USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 661 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 65 ASN : amide:sc= 0 X(o=0.031,f=0.031) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.0309 K(o=0.031,f=-0.65) USER MOD Single : A 24 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.44) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 38 THR OG1 : rot 31:sc= 0.336 USER MOD Single : A 40 THR OG1 : rot 170:sc= 0 USER MOD Single : A 41 THR OG1 : rot -150:sc= -1.45 USER MOD Single : A 43 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-6.28e-05 X(o=-6.3e-05,f=-0.12) USER MOD Single : A 81 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.2!) USER MOD Single : A 84 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ -151:sc= 0.00828 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -109:sc= -0.275 (180deg=-1.27) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.394 K(o=-0.39,f=-1) USER MOD Single : A 99 GLN :FLIP amide:sc= -3.44! C(o=-4.6!,f=-3.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.31 K(o=-1.3,f=-5.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.484 -5.562 8.691 1.00 0.00 N ATOM 326 CA ASN A 24 -4.443 -4.627 8.276 1.00 0.00 C ATOM 327 C ASN A 24 -3.565 -5.239 7.189 1.00 0.00 C ATOM 328 O ASN A 24 -2.841 -6.205 7.430 1.00 0.00 O ATOM 329 CB ASN A 24 -3.585 -4.225 9.476 1.00 0.00 C ATOM 330 CG ASN A 24 -3.007 -5.424 10.203 1.00 0.00 C ATOM 331 OD1 ASN A 24 -3.711 -6.112 10.943 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.720 -5.679 9.995 1.00 0.00 N ATOM 0 HA ASN A 24 -4.926 -3.739 7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.772 -3.582 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.188 -3.639 10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.276 -6.473 10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.176 -5.081 9.373 1.00 0.00 H new ATOM 339 N TYR A 25 -3.633 -4.669 5.992 1.00 0.00 N ATOM 340 CA TYR A 25 -2.845 -5.158 4.866 1.00 0.00 C ATOM 341 C TYR A 25 -1.558 -4.351 4.711 1.00 0.00 C ATOM 342 O TYR A 25 -0.565 -4.845 4.177 1.00 0.00 O ATOM 343 CB TYR A 25 -3.662 -5.089 3.576 1.00 0.00 C ATOM 344 CG TYR A 25 -4.116 -6.441 3.073 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.238 -7.063 3.607 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.423 -7.097 2.063 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.655 -8.297 3.151 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.833 -8.332 1.600 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.949 -8.929 2.148 1.00 0.00 C ATOM 350 OH TYR A 25 -5.363 -10.159 1.691 1.00 0.00 O ATOM 0 H TYR A 25 -4.226 -3.868 5.775 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.580 -6.197 5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.537 -4.461 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.065 -4.605 2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.793 -6.572 4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.548 -6.633 1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.530 -8.766 3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.283 -8.827 0.814 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.758 -10.466 0.983 1.00 0.00 H new ATOM 360 N ILE A 26 -1.587 -3.109 5.180 1.00 0.00 N ATOM 361 CA ILE A 26 -0.424 -2.234 5.096 1.00 0.00 C ATOM 362 C ILE A 26 -0.409 -1.226 6.239 1.00 0.00 C ATOM 363 O ILE A 26 -1.356 -0.459 6.418 1.00 0.00 O ATOM 364 CB ILE A 26 -0.388 -1.474 3.755 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.777 -0.930 3.416 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.118 -2.381 2.645 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.745 0.300 2.537 1.00 0.00 C ATOM 0 H ILE A 26 -2.403 -2.685 5.622 1.00 0.00 H new ATOM 0 HA ILE A 26 0.457 -2.872 5.168 1.00 0.00 H new ATOM 0 HB ILE A 26 0.298 -0.632 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.352 -1.710 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.301 -0.692 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.137 -1.830 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.124 -2.724 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.545 -3.241 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.764 0.631 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.198 1.095 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.250 0.062 1.596 1.00 0.00 H new ATOM 379 N HIS A 27 0.673 -1.231 7.012 1.00 0.00 N ATOM 380 CA HIS A 27 0.814 -0.316 8.138 1.00 0.00 C ATOM 381 C HIS A 27 1.489 0.981 7.703 1.00 0.00 C ATOM 382 O HIS A 27 2.453 0.962 6.937 1.00 0.00 O ATOM 383 CB HIS A 27 1.617 -0.973 9.259 1.00 0.00 C ATOM 384 CG HIS A 27 1.657 -0.165 10.521 1.00 0.00 C ATOM 385 ND1 HIS A 27 2.297 1.053 10.614 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.131 -0.408 11.744 1.00 0.00 C ATOM 387 CE1 HIS A 27 2.164 1.524 11.841 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.459 0.658 12.547 1.00 0.00 N ATOM 0 H HIS A 27 1.465 -1.859 6.878 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.183 -0.078 8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.188 -1.951 9.477 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.637 -1.142 8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.560 -1.277 12.035 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.564 2.459 12.205 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.200 0.763 13.528 1.00 0.00 H new ATOM 396 N ILE A 28 0.978 2.103 8.197 1.00 0.00 N ATOM 397 CA ILE A 28 1.532 3.408 7.860 1.00 0.00 C ATOM 398 C ILE A 28 1.724 4.264 9.108 1.00 0.00 C ATOM 399 O ILE A 28 0.757 4.756 9.689 1.00 0.00 O ATOM 400 CB ILE A 28 0.631 4.164 6.866 1.00 0.00 C ATOM 401 CG1 ILE A 28 -0.140 3.174 5.990 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.462 5.105 6.006 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.747 2.353 5.082 1.00 0.00 C ATOM 0 H ILE A 28 0.181 2.135 8.832 1.00 0.00 H new ATOM 0 HA ILE A 28 2.501 3.227 7.394 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.088 4.759 7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.711 2.502 6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.859 3.723 5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.810 5.632 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.970 5.828 6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.201 4.530 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.133 1.674 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.299 3.016 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.450 1.777 5.684 1.00 0.00 H new ATOM 415 N ARG A 29 2.977 4.439 9.512 1.00 0.00 N ATOM 416 CA ARG A 29 3.296 5.235 10.692 1.00 0.00 C ATOM 417 C ARG A 29 3.929 6.566 10.293 1.00 0.00 C ATOM 418 O ARG A 29 5.039 6.601 9.760 1.00 0.00 O ATOM 419 CB ARG A 29 4.242 4.465 11.614 1.00 0.00 C ATOM 420 CG ARG A 29 3.854 4.538 13.081 1.00 0.00 C ATOM 421 CD ARG A 29 4.924 5.236 13.906 1.00 0.00 C ATOM 422 NE ARG A 29 4.759 4.992 15.337 1.00 0.00 N ATOM 423 CZ ARG A 29 5.680 5.292 16.244 1.00 0.00 C ATOM 424 NH1 ARG A 29 6.826 5.848 15.873 1.00 0.00 N ATOM 425 NH2 ARG A 29 5.456 5.040 17.528 1.00 0.00 N ATOM 0 H ARG A 29 3.789 4.041 9.040 1.00 0.00 H new ATOM 0 HA ARG A 29 2.367 5.438 11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.267 3.420 11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.252 4.857 11.494 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.909 5.072 13.182 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.695 3.531 13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.908 4.890 13.590 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.887 6.308 13.715 1.00 0.00 H new ATOM 0 HE ARG A 29 3.888 4.568 15.656 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.001 6.046 14.888 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.532 6.077 16.573 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.575 4.615 17.818 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.165 5.271 18.224 1.00 0.00 H new ATOM 439 N ILE A 30 3.216 7.656 10.554 1.00 0.00 N ATOM 440 CA ILE A 30 3.708 8.988 10.224 1.00 0.00 C ATOM 441 C ILE A 30 4.326 9.664 11.444 1.00 0.00 C ATOM 442 O ILE A 30 3.799 9.566 12.551 1.00 0.00 O ATOM 443 CB ILE A 30 2.584 9.882 9.668 1.00 0.00 C ATOM 444 CG1 ILE A 30 1.539 10.155 10.753 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.939 9.230 8.455 1.00 0.00 C ATOM 446 CD1 ILE A 30 1.784 11.437 11.519 1.00 0.00 C ATOM 0 H ILE A 30 2.295 7.643 10.993 1.00 0.00 H new ATOM 0 HA ILE A 30 4.472 8.861 9.457 1.00 0.00 H new ATOM 0 HB ILE A 30 3.015 10.833 9.357 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.552 10.199 10.293 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.527 9.320 11.453 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.147 9.874 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.690 9.081 7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.517 8.267 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.005 11.566 12.271 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.757 11.388 12.008 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.767 12.281 10.830 1.00 0.00 H new ATOM 583 N THR A 38 10.494 15.407 6.650 1.00 0.00 N ATOM 584 CA THR A 38 9.374 14.514 6.922 1.00 0.00 C ATOM 585 C THR A 38 9.835 13.063 7.005 1.00 0.00 C ATOM 586 O THR A 38 10.734 12.644 6.277 1.00 0.00 O ATOM 587 CB THR A 38 8.285 14.634 5.840 1.00 0.00 C ATOM 588 OG1 THR A 38 8.084 16.010 5.497 1.00 0.00 O ATOM 589 CG2 THR A 38 6.974 14.030 6.322 1.00 0.00 C ATOM 0 HA THR A 38 8.956 14.815 7.883 1.00 0.00 H new ATOM 0 HB THR A 38 8.618 14.085 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.924 16.502 5.610 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.220 14.127 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.123 12.976 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.639 14.555 7.217 1.00 0.00 H new ATOM 597 N LEU A 39 9.212 12.301 7.898 1.00 