USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 576 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 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 48 THR OG1 : rot 128:sc= 0.198 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0.19 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 23:sc= 1.22 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.3!) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0129) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -112:sc= -7.22! (180deg=-9.89!) USER MOD Single : A 44 SER OG : rot 20:sc= 0.0972 USER MOD Single : A 46 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-4.2!) USER MOD Single : A 49 SER OG : rot -55:sc= 0.663 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.6!) USER MOD Single : A 66 SER OG : rot 170:sc= -2.49 USER MOD Single : A 67 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-0.68) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 76 MET CE :methyl -140:sc= 0 (180deg=-0.0147) USER MOD Single : A 79 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-4.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -145:sc= -0.546 (180deg=-0.703) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -164:sc= -0.624 USER MOD Single : A 96 GLN : amide:sc= -0.0445 X(o=-0.045,f=-0.045) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.604 -0.209 -11.627 1.00 0.00 N ATOM 312 CA ALA A 23 -4.789 -0.555 -10.853 1.00 0.00 C ATOM 313 C ALA A 23 -6.063 -0.162 -11.595 1.00 0.00 C ATOM 314 O ALA A 23 -6.046 0.716 -12.458 1.00 0.00 O ATOM 315 CB ALA A 23 -4.743 0.115 -9.488 1.00 0.00 C ATOM 0 HA ALA A 23 -4.799 -1.636 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.635 -0.153 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.856 -0.219 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.705 1.197 -9.615 1.00 0.00 H new ATOM 321 N THR A 24 -7.168 -0.818 -11.253 1.00 0.00 N ATOM 322 CA THR A 24 -8.450 -0.538 -11.887 1.00 0.00 C ATOM 323 C THR A 24 -9.354 0.271 -10.965 1.00 0.00 C ATOM 324 O THR A 24 -9.147 0.310 -9.752 1.00 0.00 O ATOM 325 CB THR A 24 -9.174 -1.838 -12.287 1.00 0.00 C ATOM 326 OG1 THR A 24 -8.233 -2.781 -12.812 1.00 0.00 O ATOM 327 CG2 THR A 24 -10.252 -1.559 -13.323 1.00 0.00 C ATOM 0 H THR A 24 -7.200 -1.547 -10.540 1.00 0.00 H new ATOM 0 HA THR A 24 -8.239 0.043 -12.785 1.00 0.00 H new ATOM 0 HB THR A 24 -9.646 -2.254 -11.397 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.701 -3.605 -13.062 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.750 -2.491 -13.590 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.982 -0.863 -12.910 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.798 -1.122 -14.212 1.00 0.00 H new ATOM 335 N VAL A 25 -10.359 0.917 -11.548 1.00 0.00 N ATOM 336 CA VAL A 25 -11.298 1.725 -10.778 1.00 0.00 C ATOM 337 C VAL A 25 -12.709 1.155 -10.859 1.00 0.00 C ATOM 338 O VAL A 25 -13.140 0.683 -11.910 1.00 0.00 O ATOM 339 CB VAL A 25 -11.316 3.185 -11.269 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.852 3.263 -12.690 1.00 0.00 C ATOM 341 CG2 VAL A 25 -12.142 4.052 -10.330 1.00 0.00 C ATOM 0 H VAL A 25 -10.544 0.897 -12.551 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.960 1.702 -9.742 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.294 3.563 -11.271 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.858 4.302 -13.020 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.216 2.675 -13.352 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.868 2.868 -12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.144 5.080 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.165 3.678 -10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.709 4.020 -9.330 1.00 0.00 H new ATOM 351 N GLY A 26 -13.427 1.203 -9.741 1.00 0.00 N ATOM 352 CA GLY A 26 -14.783 0.689 -9.707 1.00 0.00 C ATOM 353 C GLY A 26 -14.832 -0.824 -9.798 1.00 0.00 C ATOM 354 O GLY A 26 -15.686 -1.384 -10.486 1.00 0.00 O ATOM 0 H GLY A 26 -13.093 1.589 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.267 1.010 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.352 1.118 -10.532 1.00 0.00 H new ATOM 358 N SER A 27 -13.913 -1.487 -9.104 1.00 0.00 N ATOM 359 CA SER A 27 -13.851 -2.944 -9.114 1.00 0.00 C ATOM 360 C SER A 27 -12.961 -3.458 -7.987 1.00 0.00 C ATOM 361 O SER A 27 -11.859 -2.951 -7.771 1.00 0.00 O ATOM 362 CB SER A 27 -13.327 -3.444 -10.462 1.00 0.00 C ATOM 363 OG SER A 27 -14.371 -3.530 -11.415 1.00 0.00 O ATOM 0 H SER A 27 -13.201 -1.039 -8.528 1.00 0.00 H new ATOM 0 HA SER A 27 -14.860 -3.327 -8.960 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.552 -2.770 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.864 -4.423 -10.335 1.00 0.00 H new ATOM 0 HG SER A 27 -15.104 -2.934 -11.152 1.00 0.00 H new ATOM 369 N ILE A 28 -13.446 -4.466 -7.271 1.00 0.00 N ATOM 370 CA ILE A 28 -12.695 -5.050 -6.167 1.00 0.00 C ATOM 371 C ILE A 28 -11.288 -5.442 -6.605 1.00 0.00 C ATOM 372 O ILE A 28 -11.088 -6.492 -7.218 1.00 0.00 O ATOM 373 CB ILE A 28 -13.407 -6.290 -5.595 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.758 -5.898 -4.993 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.532 -6.968 -4.551 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.625 -7.083 -4.631 1.00 0.00 C ATOM 0 H ILE A 28 -14.356 -4.896 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.632 -4.287 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.584 -6.996 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.588 -5.296 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.294 -5.269 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.049 -7.843 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.593 -7.278 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.327 -6.270 -3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.566 -6.730 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.826 -7.673 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.108 -7.701 -3.897 1.00 0.00 H new ATOM 388 N CYS A 29 -10.317 -4.594 -6.286 1.00 0.00 N ATOM 389 CA CYS A 29 -8.927 -4.852 -6.647 1.00 0.00 C ATOM 390 C CYS A 29 -8.234 -5.686 -5.574 1.00 0.00 C ATOM 391 O CYS A 29 -8.187 -5.299 -4.407 1.00 0.00 O ATOM 392 CB CYS A 29 -8.178 -3.534 -6.849 1.00 0.00 C ATOM 393 SG CYS A 29 -6.502 -3.731 -7.499 1.00 0.00 S ATOM 0 H CYS A 29 -10.466 -3.722 -5.778 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.917 -5.413 -7.581 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.749 -2.904 -7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -8.127 -3.007 -5.896 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.950 -2.562 -7.638 1.00 0.00 H new ATOM 399 N ASP A 30 -7.698 -6.832 -5.978 1.00 0.00 N ATOM 400 CA ASP A 30 -7.007 -7.722 -5.052 1.00 0.00 C ATOM 401 C ASP A 30 -5.541 -7.327 -4.911 1.00 0.00 C ATOM 402 O ASP A 30 -4.779 -7.370 -5.878 1.00 0.00 O ATOM 403 CB ASP A 30 -7.114 -9.171 -5.529 1.00 0.00 C ATOM 404 CG ASP A 30 -6.673 -9.341 -6.969 1.00 0.00 C ATOM 405 OD1 ASP A 30 -7.463 -9.003 -7.875 1.00 0.00 O ATOM 406 OD2 ASP A 30 -5.538 -9.812 -7.190 1.00 0.00 O ATOM 0 H ASP A 30 -7.729 -7.167 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.484 -7.633 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.504 -9.807 -4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.145 -9.509 -5.426 1.00 0.00 H new ATOM 411 N LEU A 31 -5.151 -6.940 -3.701 1.00 0.00 N ATOM 412 CA LEU A 31 -3.776 -6.535 -3.433 1.00 0.00 C ATOM 413 C LEU A 31 -2.987 -7.676 -2.798 1.00 0.00 C ATOM 414 O LEU A 31 -3.074 -7.908 -1.593 1.00 0.00 O ATOM 415 CB LEU A 31 -3.753 -5.311 -2.516 1.00 0.00 C ATOM 416 CG LEU A 31 -2.391 -4.645 -2.319 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.975 -3.899 -3.578 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.426 -3.702 -1.125 1.00 0.00 C ATOM 0 H LEU A 31 -5.768 -6.898 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.307 -6.278 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.443 -4.569 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.135 -5.607 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.653 -5.422 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.003 -3.431 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.909 -4.599 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.714 -3.131 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.448 -3.237 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.176 -2.930 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.679 -4.263 -0.225 1.00 0.00 H new ATOM 430 N ASN A 32 -2.215 -8.382 -3.617 1.00 0.00 N ATOM 431 CA ASN A 32 -1.408 -9.498 -3.134 1.00 0.00 C ATOM 432 C ASN A 32 -0.117 -8.999 -2.495 1.00 0.00 C ATOM 433 O ASN A 32 0.716 -8.375 -3.155 1.00 0.00 O ATOM 434 CB ASN A 32 -1.085 -10.455 -4.284 1.00 0.00 C ATOM 435 CG ASN A 32 -2.314 -10.825 -5.091 1.00 0.00 C ATOM 436 OD1 ASN A 32 -2.938 -9.969 -5.720 1.00 0.00 O ATOM 437 ND2 ASN A 32 -2.668 -12.104 -5.077 1.00 0.00 N ATOM 0 H ASN A 32 -2.131 -8.202 -4.617 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.984 -10.031 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.348 -9.993 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.631 -11.361 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.487 -12.412 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.121 -12.779 -4.542 1.00 0.00 H new ATOM 444 N LEU A 33 0.045 -9.278 -1.206 1.00 0.00 N ATOM 445 CA LEU A 33 1.236 -8.858 -0.476 1.00 0.00 C ATOM 446 C LEU A 33 1.961 -10.060 0.121 1.00 0.00 C ATOM 447 O LEU A 33 1.356 -11.102 0.373 1.00 0.00 O ATOM 448 CB LEU A 33 0.859 -7.874 0.633 1.00 0.00 C ATOM 449 CG LEU A 33 0.533 -6.449 0.184 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.381 -5.768 1.190 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.811 -5.646 -0.008 1.00 0.00 C ATOM 0 H LEU A 33 -0.633 -9.793 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 33 1.907 -8.364 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.004 -8.272 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.682 -7.829 1.347 1.00 0.00 H new ATOM 0 HG LEU A 33 0.012 -6.500 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.602 -4.755 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.310 -6.332 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.112 -5.728 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.561 -4.634 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.359 -5.604 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.430 -6.124 -0.767 1.00 0.00 H new ATOM 463 N LYS A 34 3.262 -9.908 0.345 1.00 0.00 N ATOM 464 CA LYS A 34 4.071 -10.979 0.916 1.00 0.00 C ATOM 465 C LYS A 34 4.354 -10.720 2.392 1.00 0.00 C ATOM 466 O LYS A 34 5.503 -10.770 2.831 1.00 0.00 O ATOM 467 CB LYS A 34 5.388 -11.115 0.149 1.00 0.00 C ATOM 468 CG LYS A 34 5.986 -9.784 -0.273 1.00 0.00 C ATOM 469 CD LYS A 34 7.304 -9.972 -1.006 1.00 0.00 C ATOM 470 CE LYS A 34 8.190 -8.742 -0.884 1.00 0.00 C ATOM 471 NZ LYS A 34 8.843 -8.658 0.452 1.00 0.00 N ATOM 0 H LYS A 34 3.779 -9.053 0.140 1.00 0.00 H new ATOM 0 HA LYS A 34 3.510 -11.909 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.108 -11.646 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.221 -11.726 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.283 -9.256 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.144 -9.160 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.826 -10.839 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.110 -10.179 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.954 -8.767 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.593 -7.846 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.528 -7.875 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.121 -8.490 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.337 -9.551 0.654 1.00 0.00 H new ATOM 485 N ILE A 35 3.300 -10.445 3.152 1.00 0.00 N ATOM 486 CA ILE A 35 3.436 -10.181 4.579 1.00 0.00 C ATOM 487 C ILE A 35 3.918 -11.421 5.324 1.00 0.00 C ATOM 488 O ILE A 35 3.468 -12.539 5.074 1.00 0.00 O ATOM 489 CB ILE A 35 2.104 -9.711 5.195 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.584 -8.476 4.457 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.280 -9.415 6.676 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.113 -8.208 4.690 1.00 0.00 C ATOM 0 H ILE A 35 2.342 -10.399 2.804 1.00 0.00 H new ATOM 0 HA ILE A 35 4.175 -9.387 4.683 1.00 0.00 H new ATOM 0 HB ILE A 35 1.370 -10.510 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.158 -7.605 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.757 -8.601 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.330 -9.084 7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.610 -10.317 7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.026 -8.631 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.187 -7.318 4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.471 -9.062 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.064 -8.050 5.754 1.00 0.00 H new ATOM 504 N PRO A 36 4.854 -11.220 6.264 1.00 0.00 N ATOM 505 CA PRO A 36 5.416 -12.310 7.067 1.00 0.00 C ATOM 506 C PRO A 36 4.406 -12.882 8.056 1.00 0.00 C ATOM 507 O PRO A 36 3.206 -12.635 7.943 1.00 0.00 O ATOM 508 CB PRO A 36 6.574 -11.642 7.811 1.00 0.00 C ATOM 509 CG PRO A 36 6.201 -10.201 7.877 1.00 0.00 C ATOM 510 CD PRO A 36 5.435 -9.914 6.615 1.00 0.00 C ATOM 0 HA PRO A 36 5.719 -13.156 6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.700 -12.064 8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.517 -11.783 7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.593 -9.995 8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.088 -9.571 7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.663 -9.161 6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.087 -9.539 5.826 1.00 0.00 H new ATOM 518 N GLU A 37 4.901 -13.646 9.024 1.00 0.00 N ATOM 519 CA GLU A 37 4.040 -14.253 10.033 1.00 0.00 C ATOM 520 C GLU A 37 3.063 -13.228 10.602 1.00 0.00 C ATOM 521 O GLU A 37 1.991 -13.583 11.092 1.00 0.00 O ATOM 522 CB GLU A 37 4.882 -14.853 11.161 1.00 0.00 C ATOM 523 CG GLU A 37 5.606 -13.813 11.999 1.00 0.00 C ATOM 524 CD GLU A 37 6.187 -14.392 13.274 1.00 0.00 C ATOM 525 OE1 GLU A 37 5.404 -14.886 14.112 1.00 0.00 O ATOM 526 OE2 GLU A 37 7.425 -14.352 13.433 1.00 0.00 O ATOM 0 H GLU A 37 5.893 -13.860 9.131 1.00 0.00 H new ATOM 0 HA GLU A 37 3.468 -15.048 9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.236 -15.445 11.810 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.615 -15.536 10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.407 -13.369 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.914 -13.010 12.252 1.00 0.00 H new ATOM 533 N ILE A 38 3.443 -11.957 10.534 1.00 0.00 N ATOM 534 CA ILE A 38 2.601 -10.881 11.042 1.00 0.00 C ATOM 535 C ILE A 38 1.129 -11.146 10.743 1.00 0.00 C ATOM 536 O ILE A 38 0.687 -11.029 9.601 1.00 0.00 O ATOM 537 CB ILE A 38 2.999 -9.521 10.437 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.314 -9.032 11.048 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.894 -8.499 10.658 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.988 -7.946 10.240 1.00 0.00 C ATOM 0 H ILE A 38 4.328 -11.647 10.132 1.00 0.00 H new ATOM 0 HA ILE A 38 2.750 -10.847 12.121 1.00 0.00 H new ATOM 0 HB ILE A 38 3.143 -9.645 9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.121 -8.659 12.054 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.996 -9.877 11.147 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.190 -7.544 10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.977 -8.845 10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.722 -8.375 11.727 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.914 -7.648 10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.212 -8.321 9.242 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.324 -7.085 10.163 1.00 0.00 H new ATOM 552 N ASN A 39 0.376 -11.502 11.778 1.00 0.00 N ATOM 553 CA ASN A 39 -1.048 -11.783 11.627 1.00 0.00 C ATOM 554 C ASN A 39 -1.787 -10.565 11.081 1.00 0.00 C ATOM 555 O ASN A 39 -1.174 -9.548 10.755 1.00 0.00 O ATOM 556 CB ASN A 39 -1.652 -12.201 12.969 1.00 0.00 