.168 15.893 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.967 14.735 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.978 15.570 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.702 15.222 4.084 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.559 10.978 1.029 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.430 10.288 -0.250 1.00 0.00 C ATOM 1017 C GLU A 70 -3.097 8.916 -0.200 1.00 0.00 C ATOM 1018 O GLU A 70 -3.707 8.477 -1.175 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.955 10.139 -0.626 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.418 11.298 -1.450 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.838 11.224 -2.905 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -2.055 11.306 -3.176 1.00 0.00 O ATOM 1023 OE2 GLU A 70 0.049 11.083 -3.773 1.00 0.00 O ATOM 0 H GLU A 70 -2.154 10.478 1.821 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.932 10.887 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.364 10.047 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.823 9.214 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.769 12.237 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.670 11.308 -1.390 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.976 8.243 0.941 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.572 6.929 1.092 1.00 0.00 C ATOM 1032 C GLY A 71 -5.085 6.964 1.006 1.00 0.00 C ATOM 1033 O GLY A 71 -5.667 7.973 0.608 1.00 0.00 O ATOM 0 H GLY A 71 -2.476 8.584 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.183 6.266 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.276 6.507 2.052 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.724 5.860 1.381 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.178 5.768 1.344 1.00 0.00 C ATOM 1039 C ASN A 72 -7.704 4.989 2.543 1.00 0.00 C ATOM 1040 O ASN A 72 -8.731 4.314 2.456 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.635 5.101 0.046 1.00 0.00 C ATOM 1042 CG ASN A 72 -7.063 3.706 -0.119 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.781 2.711 -0.016 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.763 3.626 -0.377 1.00 0.00 N ATOM 0 H ASN A 72 -5.257 5.017 1.714 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.582 6.779 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.724 5.049 0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.334 5.717 -0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.322 2.714 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.205 4.476 -0.454 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.996 5.085 3.663 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.392 4.390 4.882 1.00 0.00 C ATOM 1053 C ASN A 73 -6.977 5.179 6.118 1.00 0.00 C ATOM 1054 O ASN A 73 -6.307 6.206 6.014 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.770 2.992 4.921 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.176 2.144 3.731 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.349 1.809 3.564 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.204 1.793 2.897 1.00 0.00 N ATOM 0 H ASN A 73 -6.144 5.638 3.752 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.478 4.297 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.684 3.081 4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.070 2.490 5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.416 1.223 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.246 2.094 3.075 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.378 4.691 7.288 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.046 5.352 8.545 1.00 0.00 C ATOM 1067 C ASN A 74 -6.615 4.337 9.598 1.00 0.00 C ATOM 1068 O ASN A 74 -6.789 4.558 10.797 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.244 6.156 9.054 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.451 5.280 9.332 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.352 4.053 9.342 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.598 5.909 9.561 1.00 0.00 N ATOM 0 H ASN A 74 -7.933 3.841 7.392 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.213 6.031 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.963 6.684 9.966 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.510 6.913 8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.444 5.373 9.755 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.633 6.928 9.543 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.051 3.222 9.143 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.604 2.191 10.060 1.00 0.00 C ATOM 1081 C GLY A 75 -6.632 1.092 10.249 1.00 0.00 C ATOM 1082 O GLY A 75 -6.282 -0.051 10.539 1.00 0.00 O ATOM 0 H GLY A 75 -5.896 3.015 8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.677 1.756 9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.378 2.642 11.026 1.00 0.00 H new ATOM 1086 N THR A 76 -7.905 1.440 10.083 1.00 0.00 N ATOM 1087 CA THR A 76 -8.985 0.475 10.237 1.00 0.00 C ATOM 1088 C THR A 76 -9.396 -0.105 8.887 1.00 0.00 C ATOM 1089 O THR A 76 -10.121 0.532 8.121 1.00 0.00 O ATOM 1090 CB THR A 76 -10.191 1.131 10.911 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.773 2.133 11.820 1.00 0.00 O ATOM 1092 CG2 THR A 76 -11.057 0.151 11.674 1.00 0.00 C ATOM 0 H THR A 76 -8.212 2.382 9.842 1.00 0.00 H new ATOM 0 HA THR A 76 -8.623 -0.338 10.866 1.00 0.00 H new ATOM 0 HB THR A 76 -10.781 1.556 10.099 