0.00 N ATOM 598 CA LEU A 39 9.558 10.894 8.076 1.00 0.00 C ATOM 599 C LEU A 39 8.303 10.033 8.167 1.00 0.00 C ATOM 600 O LEU A 39 7.337 10.391 8.841 1.00 0.00 O ATOM 601 CB LEU A 39 10.407 10.714 9.336 1.00 0.00 C ATOM 602 CG LEU A 39 11.726 11.486 9.374 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.580 12.750 10.208 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.842 10.610 9.920 1.00 0.00 C ATOM 0 H LEU A 39 8.466 12.633 8.509 1.00 0.00 H new ATOM 0 HA LEU A 39 10.134 10.573 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.810 11.012 10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.627 9.653 9.453 1.00 0.00 H new ATOM 0 HG LEU A 39 11.985 11.775 8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.528 13.287 10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.810 13.387 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.297 12.483 11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.773 11.177 9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.591 10.289 10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.963 9.735 9.281 1.00 0.00 H new ATOM 616 N THR A 40 8.323 8.892 7.483 1.00 0.00 N ATOM 617 CA THR A 40 7.187 7.978 7.487 1.00 0.00 C ATOM 618 C THR A 40 7.644 6.535 7.308 1.00 0.00 C ATOM 619 O THR A 40 8.473 6.236 6.448 1.00 0.00 O ATOM 620 CB THR A 40 6.181 8.329 6.374 1.00 0.00 C ATOM 621 OG1 THR A 40 6.832 9.078 5.343 1.00 0.00 O ATOM 622 CG2 THR A 40 5.016 9.131 6.932 1.00 0.00 C ATOM 0 H THR A 40 9.114 8.579 6.919 1.00 0.00 H new ATOM 0 HA THR A 40 6.697 8.084 8.455 1.00 0.00 H new ATOM 0 HB THR A 40 5.795 7.399 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.235 9.158 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.319 9.367 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.504 8.546 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.389 10.056 7.373 1.00 0.00 H new ATOM 630 N THR A 41 7.096 5.642 8.127 1.00 0.00 N ATOM 631 CA THR A 41 7.447 4.229 8.059 1.00 0.00 C ATOM 632 C THR A 41 6.301 3.404 7.483 1.00 0.00 C ATOM 633 O THR A 41 5.154 3.850 7.457 1.00 0.00 O ATOM 634 CB THR A 41 7.816 3.674 9.449 1.00 0.00 C ATOM 635 OG1 THR A 41 6.638 3.544 10.252 1.00 0.00 O ATOM 636 CG2 THR A 41 8.814 4.585 10.147 1.00 0.00 C ATOM 0 H THR A 41 6.408 5.872 8.844 1.00 0.00 H new ATOM 0 HA THR A 41 8.313 4.150 7.402 1.00 0.00 H new ATOM 0 HB THR A 41 8.274 2.694 9.316 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.871 3.663 11.196 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.060 4.173 11.126 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.721 4.659 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.378 5.576 10.269 1.00 0.00 H new ATOM 644 N VAL A 42 6.620 2.198 7.022 1.00 0.00 N ATOM 645 CA VAL A 42 5.616 1.310 6.449 1.00 0.00 C ATOM 646 C VAL A 42 5.961 -0.152 6.708 1.00 0.00 C ATOM 647 O VAL A 42 7.130 -0.537 6.682 1.00 0.00 O ATOM 648 CB VAL A 42 5.474 1.530 4.931 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.436 0.583 4.348 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.113 2.979 4.634 1.00 0.00 C ATOM 0 H VAL A 42 7.565 1.814 7.034 1.00 0.00 H new ATOM 0 HA VAL A 42 4.670 1.548 6.935 1.00 0.00 H new ATOM 0 HB VAL A 42 6.433 1.314 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.350 0.754 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.742 -0.448 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.471 0.764 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.017 3.117 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.167 3.225 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.896 3.634 5.015 1.00 0.00 H new ATOM 660 N GLN A 43 4.937 -0.960 6.960 1.00 0.00 N ATOM 661 CA GLN A 43 5.133 -2.381 7.226 1.00 0.00 C ATOM 662 C GLN A 43 4.167 -3.226 6.402 1.00 0.00 C ATOM 663 O GLN A 43 3.189 -2.718 5.857 1.00 0.00 O ATOM 664 CB GLN A 43 4.945 -2.673 8.714 1.00 0.00 C ATOM 665 CG GLN A 43 5.524 -4.011 9.150 1.00 0.00 C ATOM 666 CD GLN A 43 4.479 -5.107 9.215 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.360 -4.887 9.680 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.837 -6.296 8.747 1.00 0.00 N ATOM 0 H GLN A 43 3.964 -0.656 6.986 1.00 0.00 H new ATOM 0 HA GLN A 43 6.151 -2.643 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.413 -1.878 9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.881 -2.654 8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.311 -4.305 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.989 -3.899 10.130 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.775 -6.435 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.174 -7.071 8.764 1.00 0.00 H new ATOM 677 N GLY A 44 4.450 -4.524 6.316 1.00 0.00 N ATOM 678 CA GLY A 44 3.598 -5.420 5.557 1.00 0.00 C ATOM 679 C GLY A 44 4.212 -5.817 4.228 1.00 0.00 C ATOM 680 O GLY A 44 3.549 -6.424 3.386 1.00 0.00 O ATOM 0 H GLY A 44 5.254 -4.969 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.403 -6.316 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.636 -4.939 5.380 1.00 0.00 H new ATOM 684 N VAL A 45 5.483 -5.474 4.039 1.00 0.00 N ATOM 685 CA VAL A 45 6.185 -5.797 2.803 1.00 0.00 C ATOM 686 C VAL A 45 6.279 -7.307 2.606 1.00 0.00 C ATOM 687 O VAL A 45 6.631 -8.056 3.517 1.00 0.00 O ATOM 688 CB VAL A 45 7.604 -5.199 2.790 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.313 -5.530 1.487 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.548 -3.694 3.011 1.00 0.00 C ATOM 0 H VAL A 45 6.047 -4.973 4.726 1.00 0.00 H new ATOM 0 HA VAL A 45 5.609 -5.361 1.987 1.00 0.00 H new ATOM 0 HB VAL A 45 8.174 -5.643 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.314 -5.099 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.385 -6.612 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.749 -5.117 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.559 -3.287 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.961 -3.231 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.084 -3.485 3.975 1.00 0.00 H new ATOM 700 N PRO A 46 5.962 -7.764 1.385 1.00 0.00 N ATOM 701 CA PRO A 46 6.005 -9.188 1.038 1.00 0.00 C ATOM 702 C PRO A 46 7.431 -9.727 0.976 1.00 0.00 C ATOM 703 O PRO A 46 8.395 -8.978 1.138 1.00 0.00 O ATOM 704 CB PRO A 46 5.356 -9.234 -0.347 1.00 0.00 C ATOM 705 CG PRO A 46 5.576 -7.875 -0.916 1.00 0.00 C ATOM 706 CD PRO A 46 5.537 -6.928 0.251 1.00 0.00 C ATOM 0 HA PRO A 46 5.500 -9.805 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.811 -10.003 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.293 -9.467 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.534 -7.818 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.805 -7.628 -1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.207 -6.081 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.538 -6.521 0.405 1.00 0.00 H new ATOM 714 N GLU A 47 7.557 -11.029 0.739 1.00 0.00 N ATOM 715 CA GLU A 47 8.866 -11.666 0.656 1.00 0.00 C ATOM 716 C GLU A 47 9.546 -11.342 -0.671 1.00 0.00 C ATOM 717 O GLU A 47 10.771 -11.271 -0.749 1.00 0.00 O ATOM 718 CB GLU A 47 8.730 -13.182 0.816 1.00 0.00 C ATOM 719 CG GLU A 47 9.939 -13.836 1.466 1.00 0.00 C ATOM 720 CD GLU A 47 9.836 -13.876 2.978 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.268 -14.854 3.507 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.324 -12.932 3.632 1.00 0.00 O ATOM 0 H GLU A 47 6.770 -11.663 0.601 1.00 0.00 H new ATOM 0 HA GLU A 47 9.484 -11.276 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.845 -13.398 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.569 -13.630 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.047 -14.852 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.839 -13.292 1.181 1.00 0.00 H new ATOM 729 N GLU A 48 8.740 -11.146 -1.710 1.00 0.00 N ATOM 730 CA GLU A 48 9.265 -10.830 -3.033 1.00 0.00 C ATOM 731 C GLU A 48 9.984 -9.484 -3.028 1.00 0.00 C ATOM 732 O GLU A 48 10.716 -9.156 -3.961 1.00 0.00 O ATOM 733 CB GLU A 48 8.134 -10.811 -4.063 1.00 0.00 C ATOM 734 CG GLU A 48 8.233 -11.919 -5.098 1.00 0.00 C ATOM 735 CD GLU A 48 7.465 -13.163 -4.697 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.298 -13.027 -4.273 1.00 0.00 O ATOM 737 OE2 GLU A 48 8.029 -14.271 -4.808 1.00 0.00 O ATOM 0 H GLU A 48 7.723 -11.200 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 48 9.983 -11.604 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.180 -10.895 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.135 -9.848 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.853 -11.554 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.281 -12.177 -5.249 1.00 0.00 H new ATOM 744 N TYR A 49 9.770 -8.711 -1.968 1.00 0.00 N ATOM 745 CA TYR A 49 10.395 -7.400 -1.842 1.00 0.00 C ATOM 746 C TYR A 49 11.149 -7.282 -0.521 1.00 0.00 C ATOM 747 O TYR A 49 10.545 -7.114 0.540 1.00 0.00 O ATOM 748 CB TYR A 49 9.339 -6.297 -1.939 1.00 0.00 C ATOM 749 CG TYR A 49 9.761 -5.130 -2.803 1.00 0.00 C ATOM 750 CD1 TYR A 49 11.091 -4.735 -2.871 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.829 -4.422 -3.551 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.481 -3.669 -3.659 1.00 0.00 C ATOM 753 CE2 TYR A 49 9.209 -3.356 -4.343 1.00 0.00 C ATOM 754 CZ TYR A 49 10.537 -2.983 -4.392 1.00 0.00 C ATOM 755 OH TYR A 49 10.921 -1.922 -5.179 1.00 0.00 O ATOM 0 H TYR A 49 9.169 -8.970 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 49 11.108 -7.285 -2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.418 -6.721 -2.340 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.112 -5.933 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.833 -5.271 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.789 -4.710 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.519 -3.375 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.472 -2.818 -4.920 1.00 0.00 H new ATOM 0 HH TYR A 49 10.136 -1.549 -5.631 1.00 0.00 H new ATOM 765 N ASP A 50 12.472 -7.371 -0.593 1.00 0.00 