C ATOM 557 CG ASN A 39 -1.061 -13.497 13.490 1.00 0.00 C ATOM 558 OD1 ASN A 39 -0.935 -14.475 12.753 1.00 0.00 O ATOM 559 ND2 ASN A 39 -0.696 -13.509 14.766 1.00 0.00 N ATOM 0 H ASN A 39 0.727 -11.603 12.730 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.158 -12.602 10.916 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.488 -11.410 13.701 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.730 -12.315 12.859 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.292 -14.353 15.173 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.819 -12.675 15.340 1.00 0.00 H new ATOM 566 N SER A 40 -3.108 -10.676 10.984 1.00 0.00 N ATOM 567 CA SER A 40 -3.932 -9.586 10.474 1.00 0.00 C ATOM 568 C SER A 40 -4.770 -8.971 11.591 1.00 0.00 C ATOM 569 O SER A 40 -5.050 -7.772 11.584 1.00 0.00 O ATOM 570 CB SER A 40 -4.844 -10.088 9.354 1.00 0.00 C ATOM 571 OG SER A 40 -5.931 -10.832 9.875 1.00 0.00 O ATOM 0 H SER A 40 -3.631 -11.510 11.252 1.00 0.00 H new ATOM 0 HA SER A 40 -3.269 -8.818 10.075 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.221 -9.241 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.271 -10.709 8.666 1.00 0.00 H new ATOM 0 HG SER A 40 -6.500 -11.140 9.139 1.00 0.00 H new ATOM 577 N SER A 41 -5.168 -9.802 12.549 1.00 0.00 N ATOM 578 CA SER A 41 -5.978 -9.342 13.671 1.00 0.00 C ATOM 579 C SER A 41 -5.295 -8.188 14.398 1.00 0.00 C ATOM 580 O SER A 41 -5.931 -7.450 15.151 1.00 0.00 O ATOM 581 CB SER A 41 -6.237 -10.493 14.646 1.00 0.00 C ATOM 582 OG SER A 41 -5.045 -10.877 15.309 1.00 0.00 O ATOM 0 H SER A 41 -4.943 -10.797 12.571 1.00 0.00 H new ATOM 0 HA SER A 41 -6.931 -8.987 13.278 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.984 -10.191 15.380 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.648 -11.346 14.106 1.00 0.00 H new ATOM 0 HG SER A 41 -5.237 -11.613 15.927 1.00 0.00 H new ATOM 588 N ASP A 42 -3.995 -8.040 14.168 1.00 0.00 N ATOM 589 CA ASP A 42 -3.223 -6.976 14.800 1.00 0.00 C ATOM 590 C ASP A 42 -2.912 -5.864 13.802 1.00 0.00 C ATOM 591 O ASP A 42 -2.742 -4.706 14.181 1.00 0.00 O ATOM 592 CB ASP A 42 -1.923 -7.535 15.380 1.00 0.00 C ATOM 593 CG ASP A 42 -2.170 -8.558 16.472 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.271 -8.156 17.650 1.00 0.00 O ATOM 595 OD2 ASP A 42 -2.263 -9.760 16.148 1.00 0.00 O ATOM 0 H ASP A 42 -3.454 -8.643 13.549 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.822 -6.558 15.609 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.340 -7.994 14.582 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.326 -6.716 15.781 1.00 0.00 H new ATOM 600 N MET A 43 -2.838 -6.226 12.525 1.00 0.00 N ATOM 601 CA MET A 43 -2.548 -5.259 11.473 1.00 0.00 C ATOM 602 C MET A 43 -3.793 -4.453 11.116 1.00 0.00 C ATOM 603 O MET A 43 -4.876 -4.700 11.646 1.00 0.00 O ATOM 604 CB MET A 43 -2.014 -5.972 10.229 1.00 0.00 C ATOM 605 CG MET A 43 -0.529 -6.289 10.301 1.00 0.00 C ATOM 606 SD MET A 43 0.215 -6.505 8.673 1.00 0.00 S ATOM 607 CE MET A 43 -0.685 -7.934 8.076 1.00 0.00 C ATOM 0 H MET A 43 -2.975 -7.181 12.194 1.00 0.00 H new ATOM 0 HA MET A 43 -1.787 -4.573 11.845 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.569 -6.899 10.086 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.202 -5.349 9.354 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.015 -5.485 10.827 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.383 -7.197 10.886 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.009 -8.786 8.003 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.493 -8.170 8.768 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.102 -7.717 7.093 1.00 0.00 H new ATOM 617 N SER A 44 -3.631 -3.489 10.216 1.00 0.00 N ATOM 618 CA SER A 44 -4.741 -2.644 9.791 1.00 0.00 C ATOM 619 C SER A 44 -4.512 -2.115 8.379 1.00 0.00 C ATOM 620 O SER A 44 -3.432 -1.621 8.057 1.00 0.00 O ATOM 621 CB SER A 44 -4.921 -1.477 10.763 1.00 0.00 C ATOM 622 OG SER A 44 -3.772 -0.648 10.784 1.00 0.00 O ATOM 0 H SER A 44 -2.741 -3.273 9.767 1.00 0.00 H new ATOM 0 HA SER A 44 -5.647 -3.250 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.792 -0.889 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.115 -1.861 11.765 1.00 0.00 H new ATOM 0 HG SER A 44 -3.243 -0.802 9.974 1.00 0.00 H new ATOM 628 N ALA A 45 -5.537 -2.222 7.540 1.00 0.00 N ATOM 629 CA ALA A 45 -5.450 -1.753 6.163 1.00 0.00 C ATOM 630 C ALA A 45 -6.467 -0.649 5.894 1.00 0.00 C ATOM 631 O ALA A 45 -7.659 -0.812 6.155 1.00 0.00 O ATOM 632 CB ALA A 45 -5.656 -2.910 5.197 1.00 0.00 C ATOM 0 H ALA A 45 -6.438 -2.630 7.790 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.454 -1.339 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.588 -2.545 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.888 -3.665 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.640 -3.350 5.361 1.00 0.00 H new ATOM 638 N HIS A 46 -5.988 0.476 5.371 1.00 0.00 N ATOM 639 CA HIS A 46 -6.857 1.607 5.066 1.00 0.00 C ATOM 640 C HIS A 46 -6.326 2.393 3.871 1.00 0.00 C ATOM 641 O HIS A 46 -5.147 2.744 3.820 1.00 0.00 O ATOM 642 CB HIS A 46 -6.978 2.526 6.282 1.00 0.00 C ATOM 643 CG HIS A 46 -7.757 1.924 7.412 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.238 0.965 8.256 1.00 0.00 N ATOM 645 CD2 HIS A 46 -9.022 2.152 7.836 1.00 0.00 C ATOM 646 CE1 HIS A 46 -8.152 0.627 9.149 1.00 0.00 C ATOM 647 NE2 HIS A 46 -9.243 1.334 8.916 1.00 0.00 N ATOM 0 H HIS A 46 -5.004 0.628 5.150 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.844 1.218 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.979 2.781 6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.456 3.457 5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.726 2.848 7.405 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.028 -0.103 9.935 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.109 1.281 9.452 1.00 0.00 H new ATOM 655 N VAL A 47 -7.204 2.666 2.911 1.00 0.00 N ATOM 656 CA VAL A 47 -6.824 3.411 1.717 1.00 0.00 C ATOM 657 C VAL A 47 -6.939 4.913 1.946 1.00 0.00 C ATOM 658 O VAL A 47 -8.040 5.452 2.069 1.00 0.00 O ATOM 659 CB VAL A 47 -7.696 3.018 0.509 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.301 3.824 -0.719 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.586 1.526 0.236 1.00 0.00 C ATOM 0 H VAL A 47 -8.183 2.382 2.937 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.785 3.158 1.504 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.736 3.245 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.927 3.533 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.436 4.886 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.256 3.631 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.208 1.266 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.548 1.271 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.923 0.970 1.111 1.00 0.00 H new ATOM 671 N THR A 48 -5.795 5.588 2.002 1.00 0.00 N ATOM 672 CA THR A 48 -5.767 7.029 2.218 1.00 0.00 C ATOM 673 C THR A 48 -6.022 7.784 0.918 1.00 0.00 C ATOM 674 O THR A 48 -5.597 7.354 -0.154 1.00 0.00 O ATOM 675 CB THR A 48 -4.417 7.483 2.805 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.083 6.680 3.943 1.00 0.00 O ATOM 677 CG2 THR A 48 -4.469 8.948 3.211 1.00 0.00 C ATOM 0 H THR A 48 -4.875 5.159 1.901 1.00 0.00 H new ATOM 0 HA THR A 48 -6.560 7.258 2.930 1.00 0.00 H new ATOM 0 HB THR A 48 -3.653 7.361 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.179 6.319 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.505 9.246 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.695 9.560 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.244 9.090 3.964 1.00 0.00 H new ATOM 685 N SER A 49 -6.719 8.911 1.021 1.00 0.00 N ATOM 686 CA SER A 49 -7.033 9.725 -0.147 1.00 0.00 C ATOM 687 C SER A 49 -6.043 10.877 -0.289 1.00 0.00 C ATOM 688 O SER A 49 -5.437 11.332 0.681 1.00 0.00 O ATOM 689 CB SER A 49 -8.458 10.272 -0.045 1.00 0.00 C ATOM 690 OG SER A 49 -9.413 9.229 -0.137 1.00 0.00 O ATOM 0 H SER A 49 -7.077 9.281 1.902 1.00 0.00 H new ATOM 0 HA SER A 49 -6.956 9.092 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.581 