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.542 2.947 11.326 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.894 0.682 12.127 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.436 -0.608 10.990 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.465 -0.327 12.454 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.929 -1.316 8.602 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.248 -1.982 7.345 1.00 0.00 C ATOM 1102 C TYR A 77 -10.499 -2.842 7.489 1.00 0.00 C ATOM 1103 O TYR A 77 -10.463 -3.908 8.103 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.071 -2.845 6.887 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.040 -3.085 5.395 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.097 -3.719 4.752 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -6.955 -2.679 4.628 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.073 -3.941 3.389 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -6.924 -2.898 3.263 1.00 0.00 C ATOM 1110 CZ TYR A 77 -7.985 -3.529 2.649 1.00 0.00 C ATOM 1111 OH TYR A 77 -7.958 -3.749 1.291 1.00 0.00 O ATOM 0 H TYR A 77 -8.328 -1.856 9.225 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.440 -1.215 6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.140 -2.365 7.189 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.115 -3.806 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.951 -4.043 5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.122 -2.184 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.903 -4.435 2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.073 -2.576 2.681 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.122 -3.397 0.919 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.604 -2.372 6.919 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.867 -3.098 6.983 1.00 0.00 C ATOM 1123 C ASP A 78 -13.335 -3.250 8.428 1.00 0.00 C ATOM 1124 O ASP A 78 -14.006 -4.221 8.775 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.722 -4.477 6.336 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.000 -4.447 4.846 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -13.862 -3.652 4.417 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -12.355 -5.221 4.107 1.00 0.00 O ATOM 0 H ASP A 78 -11.650 -1.491 6.407 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.614 -2.524 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.713 -4.852 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.407 -5.175 6.817 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.976 -2.282 9.266 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.369 -2.326 10.662 1.00 0.00 C ATOM 1135 C GLY A 79 -12.235 -2.756 11.572 1.00 0.00 C ATOM 1136 O GLY A 79 -12.183 -2.363 12.737 1.00 0.00 O ATOM 0 H GLY A 79 -12.420 -1.468 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.722 -1.341 10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.205 -3.015 10.779 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.327 -3.568 11.041 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.191 -4.052 11.815 1.00 0.00 C ATOM 1142 C ILE A 80 -9.134 -2.965 11.982 1.00 0.00 C ATOM 1143 O ILE A 80 -8.492 -2.555 11.015 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.543 -5.284 11.154 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.613 -6.310 10.776 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.511 -5.903 12.084 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.449 -6.770 11.950 1.00 0.00 C ATOM 0 H ILE A 80 -11.356 -3.904 10.078 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.576 -4.335 12.795 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.036 -4.965 10.243 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.269 -5.878 10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.131 -7.176 10.322 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.062 -6.772 11.603 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.735 -5.170 12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.995 -6.211 13.011 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.187 -7.496 11.609 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.804 -7.232 12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.960 -5.914 12.391 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.958 -2.504 13.216 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.979 -1.465 13.511 1.00 0.00 C ATOM 1161 C ALA A 81 -6.595 -2.062 13.739 1.00 0.00 C ATOM 1162 O ALA A 81 -6.394 -2.855 14.658 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.415 -0.660 14.727 1.00 0.00 C ATOM 0 H ALA A 81 -9.481 -2.834 14.027 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.921 -0.800 12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.675 0.112 14.936 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.380 -0.194 14.528 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.503 -1.321 15.589 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.643 -1.674 12.895 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.277 -2.170 13.004 1.00 0.00 C ATOM 1171 C TYR A 82 -3.361 -1.115 13.617 1.00 0.00 C ATOM 1172 O TYR A 82 -2.580 -1.407 14.523 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.749 -2.582 11.629 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.420 -3.816 11.066 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -5.604 -3.719 10.346 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -3.868 -5.076 11.255 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -6.219 -4.844 9.830 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -4.477 -6.207 10.742 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.651 -6.085 10.030 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.260 -7.207 9.518 1.00 0.00 O ATOM 0 H TYR A 82 -5.794 -1.018 12.129 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.286 -3.042 13.658 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.887 -1.754 10.933 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.676 -2.763 11.700 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.051 -2.749 10.187 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.948 -5.175 11.812 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.140 -4.752 9.273 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.035 -7.180 10.898 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.812 -6.957 8.748 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.465 0.113 13.119 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.648 1.213 13.618 1.00 0.00 C ATOM 1192 C PHE A 83 -3.458 2.503 13.693 1.00 0.00 C ATOM 1193 O PHE A 83 -4.650 2.517 13.386 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.426 1.417 12.720 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.753 1.426 11.254 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.834 0.240 10.541 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.978 2.620 10.588 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.135 0.246 9.192 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.279 2.632 9.239 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.357 1.444 8.541 1.00 0.00 C ATOM 0 H PHE A 83 -4.107 0.371 12.370 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.314 0.956 14.623 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.946 2.360 12.983 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.704 0.625 12.918 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.660 -0.699 11.045 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.917 3.553 11.129 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.197 -0.685 8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.453 3.570 8.732 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.591 1.451 7.487 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.804 3.584 14.104 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.464 4.879 14.221 1.00 0.00 C ATOM 1212 C GLU A 84 -2.896 5.873 13.213 1.00 0.00 C ATOM 1213 O GLU A 84 -1.692 5.896 12.961 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.308 5.428 15.640 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.011 6.758 15.858 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.166 7.742 16.644 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.844 7.446 17.813 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -2.828 8.809 16.090 1.00 0.00 O ATOM 0 H GLU A 84 -1.817 3.589 14.362 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.524 4.739 14.008 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.701 4.698 16.348 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.247 5.547 15.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.265 7.193 14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.949 6.587 16.386 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.772 6.694 12.641 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.357 7.691 11.661 1.00 0.00 C ATOM 1227 C CYS A 85 -4.540 8.548 11.223 1.00 0.00 C ATOM 1228 O CYS A 85 -5.654 8.388 11.723 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.728 7.011 10.444 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.744 5.699 9.725 1.00 0.00 S ATOM 0 H CYS A 85 -4.773 6.688 12.839 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.616 8.338 12.130 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.533 7.764 9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.764 6.592 10.733 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.201 4.544 9.973 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.291 9.459 10.289 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.335 10.342 9.783 1.00 0.00 C ATOM 1238 C LYS A 86 -6.471 9.540 9.156 1.00 0.00 C ATOM 1239 O LYS A 86 -6.539 8.319 9.306 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.753 11.320 8.759 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.928 12.781 9.144 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.645 13.366 9.710 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.604 14.878 9.550 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.210 15.385 9.421 1.00 0.00 N ATOM 0 H LYS A 86 -3.374 9.605 9.867 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.738 10.907 10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.691 11.111 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.229 11.148 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.236 13.354 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.726 12.871 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.561 13.108 10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.787 12.922 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.178 15.166 8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.083 15.347 10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.225 