N ATOM 766 CA ASP A 50 13.311 -7.272 0.596 1.00 0.00 C ATOM 767 C ASP A 50 13.631 -5.815 0.916 1.00 0.00 C ATOM 768 O ASP A 50 13.363 -4.919 0.116 1.00 0.00 O ATOM 769 CB ASP A 50 14.608 -8.060 0.398 1.00 0.00 C ATOM 770 CG ASP A 50 14.676 -9.291 1.279 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.694 -9.135 2.519 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.711 -10.412 0.729 1.00 0.00 O ATOM 0 H ASP A 50 12.987 -7.512 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 50 12.761 -7.697 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.692 -8.359 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.459 -7.414 0.614 1.00 0.00 H new ATOM 777 N LEU A 51 14.204 -5.585 2.092 1.00 0.00 N ATOM 778 CA LEU A 51 14.560 -4.237 2.521 1.00 0.00 C ATOM 779 C LEU A 51 15.731 -3.697 1.706 1.00 0.00 C ATOM 780 O LEU A 51 15.952 -2.489 1.640 1.00 0.00 O ATOM 781 CB LEU A 51 14.912 -4.229 4.008 1.00 0.00 C ATOM 782 CG LEU A 51 13.744 -4.019 4.974 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.228 -2.592 4.887 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.628 -5.012 4.682 1.00 0.00 C ATOM 0 H LEU A 51 14.432 -6.315 2.766 1.00 0.00 H new ATOM 0 HA LEU A 51 13.698 -3.591 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.393 -5.176 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.647 -3.444 4.183 1.00 0.00 H new ATOM 0 HG LEU A 51 14.101 -4.191 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.398 -2.462 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.029 -1.899 5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.887 -2.390 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.805 -4.849 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.273 -4.871 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.005 -6.028 4.798 1.00 0.00 H new ATOM 796 N LYS A 52 16.479 -4.604 1.085 1.00 0.00 N ATOM 797 CA LYS A 52 17.627 -4.222 0.271 1.00 0.00 C ATOM 798 C LYS A 52 17.180 -3.735 -1.105 1.00 0.00 C ATOM 799 O LYS A 52 17.827 -2.880 -1.710 1.00 0.00 O ATOM 800 CB LYS A 52 18.587 -5.404 0.118 1.00 0.00 C ATOM 801 CG LYS A 52 19.897 -5.040 -0.558 1.00 0.00 C ATOM 802 CD LYS A 52 21.040 -4.972 0.441 1.00 0.00 C ATOM 803 CE LYS A 52 22.262 -4.288 -0.154 1.00 0.00 C ATOM 804 NZ LYS A 52 23.435 -4.356 0.758 1.00 0.00 N ATOM 0 H LYS A 52 16.310 -5.609 1.130 1.00 0.00 H new ATOM 0 HA LYS A 52 18.144 -3.406 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.799 -5.819 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.096 -6.188 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.128 -5.777 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.793 -4.078 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.716 -4.431 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.306 -5.980 0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.514 -4.758 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.027 -3.245 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.247 -3.879 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.204 -3.886 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.676 -5.351 0.940 1.00 0.00 H new ATOM 818 N ARG A 53 16.072 -4.284 -1.591 1.00 0.00 N ATOM 819 CA ARG A 53 15.540 -3.906 -2.894 1.00 0.00 C ATOM 820 C ARG A 53 14.800 -2.572 -2.812 1.00 0.00 C ATOM 821 O ARG A 53 14.836 -1.775 -3.750 1.00 0.00 O ATOM 822 CB ARG A 53 14.599 -4.991 -3.419 1.00 0.00 C ATOM 823 CG ARG A 53 14.283 -4.858 -4.900 1.00 0.00 C ATOM 824 CD ARG A 53 15.219 -5.706 -5.748 1.00 0.00 C ATOM 825 NE ARG A 53 14.724 -7.071 -5.910 1.00 0.00 N ATOM 826 CZ ARG A 53 15.480 -8.082 -6.323 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.759 -7.882 -6.612 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.958 -9.296 -6.445 1.00 0.00 N ATOM 0 H ARG A 53 15.525 -4.992 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 53 16.377 -3.797 -3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.047 -5.968 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.668 -4.958 -2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.252 -5.160 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.366 -3.813 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.338 -5.245 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.206 -5.731 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 53 13.745 -7.258 -5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.164 -6.951 -6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.338 -8.660 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.975 -9.453 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.539 -10.072 -6.762 1.00 0.00 H new ATOM 842 N ILE A 54 14.132 -2.340 -1.687 1.00 0.00 N ATOM 843 CA ILE A 54 13.385 -1.105 -1.486 1.00 0.00 C ATOM 844 C ILE A 54 14.315 0.044 -1.110 1.00 0.00 C ATOM 845 O ILE A 54 14.060 1.200 -1.450 1.00 0.00 O ATOM 846 CB ILE A 54 12.317 -1.267 -0.388 1.00 0.00 C ATOM 847 CG1 ILE A 54 12.981 -1.550 0.962 1.00 0.00 C ATOM 848 CG2 ILE A 54 11.348 -2.380 -0.752 1.00 0.00 C ATOM 849 CD1 ILE A 54 13.260 -0.303 1.772 1.00 0.00 C ATOM 0 H ILE A 54 14.093 -2.990 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 54 12.892 -0.876 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 54 11.756 -0.336 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.339 -2.214 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.918 -2.081 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.599 -2.482 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.855 -2.140 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.894 -3.318 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.731 -0.580 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.927 0.353 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.324 0.218 1.973 1.00 0.00 H new ATOM 861 N LEU A 55 15.395 -0.282 -0.407 1.00 0.00 N ATOM 862 CA LEU A 55 16.364 0.723 0.014 1.00 0.00 C ATOM 863 C LEU A 55 17.310 1.080 -1.129 1.00 0.00 C ATOM 864 O LEU A 55 17.810 2.202 -1.207 1.00 0.00 O ATOM 865 CB LEU A 55 17.167 0.214 1.214 1.00 0.00 C ATOM 866 CG LEU A 55 18.195 1.186 1.794 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.351 0.967 3.290 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.534 1.028 1.088 1.00 0.00 C ATOM 0 H LEU A 55 15.621 -1.234 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 55 15.817 1.621 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.468 -0.059 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.685 -0.698 0.918 1.00 0.00 H new ATOM 0 HG LEU A 55 17.838 2.203 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.087 1.667 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.393 1.130 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.686 -0.054 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.254 1.727 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 55 19.897 0.009 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.411 1.235 0.025 1.00 0.00 H new ATOM 880 N LYS A 56 17.549 0.120 -2.015 1.00 0.00 N ATOM 881 CA LYS A 56 18.430 0.332 -3.156 1.00 0.00 C ATOM 882 C LYS A 56 17.715 1.107 -4.258 1.00 0.00 C ATOM 883 O LYS A 56 18.308 1.965 -4.913 1.00 0.00 O ATOM 884 CB LYS A 56 18.927 -1.009 -3.700 1.00 0.00 C ATOM 885 CG LYS A 56 19.973 -0.874 -4.792 1.00 0.00 C ATOM 886 CD LYS A 56 21.178 -1.760 -4.524 1.00 0.00 C ATOM 887 CE LYS A 56 22.049 -1.904 -5.761 1.00 0.00 C ATOM 888 NZ LYS A 56 23.372 -1.239 -5.589 1.00 0.00 N ATOM 0 H LYS A 56 17.144 -0.815 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 56 19.285 0.919 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.345 -1.592 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.078 -1.570 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.533 -1.139 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.293 0.165 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.767 -1.338 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.842 -2.744 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.200 -2.962 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.535 -1.473 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.936 -1.360 -6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.230 -0.225 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.874 -1.668 -4.786 1.00 0.00 H new ATOM 902 N VAL A 57 16.437 0.801 -4.457 1.00 0.00 N ATOM 903 CA VAL A 57 15.641 1.470 -5.479 1.00 0.00 C ATOM 904 C VAL A 57 15.245 2.874 -5.035 1.00 0.00 C ATOM 905 O VAL A 57 15.277 3.819 -5.824 1.00 0.00 O ATOM 906 CB VAL A 57 14.368 0.671 -5.812 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.473 1.459 -6.758 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.729 -0.681 -6.409 1.00 0.00 C ATOM 0 H VAL A 57 15.931 0.094 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 57 16.263 1.536 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 57 13.816 0.499 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.579 0.878 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.186 2.400 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.012 1.665 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.817 -1.233 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.304 -0.533 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.325 -1.247 -5.693 1.00 0.00 H new ATOM 918 N LEU A 58 14.875 3.005 -3.765 1.00 0.00 N ATOM 919 CA LEU A 58 14.473 4.294 -3.215 1.00 0.00 C ATOM 920 C LEU A 58 15.663 5.243 -3.127 1.00 0.00 C ATOM 921 O LEU A 58 15.553 6.426 -3.449 1.00 0.00 O ATOM 922 CB LEU A 58 13.852 4.108 -1.830 1.00 0.00 C ATOM 923 CG LEU A 58 12.428 3.552 -1.801 1.00 0.00 C ATOM 924 CD1 LEU A 58 12.036 3.156 -0.387 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.446 4.572 -2.361 1.00 0.00 C ATOM 0 H LEU A 58 14.845 2.234 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 58 13.731 4.731 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.493 3.441 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.855 