10.800 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.630 10.998 -0.840 1.00 0.00 H new ATOM 0 HG SER A 49 -9.262 8.719 -0.960 1.00 0.00 H new ATOM 696 N PRO A 50 -5.874 11.361 -1.529 1.00 0.00 N ATOM 697 CA PRO A 50 -4.959 12.467 -1.829 1.00 0.00 C ATOM 698 C PRO A 50 -5.454 13.797 -1.271 1.00 0.00 C ATOM 699 O PRO A 50 -4.756 14.808 -1.341 1.00 0.00 O ATOM 700 CB PRO A 50 -4.937 12.503 -3.359 1.00 0.00 C ATOM 701 CG PRO A 50 -6.238 11.905 -3.771 1.00 0.00 C ATOM 702 CD PRO A 50 -6.564 10.867 -2.732 1.00 0.00 C ATOM 0 HA PRO A 50 -3.978 12.318 -1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.835 13.523 -3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.096 11.934 -3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.018 12.665 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.165 11.456 -4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.639 10.782 -2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.206 9.880 -3.024 1.00 0.00 H new ATOM 710 N SER A 51 -6.662 13.788 -0.717 1.00 0.00 N ATOM 711 CA SER A 51 -7.251 14.995 -0.150 1.00 0.00 C ATOM 712 C SER A 51 -7.159 14.981 1.373 1.00 0.00 C ATOM 713 O SER A 51 -7.088 16.030 2.012 1.00 0.00 O ATOM 714 CB SER A 51 -8.713 15.126 -0.582 1.00 0.00 C ATOM 715 OG SER A 51 -9.486 14.039 -0.105 1.00 0.00 O ATOM 0 H SER A 51 -7.252 12.959 -0.649 1.00 0.00 H new ATOM 0 HA SER A 51 -6.691 15.852 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.124 16.062 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.772 15.168 -1.670 1.00 0.00 H new ATOM 0 HG SER A 51 -10.416 14.148 -0.393 1.00 0.00 H new ATOM 721 N GLY A 52 -7.163 13.782 1.949 1.00 0.00 N ATOM 722 CA GLY A 52 -7.079 13.652 3.392 1.00 0.00 C ATOM 723 C GLY A 52 -7.973 12.551 3.927 1.00 0.00 C ATOM 724 O GLY A 52 -7.676 11.947 4.958 1.00 0.00 O ATOM 0 H GLY A 52 -7.223 12.899 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.047 13.448 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.356 14.599 3.856 1.00 0.00 H new ATOM 728 N ARG A 53 -9.071 12.289 3.226 1.00 0.00 N ATOM 729 CA ARG A 53 -10.013 11.255 3.639 1.00 0.00 C ATOM 730 C ARG A 53 -9.322 9.898 3.735 1.00 0.00 C ATOM 731 O ARG A 53 -8.297 9.664 3.094 1.00 0.00 O ATOM 732 CB ARG A 53 -11.180 11.176 2.654 1.00 0.00 C ATOM 733 CG ARG A 53 -12.346 12.081 3.018 1.00 0.00 C ATOM 734 CD ARG A 53 -13.088 11.569 4.242 1.00 0.00 C ATOM 735 NE ARG A 53 -12.484 12.041 5.485 1.00 0.00 N ATOM 736 CZ ARG A 53 -12.747 11.515 6.676 1.00 0.00 C ATOM 737 NH1 ARG A 53 -13.599 10.505 6.785 1.00 0.00 N ATOM 738 NH2 ARG A 53 -12.158 12.000 7.762 1.00 0.00 N ATOM 0 H ARG A 53 -9.331 12.778 2.369 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.396 11.520 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.823 11.440 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.533 10.146 2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.979 13.089 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.034 12.146 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.128 11.894 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.094 10.479 4.233 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.824 12.817 5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.054 10.130 5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.799 10.103 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.503 12.778 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.361 11.595 8.676 1.00 0.00 H new ATOM 752 N VAL A 54 -9.889 9.006 4.541 1.00 0.00 N ATOM 753 CA VAL A 54 -9.329 7.672 4.721 1.00 0.00 C ATOM 754 C VAL A 54 -10.415 6.605 4.648 1.00 0.00 C ATOM 755 O VAL A 54 -11.524 6.795 5.150 1.00 0.00 O ATOM 756 CB VAL A 54 -8.594 7.549 6.069 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.007 6.156 6.233 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.510 8.611 6.183 1.00 0.00 C ATOM 0 H VAL A 54 -10.737 9.183 5.080 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.616 7.517 3.911 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.314 7.709 6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.492 6.089 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.808 5.417 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.300 5.962 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.001 8.510 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.790 8.484 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.962 9.601 6.115 1.00 0.00 H new ATOM 768 N THR A 55 -10.090 5.480 4.019 1.00 0.00 N ATOM 769 CA THR A 55 -11.038 4.381 3.879 1.00 0.00 C ATOM 770 C THR A 55 -10.548 3.136 4.609 1.00 0.00 C ATOM 771 O THR A 55 -9.354 2.987 4.866 1.00 0.00 O ATOM 772 CB THR A 55 -11.279 4.033 2.398 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.252 5.225 1.604 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.616 3.329 2.219 1.00 0.00 C ATOM 0 H THR A 55 -9.177 5.306 3.598 1.00 0.00 H new ATOM 0 HA THR A 55 -11.976 4.714 4.324 1.00 0.00 H new ATOM 0 HB THR A 55 -10.485 3.361 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.404 4.995 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.765 3.093 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.623 2.408 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.419 3.981 2.562 1.00 0.00 H new ATOM 782 N GLU A 56 -11.477 2.244 4.938 1.00 0.00 N ATOM 783 CA GLU A 56 -11.138 1.011 5.639 1.00 0.00 C ATOM 784 C GLU A 56 -11.144 -0.177 4.682 1.00 0.00 C ATOM 785 O GLU A 56 -11.984 -0.263 3.787 1.00 0.00 O ATOM 786 CB GLU A 56 -12.121 0.762 6.784 1.00 0.00 C ATOM 787 CG GLU A 56 -11.951 -0.593 7.449 1.00 0.00 C ATOM 788 CD GLU A 56 -12.787 -1.675 6.792 1.00 0.00 C ATOM 789 OE1 GLU A 56 -13.214 -1.472 5.636 1.00 0.00 O ATOM 790 OE2 GLU A 56 -13.013 -2.722 7.433 1.00 0.00 O ATOM 0 H GLU A 56 -12.470 2.352 4.730 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.134 1.121 6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.997 1.543 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.139 0.845 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.900 -0.881 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.227 -0.514 8.501 1.00 0.00 H new ATOM 797 N ALA A 57 -10.199 -1.091 4.877 1.00 0.00 N ATOM 798 CA ALA A 57 -10.095 -2.275 4.033 1.00 0.00 C ATOM 799 C ALA A 57 -10.120 -3.549 4.870 1.00 0.00 C ATOM 800 O ALA A 57 -9.800 -3.529 6.058 1.00 0.00 O ATOM 801 CB ALA A 57 -8.826 -2.217 3.195 1.00 0.00 C ATOM 0 H ALA A 57 -9.494 -1.034 5.612 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.957 -2.292 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.762 -3.108 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.848 -1.330 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.958 -2.172 3.852 1.00 0.00 H new ATOM 807 N GLU A 58 -10.504 -4.657 4.242 1.00 0.00 N ATOM 808 CA GLU A 58 -10.572 -5.940 4.931 1.00 0.00 C ATOM 809 C GLU A 58 -9.429 -6.853 4.497 1.00 0.00 C ATOM 810 O GLU A 58 -8.963 -6.782 3.359 1.00 0.00 O ATOM 811 CB GLU A 58 -11.915 -6.620 4.657 1.00 0.00 C ATOM 812 CG GLU A 58 -12.084 -7.947 5.379 1.00 0.00 C ATOM 813 CD GLU A 58 -13.536 -8.272 5.668 1.00 0.00 C ATOM 814 OE1 GLU A 58 -14.388 -8.021 4.790 1.00 0.00 O ATOM 815 OE2 GLU A 58 -13.822 -8.780 6.773 1.00 0.00 O ATOM 0 H GLU A 58 -10.772 -4.691 3.259 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.478 -5.754 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.720 -5.949 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.018 -6.784 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.651 -8.743 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.528 -7.920 6.316 1.00 0.00 H new ATOM 822 N ILE A 59 -8.982 -7.708 5.410 1.00 0.00 N ATOM 823 CA ILE A 59 -7.895 -8.634 5.121 1.00 0.00 C ATOM 824 C ILE A 59 -8.387 -10.077 5.122 1.00 0.00 C ATOM 825 O ILE A 59 -8.925 -10.561 6.118 1.00 0.00 O ATOM 826 CB ILE A 59 -6.750 -8.494 6.142 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.379 -7.021 6.326 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.539 -9.299 5.694 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.590 -6.749 7.588 