16.419 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.669 15.133 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.761 14.957 8.586 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.363 10.233 8.454 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.496 9.584 7.805 1.00 0.00 C ATOM 1260 C GLU A 87 -8.063 8.889 6.518 1.00 0.00 C ATOM 1261 O GLU A 87 -8.568 7.818 6.179 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.591 10.609 7.502 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.997 10.093 7.764 1.00 0.00 C ATOM 1264 CD GLU A 87 -12.031 10.735 6.861 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.867 11.926 6.522 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -13.005 10.046 6.491 1.00 0.00 O ATOM 0 H GLU A 87 -7.323 11.243 8.321 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.891 8.831 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.421 11.499 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.513 10.913 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.016 9.013 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.261 10.282 8.804 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.125 9.504 5.806 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.625 8.944 4.556 1.00 0.00 C ATOM 1275 C LYS A 88 -5.111 9.115 4.450 1.00 0.00 C ATOM 1276 O LYS A 88 -4.598 9.591 3.437 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.312 9.613 3.364 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.809 9.353 3.300 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.587 10.629 3.020 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.364 11.116 1.597 1.00 0.00 C ATOM 1281 NZ LYS A 88 -10.492 10.744 0.698 1.00 0.00 N ATOM 0 H LYS A 88 -6.696 10.390 6.073 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.853 7.878 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.140 10.688 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.850 9.258 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.019 8.620 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.145 8.921 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.650 10.451 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.282 11.404 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.244 12.199 1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.437 10.693 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.301 11.095 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.591 9.709 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.373 11.168 1.052 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.402 8.720 5.503 1.00 0.00 N ATOM 1296 CA HIS A 89 -2.947 8.829 5.529 1.00 0.00 C ATOM 1297 C HIS A 89 -2.298 7.450 5.487 1.00 0.00 C ATOM 1298 O HIS A 89 -1.241 7.268 4.881 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.494 9.583 6.780 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.333 11.056 6.566 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.196 11.760 6.896 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.195 11.963 6.042 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.398 13.044 6.571 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.596 13.220 6.048 1.00 0.00 N ATOM 0 H HIS A 89 -4.811 8.322 6.349 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.632 9.385 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.219 9.417 7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.546 9.168 7.121 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.350 11.372 7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.188 11.745 5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.674 13.832 6.718 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.937 6.480 6.135 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.406 5.130 6.158 1.00 0.00 C ATOM 1314 C GLY A 90 -2.814 4.325 4.940 1.00 0.00 C ATOM 1315 O GLY A 90 -3.949 4.422 4.476 1.00 0.00 O ATOM 0 H GLY A 90 -3.812 6.605 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.318 5.172 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.752 4.622 7.058 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.885 3.528 4.422 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.153 2.703 3.251 1.00 0.00 C ATOM 1321 C ILE A 91 -1.507 1.328 3.389 1.00 0.00 C ATOM 1322 O ILE A 91 -0.298 1.215 3.588 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.642 3.378 1.961 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.024 2.545 0.735 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.136 3.579 2.025 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.130 3.358 -0.537 1.00 0.00 C ATOM 0 H ILE A 91 -0.940 3.436 4.795 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.235 2.585 3.184 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.114 4.357 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.282 1.759 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.978 2.053 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.207 4.056 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.111 4.212 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.356 2.613 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.404 2.704 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.892 4.127 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.170 3.829 -0.749 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.322 