5.072 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 58 12.395 2.661 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.019 2.763 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.721 2.391 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.087 4.030 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.437 4.160 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.483 5.481 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.713 4.807 -3.391 1.00 0.00 H new ATOM 937 N LYS A 59 16.802 4.717 -2.690 1.00 0.00 N ATOM 938 CA LYS A 59 18.015 5.515 -2.564 1.00 0.00 C ATOM 939 C LYS A 59 18.562 5.897 -3.936 1.00 0.00 C ATOM 940 O LYS A 59 19.111 6.983 -4.117 1.00 0.00 O ATOM 941 CB LYS A 59 19.078 4.745 -1.775 1.00 0.00 C ATOM 942 CG LYS A 59 20.358 5.530 -1.555 1.00 0.00 C ATOM 943 CD LYS A 59 20.754 5.553 -0.088 1.00 0.00 C ATOM 944 CE LYS A 59 21.771 6.646 0.199 1.00 0.00 C ATOM 945 NZ LYS A 59 23.108 6.321 -0.373 1.00 0.00 N ATOM 0 H LYS A 59 16.910 3.740 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 59 17.763 6.429 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.665 4.461 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.314 3.822 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.162 5.088 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 59 20.226 6.551 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.867 5.709 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 59 21.170 4.585 0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 59 21.417 7.590 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.861 6.786 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.774 7.090 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.457 5.433 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 23.027 6.213 -1.404 1.00 0.00 H new ATOM 959 N LYS A 60 18.408 4.995 -4.899 1.00 0.00 N ATOM 960 CA LYS A 60 18.884 5.236 -6.257 1.00 0.00 C ATOM 961 C LYS A 60 17.908 6.123 -7.026 1.00 0.00 C ATOM 962 O LYS A 60 18.305 6.858 -7.930 1.00 0.00 O ATOM 963 CB LYS A 60 19.075 3.910 -6.996 1.00 0.00 C ATOM 964 CG LYS A 60 19.712 4.064 -8.365 1.00 0.00 C ATOM 965 CD LYS A 60 21.096 4.680 -8.272 1.00 0.00 C ATOM 966 CE LYS A 60 21.981 4.246 -9.429 1.00 0.00 C ATOM 967 NZ LYS A 60 23.036 3.289 -8.993 1.00 0.00 N ATOM 0 H LYS A 60 17.957 4.090 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 60 19.843 5.750 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.695 3.251 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.106 3.423 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.779 3.089 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.077 4.688 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 60 21.011 5.767 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 60 21.561 4.391 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 60 21.367 3.783 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 60 22.449 5.123 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 23.618 3.017 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 23.638 3.739 -8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 22.590 2.441 -8.589 1.00 0.00 H new ATOM 981 N ASP A 61 16.634 6.049 -6.658 1.00 0.00 N ATOM 982 CA ASP A 61 15.602 6.846 -7.312 1.00 0.00 C ATOM 983 C ASP A 61 15.752 8.323 -6.957 1.00 0.00 C ATOM 984 O ASP A 61 16.070 9.148 -7.814 1.00 0.00 O ATOM 985 CB ASP A 61 14.214 6.351 -6.909 1.00 0.00 C ATOM 986 CG ASP A 61 13.636 5.371 -7.910 1.00 0.00 C ATOM 987 OD1 ASP A 61 14.350 4.417 -8.289 1.00 0.00 O ATOM 988 OD2 ASP A 61 12.469 5.555 -8.316 1.00 0.00 O ATOM 0 H ASP A 61 16.291 5.446 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 61 15.719 6.735 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.271 5.875 -5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.542 7.203 -6.810 1.00 0.00 H new ATOM 993 N PHE A 62 15.521 8.650 -5.691 1.00 0.00 N ATOM 994 CA PHE A 62 15.627 10.027 -5.224 1.00 0.00 C ATOM 995 C PHE A 62 16.272 10.083 -3.842 1.00 0.00 C ATOM 996 O PHE A 62 15.911 10.917 -3.011 1.00 0.00 O ATOM 997 CB PHE A 62 14.245 10.682 -5.183 1.00 0.00 C ATOM 998 CG PHE A 62 13.550 10.699 -6.513 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.833 11.684 -7.445 1.00 0.00 C ATOM 1000 CD2 PHE A 62 12.612 9.730 -6.832 1.00 0.00 C ATOM 1001 CE1 PHE A 62 13.195 11.704 -8.671 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.971 9.743 -8.056 1.00 0.00 C ATOM 1003 CZ PHE A 62 12.262 10.731 -8.976 1.00 0.00 C ATOM 0 H PHE A 62 15.259 7.979 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 62 16.259 10.575 -5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.622 10.152 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.348 11.706 -4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.561 12.446 -7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.379 8.956 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.425 12.478 -9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.243 8.981 -8.293 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.761 10.743 -9.933 1.00 0.00 H new ATOM 1013 N ALA A 63 17.227 9.192 -3.604 1.00 0.00 N ATOM 1014 CA ALA A 63 17.924 9.141 -2.325 1.00 0.00 C ATOM 1015 C ALA A 63 16.937 9.101 -1.163 1.00 0.00 C ATOM 1016 O ALA A 63 16.956 9.968 -0.290 1.00 0.00 O ATOM 1017 CB ALA A 63 18.858 10.334 -2.185 1.00 0.00 C ATOM 0 H ALA A 63 17.537 8.494 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 63 18.515 8.225 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 63 19.372 10.283 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.592 10.318 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.280 11.257 -2.239 1.00 0.00 H new ATOM 1023 N CYS A 64 16.075 8.089 -1.161 1.00 0.00 N ATOM 1024 CA CYS A 64 15.078 7.937 -0.108 1.00 0.00 C ATOM 1025 C CYS A 64 15.503 6.866 0.893 1.00 0.00 C ATOM 1026 O CYS A 64 15.243 5.680 0.694 1.00 0.00 O ATOM 1027 CB CYS A 64 13.719 7.579 -0.711 1.00 0.00 C ATOM 1028 SG CYS A 64 12.536 8.945 -0.728 1.00 0.00 S ATOM 0 H CYS A 64 16.047 7.363 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 64 14.994 8.888 0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.868 7.229 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.291 6.749 -0.148 1.00 0.00 H new ATOM 0 HG CYS A 64 11.419 8.545 -1.258 1.00 0.00 H new ATOM 1034 N ASN A 65 16.159 7.294 1.967 1.00 0.00 N ATOM 1035 CA ASN A 65 16.623 6.371 2.996 1.00 0.00 C ATOM 1036 C ASN A 65 15.493 5.452 3.451 1.00 0.00 C ATOM 1037 O ASN A 65 14.535 5.894 4.082 1.00 0.00 O ATOM 1038 CB ASN A 65 17.177 7.146 4.193 1.00 0.00 C ATOM 1039 CG ASN A 65 18.690 7.249 4.165 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.250 8.191 3.606 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.361 6.274 4.769 1.00 0.00 N ATOM 0 H ASN A 65 16.381 8.273 2.147 1.00 0.00 H new ATOM 0 HA ASN A 65 17.417 5.759 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.748 8.148 4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.866 6.656 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.381 6.288 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.856 5.511 5.221 1.00 0.00 H new ATOM 1048 N GLY A 66 15.615 4.168 3.124 1.00 0.00 N ATOM 1049 CA GLY A 66 14.598 3.206 3.509 1.00 0.00 C ATOM 1050 C GLY A 66 15.160 2.069 4.339 1.00 0.00 C ATOM 1051 O GLY A 66 15.393 0.974 3.826 1.00 0.00 O ATOM 0 H GLY A 66 16.399 3.778 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.818 3.714 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.128 2.800 2.613 1.00 0.00 H new ATOM 1055 N ASN A 67 15.378 2.328 5.624 1.00 0.00 N ATOM 1056 CA ASN A 67 15.918 1.317 6.526 1.00 0.00 C ATOM 1057 C ASN A 67 14.796 0.513 7.175 1.00 0.00 C ATOM 1058 O ASN A 67 13.619 0.721 6.882 1.00 0.00 O ATOM 1059 CB ASN A 67 16.781 1.974 7.604 1.00 0.00 C ATOM 1060 CG ASN A 67 17.556 3.166 7.077 1.00 0.00 C ATOM 1061 OD1 ASN A 67 17.020 4.270 6.966 1.00 0.00 O ATOM 1062 ND2 ASN A 67 18.823 2.949 6.748 1.00 0.00 N ATOM 0 H ASN A 67 15.189 3.229 6.064 1.00 0.00 H new ATOM 0 HA ASN A 67 16.537 0.636 5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.145 2.294 8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.479 1.239 8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.394 3.713 6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.226 2.018 6.856 1.00 0.00 H new ATOM 1069 N ILE A 68 15.171 -0.405 8.061 1.00 0.00 N ATOM 1070 CA ILE A 68 14.195 -1.238 8.754 1.00 0.00 C ATOM 1071 C ILE A 68 14.285 -1.048 10.264 1.00 0.00 C ATOM 1072 O ILE A 68 15.347 -0.729 10.799 1.00 0.00 O ATOM 1073 CB ILE A 68 14.391 -2.729 8.423 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.143 -3.528 8.802 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.616 -3.274 9.144 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.172 -4.960 8.318 1.00 0.00 C ATOM 0 H ILE A 68 16.141 -0.590 8.315 1.00 0.00 H new ATOM 0 HA ILE A 68 13.210 -0.924 8.408 1.00 0.00 H new ATOM 0 HB ILE A 68 14.550 -2.830 7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.033 -3.522 9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.265 -3.031 8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.742 -4.329 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.500 -2.721 8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.484 -3.163 10.220 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.256 -5.466 8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.250 -4.975 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.031 -5.473 8.751 1.00 0.00 H new ATOM 1088 N VAL A 69 13.164 -1.251 10.949 1.00 0.00 N ATOM 1089 CA VAL A 69 13.117 -1.104 12.398 1.00 0.00 C ATOM 1090 C VAL A 69 12.228 -2.171 13.029 1.00 0.00 C ATOM 1091 O VAL A 69 11.500 -2.880 12.335 1.00 0.00 O ATOM 1092 CB VAL A 69 12.596 0.288 12.806 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.173 0.699 14.153 1.00 0.00 C ATOM 1094 CG2 VAL A 69 12.931 1.315 11.737 1.00 0.00 C ATOM 0 H VAL A 69 12.276 -1.518 10.523 1.00 0.00 H new ATOM 0 HA VAL A 69 14.138 -1.222 12.761 1.00 0.00 H new ATOM 0 HB VAL A 69 11.511 0.239 12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.795 1.684 14.426 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.878 -0.026 14.912 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.261 0.733 14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.556 2.292 12.041 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.012 1.366 11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.466 1.025 10.795 1.00 0.00 H new ATOM 1104 N LYS A 70 12.293 -2.282 14.352 1.00 0.00 N ATOM 1105 CA LYS A 70 11.495 -3.260 15.079 1.00 0.00 C ATOM 1106 C LYS A 70 10.633 -2.581 16.138 1.00 0.00 C ATOM 1107 O LYS A 70 11.146 -2.059 17.128 1.00 0.00 O ATOM 1108 CB LYS A 70 12.403 -4.303 15.737 1.00 0.00 C ATOM 1109 CG LYS A 70 11.644 -5.372 16.505 1.00 0.00 C ATOM 1110 CD LYS A 70 12.516 -6.017 17.569 1.00 0.00 C ATOM 1111 CE LYS A 70 11.919 -7.327 18.060 1.00 0.00 C ATOM 1112 NZ LYS A 70 12.595 -7.817 19.293 1.00 0.00 N ATOM 0 H LYS A 70 12.892 -1.705 14.943 1.00 0.00 H new ATOM 0 HA LYS A 70 10.838 -3.757 14.365 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.009 -4.781 14.968 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.090 -3.798 16.416 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.764 -4.930 16.