1.00 0.00 C ATOM 0 H ILE A 59 -9.356 -7.779 6.356 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.520 -8.381 4.129 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.088 -8.887 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.797 -6.691 5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.291 -6.424 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.739 -9.190 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.812 -10.351 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.197 -8.934 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.362 -5.685 7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.178 -7.047 8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.661 -7.318 7.566 1.00 0.00 H new ATOM 841 N VAL A 60 -8.199 -10.762 3.998 1.00 0.00 N ATOM 842 CA VAL A 60 -8.621 -12.151 3.869 1.00 0.00 C ATOM 843 C VAL A 60 -7.474 -13.105 4.181 1.00 0.00 C ATOM 844 O VAL A 60 -6.357 -12.957 3.684 1.00 0.00 O ATOM 845 CB VAL A 60 -9.149 -12.448 2.453 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.623 -13.890 2.351 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.268 -11.483 2.089 1.00 0.00 C ATOM 0 H VAL A 60 -7.757 -10.377 3.163 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.425 -12.305 4.589 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.334 -12.308 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.993 -14.081 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.792 -14.562 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.424 -14.061 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.629 -11.707 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.086 -11.589 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.891 -10.461 2.119 1.00 0.00 H new ATOM 857 N PRO A 61 -7.753 -14.110 5.025 1.00 0.00 N ATOM 858 CA PRO A 61 -6.757 -15.110 5.423 1.00 0.00 C ATOM 859 C PRO A 61 -6.385 -16.045 4.277 1.00 0.00 C ATOM 860 O PRO A 61 -7.204 -16.847 3.828 1.00 0.00 O ATOM 861 CB PRO A 61 -7.460 -15.886 6.540 1.00 0.00 C ATOM 862 CG PRO A 61 -8.914 -15.715 6.262 1.00 0.00 C ATOM 863 CD PRO A 61 -9.062 -14.348 5.656 1.00 0.00 C ATOM 0 HA PRO A 61 -5.818 -14.650 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.176 -16.938 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.196 -15.493 7.522 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.274 -16.485 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.499 -15.801 7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.871 -14.318 4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.286 -13.596 6.412 1.00 0.00 H new ATOM 871 N MET A 62 -5.146 -15.937 3.810 1.00 0.00 N ATOM 872 CA MET A 62 -4.666 -16.775 2.717 1.00 0.00 C ATOM 873 C MET A 62 -4.099 -18.088 3.248 1.00 0.00 C ATOM 874 O MET A 62 -4.719 -19.142 3.114 1.00 0.00 O ATOM 875 CB MET A 62 -3.598 -16.035 1.909 1.00 0.00 C ATOM 876 CG MET A 62 -4.171 -15.151 0.813 1.00 0.00 C ATOM 877 SD MET A 62 -2.965 -14.773 -0.474 1.00 0.00 S ATOM 878 CE MET A 62 -3.816 -15.387 -1.926 1.00 0.00 C ATOM 0 H MET A 62 -4.456 -15.278 4.171 1.00 0.00 H new ATOM 0 HA MET A 62 -5.511 -17.001 2.067 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.002 -15.422 2.585 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.923 -16.764 1.461 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.032 -15.646 0.365 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.531 -14.221 1.253 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.195 -15.225 -2.807 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.010 -16.453 -1.810 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.761 -14.857 -2.045 1.00 0.00 H new ATOM 888 N GLY A 63 -2.916 -18.016 3.850 1.00 0.00 N ATOM 889 CA GLY A 63 -2.285 -19.206 4.391 1.00 0.00 C ATOM 890 C GLY A 63 -1.150 -18.880 5.342 1.00 0.00 C ATOM 891 O GLY A 63 -1.266 -17.980 6.174 1.00 0.00 O ATOM 0 H GLY A 63 -2.383 -17.155 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.032 -19.804 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.904 -19.816 3.572 1.00 0.00 H new ATOM 895 N LYS A 64 -0.050 -19.614 5.220 1.00 0.00 N ATOM 896 CA LYS A 64 1.112 -19.400 6.075 1.00 0.00 C ATOM 897 C LYS A 64 1.886 -18.160 5.640 1.00 0.00 C ATOM 898 O LYS A 64 2.486 -18.136 4.566 1.00 0.00 O ATOM 899 CB LYS A 64 2.029 -20.624 6.041 1.00 0.00 C ATOM 900 CG LYS A 64 2.208 -21.212 4.652 1.00 0.00 C ATOM 901 CD LYS A 64 3.405 -22.145 4.591 1.00 0.00 C ATOM 902 CE LYS A 64 3.663 -22.630 3.173 1.00 0.00 C ATOM 903 NZ LYS A 64 2.920 -23.886 2.872 1.00 0.00 N ATOM 0 H LYS A 64 0.062 -20.363 4.537 1.00 0.00 H new ATOM 0 HA LYS A 64 0.758 -19.247 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.006 -20.347 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.623 -21.390 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.307 -21.756 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.336 -20.407 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.289 -21.629 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.234 -23.001 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.368 -21.855 2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.731 -22.798 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.122 -24.184 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.219 -24.633 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.899 -23.719 2.978 1.00 0.00 H new ATOM 917 N ASN A 65 1.869 -17.132 6.483 1.00 0.00 N ATOM 918 CA ASN A 65 2.571 -15.888 6.185 1.00 0.00 C ATOM 919 C ASN A 65 2.054 -15.269 4.890 1.00 0.00 C ATOM 920 O ASN A 65 2.810 -14.649 4.141 1.00 0.00 O ATOM 921 CB ASN A 65 4.076 -16.141 6.078 1.00 0.00 C ATOM 922 CG ASN A 65 4.621 -16.902 7.271 1.00 0.00 C ATOM 923 OD1 ASN A 65 4.089 -16.807 8.377 1.00 0.00 O ATOM 924 ND2 ASN A 65 5.688 -17.661 7.051 1.00 0.00 N ATOM 0 H ASN A 65 1.377 -17.136 7.377 1.00 0.00 H new ATOM 0 HA ASN A 65 2.384 -15.189 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.283 -16.702 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.597 -15.187 5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.100 -18.196 7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.096 -17.709 6.117 1.00 0.00 H new ATOM 931 N SER A 66 0.762 -15.441 4.632 1.00 0.00 N ATOM 932 CA SER A 66 0.144 -14.902 3.426 1.00 0.00 C ATOM 933 C SER A 66 -1.131 -14.136 3.764 1.00 0.00 C ATOM 934 O SER A 66 -1.870 -14.510 4.676 1.00 0.00 O ATOM 935 CB SER A 66 -0.171 -16.030 2.441 1.00 0.00 C ATOM 936 OG SER A 66 -0.890 -15.543 1.321 1.00 0.00 O ATOM 0 H SER A 66 0.122 -15.950 5.242 1.00 0.00 H new ATOM 0 HA SER A 66 0.850 -14.212 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.757 -16.495 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.753 -16.803 2.943 1.00 0.00 H new ATOM 0 HG SER A 66 -0.940 -16.241 0.635 1.00 0.00 H new ATOM 942 N HIS A 67 -1.383 -13.062 3.024 1.00 0.00 N ATOM 943 CA HIS A 67 -2.569 -12.242 3.244 1.00 0.00 C ATOM 944 C HIS A 67 -3.013 -11.570 1.948 1.00 0.00 C ATOM 945 O HIS A 67 -2.191 -11.043 1.197 1.00 0.00 O ATOM 946 CB HIS A 67 -2.293 -11.184 4.312 1.00 0.00 C ATOM 947 CG HIS A 67 -2.127 -11.751 5.689 1.00 0.00 C ATOM 948 ND1 HIS A 67 -3.192 -12.094 6.495 1.00 0.00 N ATOM 949 CD2 HIS A 67 -1.012 -12.037 6.400 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.739 -12.564 7.643 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.419 -12.541 7.611 1.00 0.00 N ATOM 0 H HIS A 67 -0.782 -12.739 2.266 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.372 -12.894 3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.391 -10.635 4.043 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.113 -10.466 4.320 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.008 -11.895 6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.345 -12.909 8.468 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.802 -12.848 8.363 1.00 0.00 H new ATOM 959 N CYS A 68 -4.317 -11.592 1.693 1.00 0.00 N ATOM 960 CA CYS A 68 -4.870 -10.986 0.487 1.00 0.00 C ATOM 961 C CYS A 68 -5.928 -9.946 0.837 1.00 0.00 C ATOM 962 O CYS A 68 -6.948 -10.264 1.450 1.00 0.00 O ATOM 963 