0.284 3.281 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.832 -1.086 3.394 1.00 0.00 C ATOM 1340 C PHE A 92 -1.198 -1.547 2.085 1.00 0.00 C ATOM 1341 O PHE A 92 -1.898 -1.836 1.114 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.972 -2.028 3.781 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.476 -1.821 5.181 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.175 -0.674 5.516 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.248 -2.774 6.161 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.640 -0.479 6.804 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.710 -2.585 7.450 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.406 -1.437 7.771 1.00 0.00 C ATOM 0 H PHE A 92 -3.326 0.360 3.115 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.071 -1.109 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.798 -1.891 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.632 -3.058 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.359 0.078 4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.704 -3.674 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.185 0.420 7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.527 -3.335 8.205 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.767 -1.288 8.778 1.00 0.00 H new ATOM 1358 N ALA A 93 0.129 -1.615 2.066 1.00 0.00 N ATOM 1359 CA ALA A 93 0.855 -2.043 0.877 1.00 0.00 C ATOM 1360 C ALA A 93 1.640 -3.325 1.147 1.00 0.00 C ATOM 1361 O ALA A 93 2.192 -3.505 2.233 1.00 0.00 O ATOM 1362 CB ALA A 93 1.788 -0.940 0.402 1.00 0.00 C ATOM 0 H ALA A 93 0.723 -1.379 2.861 1.00 0.00 H new ATOM 0 HA ALA A 93 0.128 -2.250 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.324 -1.274 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.207 -0.050 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.504 -0.704 1.190 1.00 0.00 H new ATOM 1368 N PRO A 94 1.703 -4.237 0.161 1.00 0.00 N ATOM 1369 CA PRO A 94 2.429 -5.504 0.305 1.00 0.00 C ATOM 1370 C PRO A 94 3.870 -5.295 0.762 1.00 0.00 C ATOM 1371 O PRO A 94 4.407 -4.191 0.661 1.00 0.00 O ATOM 1372 CB PRO A 94 2.396 -6.099 -1.104 1.00 0.00 C ATOM 1373 CG PRO A 94 1.197 -5.491 -1.745 1.00 0.00 C ATOM 1374 CD PRO A 94 1.075 -4.108 -1.168 1.00 0.00 C ATOM 0 HA PRO A 94 1.979 -6.147 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.305 -5.859 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.320 -7.186 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.311 -5.453 -2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.303 -6.080 -1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.586 -3.369 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.034 -3.794 -1.092 1.00 0.00 H new ATOM 1382 N PRO A 95 4.519 -6.357 1.270 1.00 0.00 N ATOM 1383 CA PRO A 95 5.906 -6.283 1.742 1.00 0.00 C ATOM 1384 C PRO A 95 6.876 -5.918 0.624 1.00 0.00 C ATOM 1385 O PRO A 95 7.892 -5.265 0.859 1.00 0.00 O ATOM 1386 CB PRO A 95 6.192 -7.699 2.260 1.00 0.00 C ATOM 1387 CG PRO A 95 5.176 -8.566 1.599 1.00 0.00 C ATOM 1388 CD PRO A 95 3.956 -7.708 1.423 1.00 0.00 C ATOM 0 HA PRO A 95 6.036 -5.509 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.204 -8.014 2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.105 -7.747 3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.539 -8.931 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.953 -9.442 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.377 -8.005 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.290 -7.772 2.283 1.00 0.00 H new ATOM 1396 N GLN A 96 6.554 -6.342 -0.593 1.00 0.00 N ATOM 1397 CA GLN A 96 7.395 -6.058 -1.750 1.00 0.00 C ATOM 1398 C GLN A 96 7.461 -4.558 -2.023 1.00 0.00 C ATOM 1399 O GLN A 96 8.424 -4.067 -2.610 1.00 0.00 O ATOM 1400 CB GLN A 96 6.865 -6.790 -2.984 1.00 0.00 C ATOM 1401 CG GLN A 96 5.391 -6.538 -3.255 1.00 0.00 C ATOM 1402 CD GLN A 96 4.980 -6.937 -4.659 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.782 -6.881 -5.592 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.725 -7.342 -4.817 1.00 0.00 N ATOM 0 H GLN A 96 5.716 -6.884 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 96 8.402 -6.412 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.444 -6.482 -3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.025 -7.861 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.792 -7.094 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.173 -5.481 -3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.094 -7.373 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.392 -7.622 -5.739 1.00 0.00 H new ATOM 1413 N LYS A 97 6.430 -3.835 -1.593 1.00 0.00 N ATOM 1414 CA LYS A 97 6.374 -2.391 -1.794 1.00 0.00 C ATOM 1415 C LYS A 97 6.843 -1.646 -0.548 1.00 0.00 C ATOM 1416 O LYS A 97 6.403 -0.528 -0.280 1.00 0.00 O ATOM 1417 CB LYS A 97 4.950 -1.960 -2.152 1.00 0.00 C ATOM 1418 CG LYS A 97 4.443 -2.556 -3.455 1.00 0.00 C ATOM 1419 CD LYS A 97 4.962 -1.784 -4.658 1.00 0.00 C ATOM 1420 CE LYS A 97 3.944 -0.765 -5.147 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.916 -0.676 -6.632 1.00 0.00 N ATOM 0 H LYS A 97 5.624 -4.225 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 97 7.042 -2.140 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.278 -2.249 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.915 -0.873 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.756 -3.598 