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.288 -6.135 15.813 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.512 -6.199 17.164 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.634 -5.332 18.409 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.856 -7.190 18.259 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.002 -8.080 17.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.159 -8.712 19.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.604 -7.972 19.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.494 -7.110 20.049 1.00 0.00 H new ATOM 1126 N ASP A 71 9.322 -2.593 15.925 1.00 0.00 N ATOM 1127 CA ASP A 71 8.389 -1.980 16.863 1.00 0.00 C ATOM 1128 C ASP A 71 7.761 -3.033 17.772 1.00 0.00 C ATOM 1129 O ASP A 71 7.744 -4.224 17.463 1.00 0.00 O ATOM 1130 CB ASP A 71 7.294 -1.225 16.106 1.00 0.00 C ATOM 1131 CG ASP A 71 7.644 0.233 15.884 1.00 0.00 C ATOM 1132 OD1 ASP A 71 8.834 0.529 15.648 1.00 0.00 O ATOM 1133 OD2 ASP A 71 6.727 1.078 15.948 1.00 0.00 O ATOM 0 H ASP A 71 8.881 -3.021 15.111 1.00 0.00 H new ATOM 0 HA ASP A 71 8.945 -1.276 17.482 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.125 -1.706 15.143 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.360 -1.291 16.663 1.00 0.00 H new ATOM 1138 N PRO A 72 7.236 -2.585 18.922 1.00 0.00 N ATOM 1139 CA PRO A 72 6.600 -3.472 19.900 1.00 0.00 C ATOM 1140 C PRO A 72 5.273 -4.031 19.398 1.00 0.00 C ATOM 1141 O PRO A 72 4.674 -4.895 20.035 1.00 0.00 O ATOM 1142 CB PRO A 72 6.373 -2.562 21.108 1.00 0.00 C ATOM 1143 CG PRO A 72 6.296 -1.188 20.540 1.00 0.00 C ATOM 1144 CD PRO A 72 7.222 -1.178 19.355 1.00 0.00 C ATOM 0 HA PRO A 72 7.213 -4.347 20.117 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.455 -2.825 21.634 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.188 -2.648 21.827 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.276 -0.946 20.241 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.597 -0.443 21.277 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.859 -0.518 18.567 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.219 -0.831 19.627 1.00 0.00 H new ATOM 1152 N GLU A 73 4.821 -3.533 18.251 1.00 0.00 N ATOM 1153 CA GLU A 73 3.565 -3.985 17.664 1.00 0.00 C ATOM 1154 C GLU A 73 3.793 -5.182 16.746 1.00 0.00 C ATOM 1155 O GLU A 73 2.935 -6.056 16.625 1.00 0.00 O ATOM 1156 CB GLU A 73 2.905 -2.848 16.883 1.00 0.00 C ATOM 1157 CG GLU A 73 1.417 -3.054 16.650 1.00 0.00 C ATOM 1158 CD GLU A 73 0.639 -1.753 16.653 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.947 -0.875 15.821 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -0.278 -1.613 17.489 1.00 0.00 O ATOM 0 H GLU A 73 5.306 -2.817 17.710 1.00 0.00 H new ATOM 0 HA GLU A 73 2.904 -4.292 18.474 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.054 -1.913 17.423 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.404 -2.742 15.920 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.269 -3.559 15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.020 -3.712 17.423 1.00 0.00 H new ATOM 1167 N MET A 74 4.955 -5.214 16.101 1.00 0.00 N ATOM 1168 CA MET A 74 5.295 -6.304 15.195 1.00 0.00 C ATOM 1169 C MET A 74 6.798 -6.568 15.203 1.00 0.00 C ATOM 1170 O MET A 74 7.249 -7.627 15.639 1.00 0.00 O ATOM 1171 CB MET A 74 4.831 -5.978 13.774 1.00 0.00 C ATOM 1172 CG MET A 74 4.275 -7.179 13.025 1.00 0.00 C ATOM 1173 SD MET A 74 2.557 -7.526 13.449 1.00 0.00 S ATOM 1174 CE MET A 74 2.098 -8.632 12.117 1.00 0.00 C ATOM 0 H MET A 74 5.676 -4.498 16.189 1.00 0.00 H new ATOM 0 HA MET A 74 4.784 -7.203 15.539 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.066 -5.203 13.819 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.670 -5.566 13.212 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.352 -7.001 11.952 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.884 -8.055 13.247 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.058 -8.936 12.239 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.217 -8.120 11.162 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.739 -9.513 12.139 1.00 0.00 H new ATOM 1184 N GLY A 75 7.568 -5.599 14.717 1.00 0.00 N ATOM 1185 CA GLY A 75 9.011 -5.748 14.677 1.00 0.00 C ATOM 1186 C GLY A 75 9.551 -5.790 13.262 1.00 0.00 C ATOM 1187 O GLY A 75 10.535 -6.477 12.987 1.00 0.00 O ATOM 0 H GLY A 75 7.218 -4.714 14.350 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.474 -4.920 15.215 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.293 -6.663 15.197 1.00 0.00 H new ATOM 1191 N GLU A 76 8.906 -5.055 12.362 1.00 0.00 N ATOM 1192 CA GLU A 76 9.326 -5.015 10.966 1.00 0.00 C ATOM 1193 C GLU A 76 8.862 -3.727 10.295 1.00 0.00 C ATOM 1194 O GLU A 76 8.438 -3.734 9.139 1.00 0.00 O ATOM 1195 CB GLU A 76 8.775 -6.225 10.209 1.00 0.00 C ATOM 1196 CG GLU A 76 9.805 -6.913 9.330 1.00 0.00 C ATOM 1197 CD GLU A 76 9.964 -8.385 9.659 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.937 -9.047 9.924 1.00 0.00 O ATOM 1199 OE2 GLU A 76 11.111 -8.875 9.654 1.00 0.00 O ATOM 0 H GLU A 76 8.091 -4.479 12.574 1.00 0.00 H new ATOM 0 HA GLU A 76 10.415 -5.045 10.940 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.384 -6.945 10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.937 -5.905 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.514 -6.808 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.767 -6.413 9.445 1.00 0.00 H new ATOM 1206 N ILE A 77 8.945 -2.622 11.029 1.00 0.00 N ATOM 1207 CA ILE A 77 8.533 -1.325 10.505 1.00 0.00 C ATOM 1208 C ILE A 77 9.632 -0.705 9.647 1.00 0.00 C ATOM 1209 O ILE A 77 10.626 -0.198 10.166 1.00 0.00 O ATOM 1210 CB ILE A 77 8.172 -0.348 11.639 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.221 -1.018 12.634 1.00 0.00 C ATOM 1212 CG2 ILE A 77 7.546 0.916 11.070 1.00 0.00 C ATOM 1213 CD1 ILE A 77 5.935 -1.507 12.004 1.00 0.00 C ATOM 0 H ILE A 77 9.293 -2.599 11.987 1.00 0.00 H new ATOM 0 HA ILE A 77 7.649 -1.499 9.891 1.00 0.00 H new ATOM 0 HB ILE A 77 9.085 -0.072 12.166 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.731 -1.861 13.101 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.981 -0.311 13.428 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.296 1.597 11.884 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.253 1.400 10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.640 0.658 10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.309 -1.971 12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.403 -0.665 11.561 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.165 -2.239 11.229 1.00 0.00 H new ATOM 1225 N ILE A 78 9.443 -0.749 8.332 1.00 0.00 N ATOM 1226 CA ILE A 78 10.417 -0.189 7.403 1.00 0.00 C ATOM 1227 C ILE A 78 10.407 1.336 7.448 1.00 0.00 C ATOM 1228 O ILE A 78 9.483 1.975 6.944 1.00 0.00 O ATOM 1229 CB ILE A 78 10.146 -0.651 5.958 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.157 -2.178 5.877 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.178 -0.057 5.011 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.776 -2.794 5.909 1.00 0.00 C ATOM 0 H ILE A 78 8.626 -1.166 7.887 1.00 0.00 H new ATOM 0 HA ILE A 78 11.396 -0.552 7.715 1.00 0.00 H new ATOM 0 HB ILE A 78 9.159 -0.298 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.660 -2.482 4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.742 -2.574 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.974 -0.392 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.126 1.031 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.175 -0.384 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.860 -3.879 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.277 -2.521 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.194 -2.427 5.063 1.00 0.00 H new ATOM 1244 N GLN A 79 11.441 1.912 8.053 1.00 0.00 N ATOM 1245 CA GLN A 79 11.552 3.361 8.162 1.00 0.00 C ATOM 1246 C GLN A 79 11.975 3.977 6.834 1.00 0.00 C ATOM 1247 O GLN A 79 13.018 3.626 6.280 1.00 0.00 O ATOM 1248 CB GLN A 79 12.553 3.736 9.255 1.00 0.00 C ATOM 1249 CG GLN A 79 12.771 5.235 9.392 1.00 0.00 C ATOM 1250 CD GLN A 79 12.860 5.681 10.838 1.00 0.00 C ATOM 1251 OE1 GLN A 79 11.968 5.405 11.641 1.00 0.00 O ATOM 1252 NE2 GLN A 79 13.940 6.375 11.179 1.00 0.00 N ATOM 0 H GLN A 79 12.214 1.397 8.475 1.00 0.00 H new ATOM 0 HA GLN A 79 10.571 3.756 8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.203 3.339 10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.508 3.256 9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.688 5.514 