CB CYS A 68 -5.473 -12.061 -0.418 1.00 0.00 C ATOM 964 SG CYS A 68 -5.406 -11.665 -2.181 1.00 0.00 S ATOM 0 H CYS A 68 -5.010 -12.023 2.305 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.059 -10.487 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.948 -13.001 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.513 -12.220 -0.132 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.938 -12.635 -2.864 1.00 0.00 H new ATOM 970 N VAL A 69 -5.679 -8.700 0.446 1.00 0.00 N ATOM 971 CA VAL A 69 -6.611 -7.612 0.719 1.00 0.00 C ATOM 972 C VAL A 69 -7.487 -7.321 -0.494 1.00 0.00 C ATOM 973 O VAL A 69 -6.996 -7.231 -1.620 1.00 0.00 O ATOM 974 CB VAL A 69 -5.867 -6.325 1.123 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.811 -5.133 1.099 1.00 0.00 C ATOM 976 CG2 VAL A 69 -5.232 -6.485 2.496 1.00 0.00 C ATOM 0 H VAL A 69 -4.840 -8.419 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.241 -7.935 1.548 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.072 -6.143 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.268 -4.233 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.214 -5.008 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.629 -5.303 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.711 -5.566 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.007 -6.692 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.522 -7.312 2.474 1.00 0.00 H new ATOM 986 N ARG A 70 -8.786 -7.173 -0.257 1.00 0.00 N ATOM 987 CA ARG A 70 -9.731 -6.892 -1.331 1.00 0.00 C ATOM 988 C ARG A 70 -10.511 -5.612 -1.047 1.00 0.00 C ATOM 989 O ARG A 70 -11.177 -5.492 -0.019 1.00 0.00 O ATOM 990 CB ARG A 70 -10.700 -8.064 -1.505 1.00 0.00 C ATOM 991 CG ARG A 70 -10.012 -9.380 -1.826 1.00 0.00 C ATOM 992 CD ARG A 70 -10.976 -10.552 -1.724 1.00 0.00 C ATOM 993 NE ARG A 70 -10.604 -11.646 -2.617 1.00 0.00 N ATOM 994 CZ ARG A 70 -11.412 -12.656 -2.918 1.00 0.00 C ATOM 995 NH1 ARG A 70 -12.631 -12.711 -2.401 1.00 0.00 N ATOM 996 NH2 ARG A 70 -11.001 -13.614 -3.739 1.00 0.00 N ATOM 0 H ARG A 70 -9.208 -7.243 0.669 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.166 -6.756 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.282 -8.182 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.404 -7.827 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.594 -9.338 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.178 -9.533 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.998 -10.915 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.984 -10.214 -1.965 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.672 -11.634 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.951 -11.976 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.249 -13.488 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.064 -13.575 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.622 -14.389 -3.970 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.423 -4.656 -1.966 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.119 -3.383 -1.815 1.00 0.00 C ATOM 1012 C PHE A 71 -11.257 -2.676 -3.160 1.00 0.00 C ATOM 1013 O PHE A 71 -10.632 -3.066 -4.147 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.372 -2.484 -0.828 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.946 -2.218 -1.219 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.651 -1.513 -2.374 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -7.902 -2.673 -0.431 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -7.340 -1.268 -2.736 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.589 -2.431 -0.788 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.308 -1.726 -1.942 1.00 0.00 C ATOM 0 H PHE A 71 -9.877 -4.739 -2.823 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.117 -3.586 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.900 -1.534 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.389 -2.948 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.454 -1.151 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.116 -3.223 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.123 -0.718 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.784 -2.793 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.283 -1.534 -2.222 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.081 -1.633 -3.192 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.303 -0.870 -4.414 1.00 0.00 C ATOM 1032 C VAL A 72 -11.533 0.445 -4.388 1.00 0.00 C ATOM 1033 O VAL A 72 -11.985 1.447 -3.834 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.799 -0.573 -4.627 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.019 0.137 -5.954 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.612 -1.857 -4.558 1.00 0.00 C ATOM 0 H VAL A 72 -12.606 -1.297 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.942 -1.483 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.138 0.088 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.082 0.339 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.468 1.077 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.665 -0.495 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.667 -1.628 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.274 -2.544 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.479 -2.320 -3.580 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.340 0.445 -5.002 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.481 1.631 -5.064 1.00 0.00 C ATOM 1048 C PRO A 73 -10.056 2.716 -5.968 1.00 0.00 C ATOM 1049 O PRO A 73 -9.658 2.847 -7.125 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.171 1.091 -5.643 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.569 -0.117 -6.418 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.738 -0.714 -5.683 1.00 0.00 C ATOM 0 HA PRO A 73 -9.368 2.104 -4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.686 1.829 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.463 0.839 -4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.844 0.147 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.745 -0.828 -6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.442 -1.189 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.419 -1.477 -4.973 1.00 0.00 H new ATOM 1060 N GLN A 74 -10.994 3.491 -5.432 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.623 4.565 -6.192 1.00 0.00 C ATOM 1062 C GLN A 74 -11.373 5.917 -5.533 1.00 0.00 C ATOM 1063 O GLN A 74 -11.869 6.187 -4.440 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.127 4.316 -6.317 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.786 3.900 -5.012 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.293 3.792 -5.127 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.854 3.914 -6.217 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.959 3.561 -4.002 1.00 0.00 N ATOM 0 H GLN A 74 -11.335 3.395 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.180 4.579 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.608 5.223 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.297 3.540 -7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.380 2.939 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.536 4.624 -4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.454 3.467 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.975 3.478 -4.019 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.599 6.764 -6.206 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.282 8.088 -5.684 1.00 0.00 C ATOM 1079 C GLU A 75 -10.243 9.120 -6.807 1.00 0.00 C ATOM 1080 O GLU A 75 -10.296 8.772 -7.986 1.00 0.00 O ATOM 1081 CB GLU A 75 -8.939 8.064 -4.951 1.00 0.00 C ATOM 1082 CG GLU A 75 -8.759 9.213 -3.973 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.992 9.455 -3.124 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -10.337 8.570 -2.314 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -10.611 10.530 -3.270 1.00 0.00 O ATOM 0 H GLU A 75 -10.181 6.557 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.066 8.371 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.846 7.121 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.134 