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.353 -2.550 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.889 -1.276 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.199 -2.479 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.954 -1.037 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.181 0.214 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.210 0.029 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.854 -0.392 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.665 -1.603 -7.031 1.00 0.00 H new ATOM 1435 N ILE A 98 7.740 -2.269 0.210 1.00 0.00 N ATOM 1436 CA ILE A 98 8.267 -1.661 1.425 1.00 0.00 C ATOM 1437 C ILE A 98 9.789 -1.569 1.378 1.00 0.00 C ATOM 1438 O ILE A 98 10.480 -2.585 1.296 1.00 0.00 O ATOM 1439 CB ILE A 98 7.853 -2.455 2.679 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.349 -2.731 2.662 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.243 -1.697 3.939 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.505 -1.478 2.578 1.00 0.00 C ATOM 0 H ILE A 98 8.116 -3.194 0.004 1.00 0.00 H new ATOM 0 HA ILE A 98 7.844 -0.658 1.483 1.00 0.00 H new ATOM 0 HB ILE A 98 8.379 -3.410 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.115 -3.374 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.079 -3.282 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.944 -2.271 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.323 -1.547 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.742 -0.729 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.450 -1.750 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.710 -0.843 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.747 -0.937 1.663 1.00 0.00 H new ATOM 1454 N SER A 99 10.304 -0.345 1.430 1.00 0.00 N ATOM 1455 CA SER A 99 11.744 -0.120 1.392 1.00 0.00 C ATOM 1456 C SER A 99 12.152 0.958 2.390 1.00 0.00 C ATOM 1457 O SER A 99 11.305 1.670 2.930 1.00 0.00 O ATOM 1458 CB SER A 99 12.182 0.282 -0.018 1.00 0.00 C ATOM 1459 OG SER A 99 12.141 -0.825 -0.901 1.00 0.00 O ATOM 0 H SER A 99 9.746 0.506 1.499 1.00 0.00 H new ATOM 0 HA SER A 99 12.239 -1.051 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.532 1.073 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.193 0.688 0.014 1.00 0.00 H new ATOM 0 HG SER A 99 12.424 -0.541 -1.795 1.00 0.00 H new ATOM 1465 N HIS A 100 13.453 1.074 2.630 1.00 0.00 N ATOM 1466 CA HIS A 100 13.972 2.067 3.563 1.00 0.00 C ATOM 1467 C HIS A 100 14.234 3.392 2.855 1.00 0.00 C ATOM 1468 O HIS A 100 14.903 3.434 1.823 1.00 0.00 O ATOM 1469 CB HIS A 100 15.260 1.562 4.217 1.00 0.00 C ATOM 1470 CG HIS A 100 15.024 0.584 5.326 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.265 -0.768 5.221 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.557 0.784 6.585 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.944 -1.335 6.393 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.511 -0.434 7.255 1.00 0.00 N ATOM 0 H HIS A 100 14.168 0.493 2.192 1.00 0.00 H new ATOM 0 HA HIS A 100 13.221 2.229 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.884 1.093 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.818 2.413 4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.267 1.738 7.000 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.029 -2.391 6.604 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.206 -0.597 8.214 1.00 0.00 H new ATOM 1482 N ILE A 101 13.702 4.473 3.417 1.00 0.00 N ATOM 1483 CA ILE A 101 13.878 5.799 2.837 1.00 0.00 C ATOM 1484 C ILE A 101 15.334 6.252 2.937 1.00 0.00 C ATOM 1485 O ILE A 101 15.950 6.152 3.998 1.00 0.00 O ATOM 1486 CB ILE A 101 12.979 6.840 3.532 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.532 6.345 3.582 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.062 8.179 2.812 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.582 7.317 4.248 1.00 0.00 C ATOM 0 H ILE A 101 13.146 4.456 4.272 1.00 0.00 H new ATOM 0 HA ILE A 101 13.592 5.727 1.788 1.00 0.00 H new ATOM 0 HB ILE A 101 13.332 6.977 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.188 6.152 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.500 5.395 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.421 8.903 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.092 8.535 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.732 8.058 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.575 6.900 4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.902 7.492 5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.584 8.260 3.702 1.00 0.00 H new ATOM 1501 N PRO A 102 15.909 6.758 1.829 1.00 0.00 N ATOM 1502 CA PRO A 102 17.299 7.224 1.807 1.00 0.00 C ATOM 1503 C PRO A 102 17.597 8.217 2.925 1.00 0.00 C ATOM 1504 O PRO A 102 16.743 9.024 3.294 1.00 0.00 O ATOM 1505 CB PRO A 102 17.427 7.902 0.441 1.00 0.00 C ATOM 1506 CG PRO A 102 16.391 7.247 -0.405 1.00 0.00 C ATOM 1507 CD PRO A 102 15.252 6.916 0.517 1.00 0.00 C ATOM 0 HA PRO A 102 18.003 6.406 1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.257 8.976 0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.424 7.765 0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.065 7.911 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.785 6.347 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.505 7.710 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.740 6.004 0.212 1.00 0.00 H new