8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.953 5.764 8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.655 6.581 10.481 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.054 6.702 12.139 1.00 0.00 H new ATOM 1261 N LEU A 80 11.161 4.895 6.327 1.00 0.00 N ATOM 1262 CA LEU A 80 11.452 5.560 5.060 1.00 0.00 C ATOM 1263 C LEU A 80 11.455 7.077 5.229 1.00 0.00 C ATOM 1264 O LEU A 80 10.414 7.685 5.471 1.00 0.00 O ATOM 1265 CB LEU A 80 10.425 5.156 4.002 1.00 0.00 C ATOM 1266 CG LEU A 80 10.984 4.820 2.618 1.00 0.00 C ATOM 1267 CD1 LEU A 80 9.895 4.238 1.730 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.596 6.057 1.975 1.00 0.00 C ATOM 0 H LEU A 80 10.294 5.197 6.772 1.00 0.00 H new ATOM 0 HA LEU A 80 12.444 5.247 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.875 4.290 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.706 5.968 3.894 1.00 0.00 H new ATOM 0 HG LEU A 80 11.767 4.071 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.311 4.005 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.503 3.328 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.089 4.964 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.989 5.799 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.833 6.828 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.405 6.430 2.602 1.00 0.00 H new ATOM 1280 N GLN A 81 12.633 7.678 5.100 1.00 0.00 N ATOM 1281 CA GLN A 81 12.770 9.124 5.237 1.00 0.00 C ATOM 1282 C GLN A 81 12.878 9.793 3.872 1.00 0.00 C ATOM 1283 O GLN A 81 13.655 9.366 3.020 1.00 0.00 O ATOM 1284 CB GLN A 81 14.000 9.462 6.083 1.00 0.00 C ATOM 1285 CG GLN A 81 14.041 10.910 6.544 1.00 0.00 C ATOM 1286 CD GLN A 81 15.212 11.675 5.958 1.00 0.00 C ATOM 1287 OE1 GLN A 81 16.274 11.109 5.703 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.023 12.971 5.739 1.00 0.00 N ATOM 0 H GLN A 81 13.505 7.188 4.901 1.00 0.00 H new ATOM 0 HA GLN A 81 11.878 9.503 5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.020 8.810 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.899 9.248 5.505 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.111 11.404 6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.100 10.940 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.126 13.401 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.775 13.537 5.345 1.00 0.00 H new ATOM 1297 N GLY A 82 12.090 10.845 3.670 1.00 0.00 N ATOM 1298 CA GLY A 82 12.113 11.557 2.405 1.00 0.00 C ATOM 1299 C GLY A 82 10.858 12.377 2.180 1.00 0.00 C ATOM 1300 O GLY A 82 9.885 12.254 2.925 1.00 0.00 O ATOM 0 H GLY A 82 11.436 11.217 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.983 12.214 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.227 10.842 1.591 1.00 0.00 H new ATOM 1304 N ASP A 83 10.880 13.217 1.151 1.00 0.00 N ATOM 1305 CA ASP A 83 9.735 14.061 0.829 1.00 0.00 C ATOM 1306 C ASP A 83 8.885 13.433 -0.269 1.00 0.00 C ATOM 1307 O ASP A 83 8.250 14.134 -1.056 1.00 0.00 O ATOM 1308 CB ASP A 83 10.206 15.451 0.393 1.00 0.00 C ATOM 1309 CG ASP A 83 11.358 15.389 -0.591 1.00 0.00 C ATOM 1310 OD1 ASP A 83 11.216 14.709 -1.629 1.00 0.00 O ATOM 1311 OD2 ASP A 83 12.402 16.020 -0.323 1.00 0.00 O ATOM 0 H ASP A 83 11.678 13.332 0.526 1.00 0.00 H new ATOM 0 HA ASP A 83 9.123 14.156 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.373 15.988 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.512 16.020 1.271 1.00 0.00 H new ATOM 1316 N GLN A 84 8.879 12.103 -0.316 1.00 0.00 N ATOM 1317 CA GLN A 84 8.108 11.379 -1.320 1.00 0.00 C ATOM 1318 C GLN A 84 7.183 10.358 -0.663 1.00 0.00 C ATOM 1319 O GLN A 84 7.181 9.183 -1.030 1.00 0.00 O ATOM 1320 CB GLN A 84 9.044 10.677 -2.304 1.00 0.00 C ATOM 1321 CG GLN A 84 9.973 11.628 -3.043 1.00 0.00 C ATOM 1322 CD GLN A 84 10.240 11.192 -4.471 1.00 0.00 C ATOM 1323 OE1 GLN A 84 9.989 10.044 -4.838 1.00 0.00 O ATOM 1324 NE2 GLN A 84 10.751 12.108 -5.284 1.00 0.00 N ATOM 0 H GLN A 84 9.399 11.507 0.328 1.00 0.00 H new ATOM 0 HA GLN A 84 7.497 12.100 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.643 9.944 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.447 10.127 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.536 12.626 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.919 11.697 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.943 13.048 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.951 11.872 -6.256 1.00 0.00 H new ATOM 1333 N ARG A 85 6.399 10.816 0.308 1.00 0.00 N ATOM 1334 CA ARG A 85 5.473 9.942 1.016 1.00 0.00 C ATOM 1335 C ARG A 85 4.389 9.421 0.074 1.00 0.00 C ATOM 1336 O ARG A 85 4.215 8.213 -0.079 1.00 0.00 O ATOM 1337 CB ARG A 85 4.829 10.687 2.187 1.00 0.00 C ATOM 1338 CG ARG A 85 3.997 9.795 3.093 1.00 0.00 C ATOM 1339 CD ARG A 85 2.508 10.011 2.873 1.00 0.00 C ATOM 1340 NE ARG A 85 1.739 9.811 4.099 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.437 10.052 4.196 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.239 10.499 3.146 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.193 9.845 5.346 1.00 0.00 N ATOM 0 H ARG A 85 6.387 11.787 0.622 1.00 0.00 H new ATOM 0 HA ARG A 85 6.037 9.092 1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.611 11.162 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.197 11.484 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.246 8.751 2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.245 10.000 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.339 11.021 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.152 9.324 2.105 1.00 0.00 H new ATOM 0 HE ARG A 85 2.229 9.468 4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.241 10.659 2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.239 10.683 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.323 9.501 6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.193 10.030 5.420 1.00 0.00 H new ATOM 1357 N ALA A 86 3.665 10.343 -0.553 1.00 0.00 N ATOM 1358 CA ALA A 86 2.601 9.977 -1.479 1.00 0.00 C ATOM 1359 C ALA A 86 3.110 9.017 -2.549 1.00 0.00 C ATOM 1360 O ALA A 86 2.351 8.210 -3.087 1.00 0.00 O ATOM 1361 CB ALA A 86 2.011 11.223 -2.125 1.00 0.00 C ATOM 0 H ALA A 86 3.796 11.348 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 86 1.820 9.469 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.217 10.934 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.602 11.874 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.791 11.754 -2.671 1.00 0.00 H new ATOM 1367 N LYS A 87 4.399 9.107 -2.853 1.00 0.00 N ATOM 1368 CA LYS A 87 5.012 8.246 -3.859 1.00 0.00 C ATOM 1369 C LYS A 87 5.169 6.823 -3.332 1.00 0.00 C ATOM 1370 O LYS A 87 4.874 5.855 -4.033 1.00 0.00 O ATOM 1371 CB LYS A 87 6.377 8.801 -4.273 1.00 0.00 C ATOM 1372 CG LYS A 87 6.720 8.545 -5.730 1.00 0.00 C ATOM 1373 CD LYS A 87 7.413 7.206 -5.912 1.00 0.00 C ATOM 1374 CE LYS A 87 8.185 7.150 -7.222 1.00 0.00 C ATOM 1375 NZ LYS A 87 7.808 5.964 -8.038 1.00 0.00 N ATOM 0 H LYS A 87 5.042 9.768 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 87 4.357 8.223 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.395 9.875 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.147 8.356 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.810 8.569 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.365 9.343 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.095 7.032 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.673 6.406 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.996 8.059 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.254 7.121 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.617 5.674 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.537 5.182 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.006 6.207 -8.653 1.00 0.00 H new ATOM 1389 N VAL A 88 5.634 6.702 -2.093 1.00 0.00 N ATOM 1390 CA VAL A 88 5.829 5.397 -1.472 1.00 0.00 C ATOM 1391 C VAL A 88 4.508 4.644 -1.352 1.00 0.00 C ATOM 1392 O VAL A 88 4.472 3.417 -1.431 1.00 0.00 O ATOM 1393 CB VAL A 88 6.460 5.529 -0.074 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.831 4.161 0.476 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.678 6.440 -0.123 1.00 0.00 C ATOM 0 H VAL A 88 5.883 7.493 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 88 6.507 4.837 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 88 5.726 5.977 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.276 4.275 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.936 3.543 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.548 3.683 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.111 6.522 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.417 6.023 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.379 7.429 -0.471 1.00 0.00 H new ATOM 1405 N CYS A 89 3.425 5.390 -1.162 1.00 0.00 N ATOM 1406 CA CYS A 89 2.100 4.793 -1.030 1.00 0.00 C ATOM 1407 C CYS A 89 1.563 4.354 -2.388 1.00 0.00 C ATOM 1408 O CYS A 89 0.915 3.315 -2.505 1.00 0.00 O ATOM 1409 CB CYS A 89 1.133 5.784 -0.383 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.246 5.008 0.492 1.00 0.00 S ATOM 0 H CYS A 89 3.438 6.408 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 89 2.188 3.913 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.686 6.411 0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.735 6.443 -1.155 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.007 5.928 1.006 1.00 0.00 H new ATOM 1416 N GLU A 90 1.839 5.154 -3.415 1.00 0.00 N ATOM 1417 CA GLU A 90 1.381 4.849 -4.765 1.00 0.00 C ATOM 1418 C GLU A 90 2.163 3.678 -5.353 1.00 0.00 C ATOM 1419 O GLU A 90 1.603 2.826 -6.043 1.00 0.00 O ATOM 1420 CB GLU A 90 1.525 6.077 -5.667 1.00 0.00 C ATOM 1421 CG GLU A 90 0.934 5.887 -7.053 1.00 0.00 C ATOM 1422 CD GLU A 90 1.633 6.727 -8.104 1.00 0.00 C ATOM 1423 OE1 GLU A 90 1.576 7.971 -8.006 1.00 0.00 O ATOM 1424 OE2 GLU A 90 2.239 6.140 -9.027 1.00 0.00 O ATOM 0 H GLU A 90 2.377 6.017 