8.093 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.910 9.002 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.519 10.121 -4.526 1.00 0.00 H new ATOM 1092 N MET A 76 -10.149 10.392 -6.431 1.00 0.00 N ATOM 1093 CA MET A 76 -10.101 11.475 -7.407 1.00 0.00 C ATOM 1094 C MET A 76 -8.660 11.882 -7.697 1.00 0.00 C ATOM 1095 O MET A 76 -8.411 12.826 -8.445 1.00 0.00 O ATOM 1096 CB MET A 76 -10.893 12.682 -6.899 1.00 0.00 C ATOM 1097 CG MET A 76 -12.374 12.400 -6.707 1.00 0.00 C ATOM 1098 SD MET A 76 -13.330 12.652 -8.214 1.00 0.00 S ATOM 1099 CE MET A 76 -13.486 14.436 -8.223 1.00 0.00 C ATOM 0 H MET A 76 -10.105 10.698 -5.459 1.00 0.00 H new ATOM 0 HA MET A 76 -10.551 11.117 -8.333 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.468 13.012 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.777 13.505 -7.604 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.503 11.372 -6.367 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.764 13.047 -5.921 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.490 14.712 -8.547 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.310 14.822 -7.219 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.753 14.862 -8.909 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.715 11.163 -7.099 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.311 11.466 -7.306 1.00 0.00 C ATOM 1111 C GLY A 77 -5.423 10.251 -7.125 1.00 0.00 C ATOM 1112 O GLY A 77 -5.723 9.172 -7.636 1.00 0.00 O ATOM 0 H GLY A 77 -7.897 10.377 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.173 11.867 -8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.004 12.244 -6.607 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.324 10.426 -6.397 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.389 9.335 -6.150 1.00 0.00 C ATOM 1118 C VAL A 78 -3.901 8.410 -5.051 1.00 0.00 C ATOM 1119 O VAL A 78 -4.602 8.844 -4.136 1.00 0.00 O ATOM 1120 CB VAL A 78 -1.999 9.867 -5.752 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -2.087 10.687 -4.474 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.016 8.717 -5.590 1.00 0.00 C ATOM 0 H VAL A 78 -4.060 11.313 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.303 8.775 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.636 10.517 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.096 11.054 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.758 11.532 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.471 10.063 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.039 9.110 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.372 8.041 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.931 8.175 -6.532 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.547 7.133 -5.148 1.00 0.00 N ATOM 1133 CA HIS A 79 -3.970 6.145 -4.161 1.00 0.00 C ATOM 1134 C HIS A 79 -2.788 5.682 -3.315 1.00 0.00 C ATOM 1135 O HIS A 79 -1.700 5.427 -3.834 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.617 4.946 -4.854 1.00 0.00 C ATOM 1137 CG HIS A 79 -5.836 5.299 -5.649 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -5.922 6.432 -6.430 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.022 4.661 -5.782 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.110 6.476 -7.008 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -7.796 5.413 -6.631 1.00 0.00 N ATOM 0 H HIS A 79 -2.969 6.758 -5.900 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.702 6.614 -3.504 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.885 4.480 -5.514 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.886 4.204 -4.102 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.307 3.733 -5.308 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.460 7.250 -7.675 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.747 5.187 -6.923 1.00 0.00 H new ATOM 1149 N THR A 80 -3.007 5.577 -2.008 1.00 0.00 N ATOM 1150 CA THR A 80 -1.960 5.147 -1.089 1.00 0.00 C ATOM 1151 C THR A 80 -2.511 4.194 -0.035 1.00 0.00 C ATOM 1152 O THR A 80 -3.443 4.531 0.695 1.00 0.00 O ATOM 1153 CB THR A 80 -1.302 6.348 -0.385 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.237 7.465 -1.279 1.00 0.00 O ATOM 1155 CG2 THR A 80 0.097 5.994 0.096 1.00 0.00 C ATOM 0 H THR A 80 -3.901 5.784 -1.562 1.00 0.00 H new ATOM 0 HA THR A 80 -1.209 4.629 -1.686 1.00 0.00 H new ATOM 0 HB THR A 80 -1.910 6.611 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.819 8.225 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.541 6.858 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.041 5.163 0.799 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.713 5.707 -0.756 1.00 0.00 H new ATOM 1163 N VAL A 81 -1.928 3.001 0.041 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.360 1.999 1.007 1.00 0.00 C ATOM 1165 C VAL A 81 -1.559 2.103 2.301 1.00 0.00 C ATOM 1166 O VAL A 81 -0.363 1.813 2.327 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.217 0.574 0.441 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.551 -0.460 1.505 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.102 0.397 -0.783 1.00 0.00 C ATOM 0 H VAL A 81 -1.155 2.706 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.412 2.194 1.216 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.181 0.425 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.444 -1.461 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.871 -0.346 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.577 -0.316 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.989 -0.616 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.143 0.566 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.809 1.114 -1.550 1.00 0.00 H new ATOM 1179 N SER A 82 -2.228 2.516 3.373 1.00 0.00 N ATOM 1180 CA SER A 82 -1.578 2.662 4.670 1.00 0.00 C ATOM 1181 C SER A 82 -1.627 1.352 5.452 1.00 0.00 C ATOM 1182 O SER A 82 -2.654 1.001 6.033 1.00 0.00 O ATOM 1183 CB SER A 82 -2.246 3.776 5.477 1.00 0.00 C ATOM 1184 OG SER A 82 -1.869 5.053 4.992 1.00 0.00 O ATOM 0 H SER A 82 -3.220 2.755 3.369 1.00 0.00 H new ATOM 0 HA SER A 82 -0.534 2.924 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.329 3.669 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.968 3.686 6.527 1.00 0.00 H new ATOM 0 HG SER A 82 -2.311 5.748 5.523 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.509 0.633 5.460 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.423 -0.637 6.170 1.00 0.00 C ATOM 1192 C VAL A 83 0.424 -0.506 7.431 1.00 0.00 C ATOM 1193 O VAL A 83 1.649 -0.394 7.361 1.00 0.00 O ATOM 1194 CB VAL A 83 0.174 -1.741 5.277 1.00 0.00 C ATOM 1195 CG1 VAL A 83 0.319 -3.039 6.056 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.685 -1.946 4.038 1.00 0.00 C ATOM 0 H VAL A 83 0.349 0.909 4.983 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.440 -0.914 6.446 1.00 0.00 H new ATOM 0 HB VAL A 83 1.167 -1.426 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.742 -3.807 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.979 -2.880 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.660 -3.362 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.249 -2.729 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.691 -2.238 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.731 -1.017 3.469 1.00 0.00 H new ATOM 1206 N LYS A 84 -0.235 -0.520 8.584 1.00 0.00 N ATOM 1207 CA LYS A 84 0.457 -0.404 9.863 1.00 0.00 C ATOM 1208 C LYS A 84 0.352 -1.702 10.658 1.00 0.00 C ATOM 1209 O LYS A 84 -0.664 -2.395 10.601 1.00 0.00 O ATOM 1210 CB LYS A 84 -0.125 0.753 10.678 1.00 0.00 C ATOM 1211 CG LYS A 84 0.130 2.118 10.062 1.00 0.00 C ATOM 1212 CD LYS A 84 -0.480 3.230 10.900 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.777 4.463 10.059 1.00 0.00 C ATOM 1214 NZ LYS A 84 -1.882 4.221 9.091 1.00 0.00 N ATOM 0 H LYS A 84 -1.248 -0.611 8.660 1.00 0.00 H new ATOM 0 HA LYS A 84 1.510 -0.205 9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.200 0.607 10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.301 0.731 11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.204 2.280 