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 90 0.329 4.570 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.040 6.928 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.582 6.325 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.000 4.835 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.125 6.146 -7.031 1.00 0.00 H new ATOM 1431 N PHE A 91 3.464 3.644 -5.075 1.00 0.00 N ATOM 1432 CA PHE A 91 4.325 2.579 -5.577 1.00 0.00 C ATOM 1433 C PHE A 91 4.049 1.269 -4.847 1.00 0.00 C ATOM 1434 O PHE A 91 4.138 0.190 -5.433 1.00 0.00 O ATOM 1435 CB PHE A 91 5.796 2.968 -5.417 1.00 0.00 C ATOM 1436 CG PHE A 91 6.690 2.368 -6.465 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.533 2.701 -7.800 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.689 1.475 -6.114 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.355 2.152 -8.768 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.513 0.924 -7.076 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.346 1.261 -8.405 1.00 0.00 C ATOM 0 H PHE A 91 3.944 4.341 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 91 4.108 2.436 -6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.883 4.054 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.142 2.654 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.760 3.397 -8.089 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.825 1.207 -5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.222 2.420 -9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.288 0.229 -6.789 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.988 0.829 -9.158 1.00 0.00 H new ATOM 1451 N MET A 92 3.717 1.370 -3.565 1.00 0.00 N ATOM 1452 CA MET A 92 3.430 0.193 -2.753 1.00 0.00 C ATOM 1453 C MET A 92 2.164 -0.506 -3.239 1.00 0.00 C ATOM 1454 O MET A 92 2.158 -1.716 -3.459 1.00 0.00 O ATOM 1455 CB MET A 92 3.277 0.586 -1.283 1.00 0.00 C ATOM 1456 CG MET A 92 4.524 0.326 -0.451 1.00 0.00 C ATOM 1457 SD MET A 92 4.733 -1.416 -0.038 1.00 0.00 S ATOM 1458 CE MET A 92 5.994 -1.896 -1.215 1.00 0.00 C ATOM 0 H MET A 92 3.640 2.256 -3.065 1.00 0.00 H new ATOM 0 HA MET A 92 4.267 -0.499 -2.851 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.024 1.645 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.441 0.034 -0.853 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.400 0.673 -0.999 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.471 0.909 0.468 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.555 -2.541 -1.976 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.408 -1.006 -1.688 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.788 -2.435 -0.698 1.00 0.00 H new ATOM 1468 N ILE A 93 1.093 0.266 -3.403 1.00 0.00 N ATOM 1469 CA ILE A 93 -0.177 -0.279 -3.864 1.00 0.00 C ATOM 1470 C ILE A 93 -0.062 -0.815 -5.287 1.00 0.00 C ATOM 1471 O ILE A 93 -0.686 -1.817 -5.637 1.00 0.00 O ATOM 1472 CB ILE A 93 -1.294 0.779 -3.815 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.439 1.335 -2.396 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.611 0.182 -4.291 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -2.245 2.613 -2.327 1.00 0.00 C ATOM 0 H ILE A 93 1.081 1.270 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.432 -1.097 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.026 1.599 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.913 0.582 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.447 1.518 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.391 0.942 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.501 -0.171 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.885 -0.654 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.306 2.949 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.761 3.381 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.249 2.431 -2.709 1.00 0.00 H new ATOM 1487 N SER A 94 0.742 -0.142 -6.104 1.00 0.00 N ATOM 1488 CA SER A 94 0.938 -0.549 -7.491 1.00 0.00 C ATOM 1489 C SER A 94 1.874 -1.749 -7.577 1.00 0.00 C ATOM 1490 O SER A 94 1.896 -2.461 -8.582 1.00 0.00 O ATOM 1491 CB SER A 94 1.502 0.613 -8.310 1.00 0.00 C ATOM 1492 OG SER A 94 1.834 0.197 -9.624 1.00 0.00 O ATOM 0 H SER A 94 1.268 0.688 -5.830 1.00 0.00 H new ATOM 0 HA SER A 94 -0.030 -0.836 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.770 1.420 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.388 1.013 -7.817 1.00 0.00 H new ATOM 0 HG SER A 94 2.191 0.958 -10.128 1.00 0.00 H new ATOM 1498 N GLN A 95 2.644 -1.969 -6.517 1.00 0.00 N ATOM 1499 CA GLN A 95 3.584 -3.084 -6.473 1.00 0.00 C ATOM 1500 C GLN A 95 2.905 -4.347 -5.959 1.00 0.00 C ATOM 1501 O GLN A 95 3.323 -5.462 -6.274 1.00 0.00 O ATOM 1502 CB GLN A 95 4.780 -2.734 -5.584 1.00 0.00 C ATOM 1503 CG GLN A 95 5.887 -3.776 -5.619 1.00 0.00 C ATOM 1504 CD GLN A 95 6.877 -3.538 -6.740 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.310 -2.409 -6.973 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.246 -4.603 -7.443 1.00 0.00 N ATOM 0 H GLN A 95 2.636 -1.391 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 95 3.937 -3.271 -7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.187 -1.773 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.436 -2.615 -4.556 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.415 -3.771 -4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.445 -4.766 -5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.863 -5.521 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.912 -4.503 -8.209 1.00 0.00 H new ATOM 1515 N LEU A 96 1.854 -4.167 -5.165 1.00 0.00 N ATOM 1516 CA LEU A 96 1.116 -5.295 -4.606 1.00 0.00 C ATOM 1517 C LEU A 96 -0.042 -5.692 -5.515 1.00 0.00 C ATOM 1518 O LEU A 96 -0.523 -6.822 -5.467 1.00 0.00 O ATOM 1519 CB LEU A 96 0.590 -4.944 -3.214 1.00 0.00 C ATOM 1520 CG LEU A 96 1.545 -5.210 -2.048 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.566 -6.690 -1.701 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.945 -4.718 -2.386 1.00 0.00 C ATOM 0 H LEU A 96 1.494 -3.252 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 96 1.798 -6.142 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.322 -3.887 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.327 -5.507 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 96 1.188 -4.661 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.251 -6.859 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.564 -7.011 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.899 -7.262 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.612 -4.914 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.311 -5.240 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.916 -3.646 -2.584 1.00 0.00 H new ATOM 1534 N GLY A 97 -0.485 -4.753 -6.346 1.00 0.00 N ATOM 1535 CA GLY A 97 -1.582 -5.024 -7.256 1.00 0.00 C ATOM 1536 C GLY A 97 -2.905 -4.487 -6.746 1.00 0.00 C ATOM 1537 O GLY A 97 -3.893 -5.219 -6.670 1.00 0.00 O ATOM 0 H GLY A 97 -0.103 -3.809 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.363 -4.579 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.665 -6.100 -7.410 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.926 -3.206 -6.394 1.00 0.00 N ATOM 1542 CA LEU A 98 -4.138 -2.572 -5.885 1.00 0.00 C ATOM 1543 C LEU A 98 -4.562 -3.194 -4.560 1.00 0.00 C ATOM 1544 O LEU A 98 -5.651 -3.758 -4.449 1.00 0.00 O ATOM 1545 CB LEU A 98 -5.269 -2.697 -6.907 1.00 0.00 C ATOM 1546 CG LEU A 98 -4.885 -2.458 -8.368 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -6.008 -2.897 -9.295 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -4.544 -0.993 -8.596 1.00 0.00 C ATOM 0 H LEU A 98 -2.118 -2.586 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.924 -1.517 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.698 -3.696 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.054 -1.990 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.002 -3.056 -8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.716 -2.719 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.204 -3.959 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.910 -2.328 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.273 -0.841 -9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.409 -0.376 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.706 -0.711 -7.959 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.698 -3.086 -3.556 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.985 -3.637 -2.238 1.00 0.00 C ATOM 1562 C GLN A 99 -4.512 -2.556 -1.299 1.00 0.00 C ATOM 1563 O GLN A 99 -3.811 -1.591 -0.991 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.728 -4.277 -1.644 1.00 0.00 C ATOM 1565 CG GLN A 99 -3.021 -5.274 -0.534 1.00 0.00 C ATOM 1566 CD GLN A 99 -2.625 -6.690 -0.903 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -1.406 -7.077 -0.545 1.00 0.00 O flip ATOM 1568 NE2 GLN A 99 -3.406 -7.429 -1.503 1.00 0.00 N flip ATOM 0 H GLN A 99 -2.793 -2.622 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.754 -4.401 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.177 -4.781 -2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.080 -3.492 -1.255 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.487 -4.975 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.085 -5.248 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.334 -7.091 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.125 -8.380 -1.744 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.750 -2.723 -0.847 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.371 -1.763 0.058 1.00 0.00 C ATOM 1579 C LYS A 100 -7.382 -2.449 0.970 1.00 0.00 C ATOM 1580 O LYS A 100 -8.247 -1.798 1.556 1.00 0.00 O ATOM 1581 CB LYS A 100 -7.058 -0.652 -0.739 1.00 0.00 C ATOM 1582 CG LYS A 100 -8.053 -1.166 -1.767 1.00 0.00 C ATOM 1583 CD LYS A 100 -9.343 -0.363 -1.745 1.00 0.00 C ATOM 1584 CE LYS A 100 -9.988 -0.307 -3.121 1.00 0.00 C ATOM 1585 NZ LYS A 100 -11.426 -0.690 -3.074 1.00 0.00 N ATOM 0 H LYS A 100 -6.344 -3.515 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.588 -1.327 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.574 0.014 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.298 -0.058 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.609 -1.116 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.273 -2.215 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.038 -0.809 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.137 0.649 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.893 0.701 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.456 -0.974 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.830 -0.639 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.515 -1.661 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.939 -0.038 -2.447 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.266 -3.768 1.086 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.169 -4.543 1.928 1.00 0.00 C ATOM 1601 C LYS A 101 -8.180 -4.004 3.354 1.00 0.00 C ATOM 1602 O LYS A 101 -9.163 -4.158 4.079 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.755 -6.017 1.934 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.554 -6.877 0.969 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.941 -7.180 1.512 1.00 0.00 C ATOM 1606 CE LYS A 101 -10.941 -7.413 0.388 1.00 0.00 C ATOM 1607 NZ LYS A 101 -11.547 -8.771 0.457 1.00 0.00 N ATOM 0 H LYS A 101 -6.556 -4.322 0.608 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.174 -4.455 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.697 -6.090 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.870 -6.414 2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.641 -6.366 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.022 -7.810 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.898 -8.062 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.278 -6.351 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.728 -6.661 0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.443 -7.286 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.222 -8.890 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.799 -9.489 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.044 -8.884 1.363 1.00 0.00 H new ATOM 1621 N ASN A 102 -7.083 -3.368 3.751 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.967 -2.804 5.090 1.00 0.00 C ATOM 1623 C ASN A 102 -5.661 -2.031 5.245 1.00 0.00 C ATOM 1624 O ASN A 102 -4.677 -2.311 4.559 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.043 -3.912 6.142 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.520 -3.401 7.487 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.877 -2.552 8.105 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.653 -3.918 7.949 1.00 0.00 N ATOM 0 H ASN A 102 -6.261 -3.230 3.163 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.797 -2.113 5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.718 -4.694 5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.059 -4.367 6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.023 -3.613 8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.153 -4.620 7.403 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.660 -1.057 6.149 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.473 -0.245 6.394 1.00 0.00 C ATOM 1637 C ILE A 103 -4.361 0.132 7.867 1.00 0.00 C ATOM 1638 O ILE A 103 -5.276 0.722 8.440 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.486 1.040 5.546 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.879 0.721 4.103 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -3.125 1.719 5.592 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -4.917 1.936 3.204 1.00 0.00 C ATOM 0 H ILE A 103 -6.466 -0.811 6.723 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.612 -0.849 6.109 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.226 1.724 5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.173 -0.001 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -5.860 0.245 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.150 2.626 4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.881 1.976 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.367 1.042 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -5.203 1.634 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.644 2.651 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.931 2.400 3.178 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.230 -0.211 8.476 1.00 0.00 N ATOM 1655 CA LYS A 104 -2.995 0.093 9.882 1.00 0.00 C ATOM 1656 C LYS A 104 -2.212 1.394 10.032 1.00 0.00 C ATOM 1657 O LYS A 104 -0.980 1.387 10.061 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.234 -1.053 10.553 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.054 -1.803 11.588 1.00 0.00 C ATOM 1660 CD LYS A 104 -2.794 -1.281 12.991 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.090 -0.932 13.706 1.00 0.00 C ATOM 1662 NZ LYS A 104 -3.911 -0.879 15.183 1.00 0.00 N ATOM 0 H LYS A 104 -2.462 -0.700 8.017 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.963 0.212 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.901 -1.754 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.339 -0.654 11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.114 -1.706 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.814 -2.865 11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.252 -2.032 13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.157 -0.398 12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.453 0.032 13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.852 -1.671 13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.817 -0.638 15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.588 -1.806 15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.203 -0.156 15.421 1.00 0.00 H new ATOM 1676 N ILE A 105 -2.933 2.506 10.130 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.305 3.812 10.282 1.00 0.00 C ATOM 1678 C ILE A 105 -2.298 4.254 11.741 1.00 0.00 C ATOM 1679 O ILE A 105 -3.293 4.103 12.451 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.021 4.882 9.437 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.290 4.354 8.026 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.193 6.157 9.381 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.721 3.916 7.807 1.00 0.00 C ATOM 0 H ILE A 105 -3.952 2.528 10.107 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.278 3.710 9.932 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.977 5.113 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.042 5.131 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.627 3.512 7.829 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.713 6.903 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.048 6.541 10.391 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.223 5.942 8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.838 3.554 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.968 3.117 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.389 4.761 7.971 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.170 4.800 12.183 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.033 5.267 13.558 1.00 0.00 C ATOM 1697 C HIS A 106 -1.462 6.727 13.682 1.00 0.00 C ATOM 1698 O HIS A 106 -0.921 7.601 13.006 1.00 0.00 O ATOM 1699 CB HIS A 106 0.410 5.105 14.034 1.00 0.00 C ATOM 1700 CG HIS A 106 0.531 4.424 15.363 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.378 5.088 16.562 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.789 3.134 15.678 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.538 4.234 17.557 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.789 3.040 17.047 1.00 0.00 N ATOM 0 H HIS A 106 -0.337 4.930 11.609 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.684 4.661 14.187 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.967 4.534 13.291 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.876 6.088 14.095 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.963 2.327 14.981 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.475 4.471 18.609 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.955 2.189 17.583 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.435 6.981 14.549 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.920 8.335 14.746 1.00 0.00 C ATOM 1714 C GLY A 107 -2.456 8.932 16.059 1.00 0.00 C ATOM 1715 O GLY A 107 -2.860 8.481 17.132 1.00 0.00 O ATOM 0 H GLY A 107 -2.897 6.273 15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.578 8.963 13.924 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.010 8.335 14.715 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.605 9.951 15.978 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.084 10.608 17.169 1.00 0.00 C ATOM 1721 C PHE A 108 -1.673 12.009 17.319 1.00 0.00 C ATOM 1722 O PHE A 108 -2.771 12.284 16.840 1.00 0.00 O ATOM 1723 CB PHE A 108 0.443 10.689 17.107 1.00 0.00 C ATOM 1724 CG PHE A 108 1.078 11.052 18.420 1.00 0.00 C ATOM 1725 CD1 PHE A 108 1.109 10.142 19.464 1.00 0.00 C ATOM 1726 CD2 PHE A 108 1.644 12.302 18.607 1.00 0.00 C ATOM 1727 CE1 PHE A 108 1.692 10.473 20.672 1.00 0.00 C ATOM 1728 CE2 PHE A 108 2.229 12.639 19.813 1.00 0.00 C ATOM 1729 CZ PHE A 108 2.254 11.724 20.847 1.00 0.00 C ATOM 0 H PHE A 108 -1.262 10.339 15.099 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.374 10.015 18.036 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.837 9.728 16.775 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.730 11.427 16.358 1.00 0.00 H new ATOM 0 HD1 PHE A 108 0.673 9.163 19.332 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.628 13.021 17.802 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.709 9.755 21.479 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.666 13.617 19.947 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.711 11.985 21.790 1.00 0.00 H new