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.288 2.148 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.400 2.874 11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.203 3.495 11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.043 5.293 10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.122 4.759 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.696 4.746 8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.942 3.204 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.781 4.543 9.503 1.00 0.00 H new ATOM 1228 N TYR A 85 1.407 -2.023 11.398 1.00 0.00 N ATOM 1229 CA TYR A 85 1.434 -3.239 12.203 1.00 0.00 C ATOM 1230 C TYR A 85 1.612 -2.908 13.682 1.00 0.00 C ATOM 1231 O TYR A 85 2.733 -2.744 14.162 1.00 0.00 O ATOM 1232 CB TYR A 85 2.562 -4.160 11.736 1.00 0.00 C ATOM 1233 CG TYR A 85 2.766 -5.366 12.626 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.699 -6.183 12.977 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.026 -5.687 13.116 1.00 0.00 C ATOM 1236 CE1 TYR A 85 1.880 -7.285 13.790 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.217 -6.788 13.928 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.141 -7.584 14.262 1.00 0.00 C ATOM 1239 OH TYR A 85 3.327 -8.681 15.072 1.00 0.00 O ATOM 0 H TYR A 85 2.255 -1.459 11.457 1.00 0.00 H new ATOM 0 HA TYR A 85 0.480 -3.751 12.075 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.347 -4.499 10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.490 -3.590 11.692 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.711 -5.953 12.608 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.870 -5.065 12.858 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.039 -7.909 14.055 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.203 -7.024 14.299 1.00 0.00 H new ATOM 0 HH TYR A 85 4.274 -8.751 15.316 1.00 0.00 H new ATOM 1249 N ARG A 86 0.496 -2.813 14.398 1.00 0.00 N ATOM 1250 CA ARG A 86 0.527 -2.502 15.822 1.00 0.00 C ATOM 1251 C ARG A 86 1.071 -1.096 16.060 1.00 0.00 C ATOM 1252 O ARG A 86 1.776 -0.849 17.037 1.00 0.00 O ATOM 1253 CB ARG A 86 1.383 -3.524 16.571 1.00 0.00 C ATOM 1254 CG ARG A 86 0.930 -4.961 16.371 1.00 0.00 C ATOM 1255 CD ARG A 86 1.585 -5.897 17.375 1.00 0.00 C ATOM 1256 NE ARG A 86 1.358 -5.468 18.752 1.00 0.00 N ATOM 1257 CZ ARG A 86 1.971 -6.006 19.801 1.00 0.00 C ATOM 1258 NH1 ARG A 86 2.844 -6.989 19.629 1.00 0.00 N ATOM 1259 NH2 ARG A 86 1.711 -5.561 21.023 1.00 0.00 N ATOM 0 H ARG A 86 -0.440 -2.947 14.015 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.494 -2.547 16.200 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.418 -3.429 16.242 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.364 -3.291 17.636 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.154 -5.019 16.471 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.174 -5.283 15.359 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.193 -6.905 17.240 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.657 -5.943 17.182 1.00 0.00 H new ATOM 0 HE ARG A 86 0.692 -4.714 18.918 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.046 -7.333 18.690 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.314 -7.401 20.435 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.040 -4.805 21.158 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.182 -5.975 21.827 1.00 0.00 H new ATOM 1273 N GLY A 87 0.738 -0.178 15.158 1.00 0.00 N ATOM 1274 CA GLY A 87 1.202 1.192 15.287 1.00 0.00 C ATOM 1275 C GLY A 87 2.598 1.385 14.730 1.00 0.00 C ATOM 1276 O GLY A 87 3.442 2.020 15.362 1.00 0.00 O ATOM 0 H GLY A 87 0.155 -0.358 14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.512 1.857 14.768 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.191 1.479 16.338 1.00 0.00 H new ATOM 1280 N GLN A 88 2.843 0.836 13.545 1.00 0.00 N ATOM 1281 CA GLN A 88 4.148 0.950 12.905 1.00 0.00 C ATOM 1282 C GLN A 88 4.055 0.631 11.417 1.00 0.00 C ATOM 1283 O GLN A 88 3.718 -0.489 11.031 1.00 0.00 O ATOM 1284 CB GLN A 88 5.153 0.013 13.578 1.00 0.00 C ATOM 1285 CG GLN A 88 5.496 0.411 15.004 1.00 0.00 C ATOM 1286 CD GLN A 88 6.807 -0.186 15.477 1.00 0.00 C ATOM 1287 OE1 GLN A 88 7.032 -1.391 15.360 1.00 0.00 O ATOM 1288 NE2 GLN A 88 7.680 0.657 16.016 1.00 0.00 N ATOM 0 H GLN A 88 2.155 0.308 13.009 1.00 0.00 H new ATOM 0 HA GLN A 88 4.490 1.979 13.016 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.749 -0.999 13.580 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.068 -0.010 12.986 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.551 1.498 15.071 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.694 0.091 15.669 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.451 1.648 16.093 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.579 0.313 16.353 1.00 0.00 H new ATOM 1297 N HIS A 89 4.355 1.623 10.584 1.00 0.00 N ATOM 1298 CA HIS A 89 4.305 1.448 9.137 1.00 0.00 C ATOM 1299 C HIS A 89 5.206 0.298 8.698 1.00 0.00 C ATOM 1300 O HIS A 89 6.409 0.301 8.962 1.00 0.00 O ATOM 1301 CB HIS A 89 4.724 2.738 8.431 1.00 0.00 C ATOM 1302 CG HIS A 89 3.619 3.741 8.311 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.790 3.820 7.212 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.206 4.710 9.161 1.00 0.00 C ATOM 1305 CE1 HIS A 89 1.917 4.795 7.390 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.148 5.351 8.566 1.00 0.00 N ATOM 0 H HIS A 89 4.635 2.556 10.886 1.00 0.00 H new ATOM 0 HA HIS A 89 3.278 1.208 8.860 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.554 3.188 8.976 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.092 2.494 7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.630 4.937 10.128 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.146 5.088 6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.625 6.130 8.967 1.00 0.00 H new ATOM 1314 N VAL A 90 4.617 -0.686 8.026 1.00 0.00 N ATOM 1315 CA VAL A 90 5.366 -1.843 7.549 1.00 0.00 C ATOM 1316 C VAL A 90 6.357 -1.445 6.461 1.00 0.00 C ATOM 1317 O VAL A 90 6.478 -0.270 6.115 1.00 0.00 O ATOM 1318 CB VAL A 90 4.427 -2.933 7.000 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.430 -3.365 8.065 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.708 -2.437 5.754 1.00 0.00 C ATOM 0 H VAL A 90 3.623 -0.705 7.799 1.00 0.00 H new ATOM 0 HA VAL A 90 5.911 -2.242 8.405 1.00 0.00 H new ATOM 0 HB VAL A 90 5.026 -3.801 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.775 -4.136 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.967 -3.762 8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.833 -2.507 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.048 -3.219 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.119 -1.554 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.441 -2.182 4.988 1.00 0.00 H new ATOM 1330 N THR A 91 7.065 -2.434 5.923 1.00 0.00 N ATOM 1331 CA THR A 91 8.046 -2.188 4.874 1.00 0.00 C ATOM 1332 C THR A 91 7.424 -1.432 3.706 1.00 0.00 C ATOM 1333 O THR A 91 6.282 -1.686 3.326 1.00 0.00 O ATOM 1334 CB THR A 91 8.653 -3.505 4.353 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.134 -4.290 5.450 1.00 0.00 O ATOM 1336 CG2 THR A 91 9.792 -3.229 3.383 1.00 0.00 C ATOM 0 H THR A 91 6.977 -3.413 6.197 1.00 0.00 H new ATOM 0 HA THR A 91 8.836 -1.582 5.316 1.00 0.00 H new ATOM 0 HB THR A 91 7.874 -4.056 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.517 -5.126 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.205 -4.173 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.417 -2.656 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.571 -2.660 3.890 1.00 0.00 H new ATOM 1344 N GLY A 92 8.184 -0.500 3.138 1.00 0.00 N ATOM 1345 CA GLY A 92 7.690 0.279 2.017 1.00 0.00 C ATOM 1346 C GLY A 92 6.257 0.732 2.213 1.00 0.00 C ATOM 1347 O GLY A 92 5.448 0.672 1.287 1.00 0.00 O ATOM 0 H GLY A 92 9.133 -0.271 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.328 1.152 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.758 -0.316 1.107 1.00 0.00 H new ATOM 1351 N SER A 93 5.941 1.184 3.422 1.00 0.00 N ATOM 1352 CA SER A 93 4.594 1.644 3.739 1.00 0.00 C ATOM 1353 C SER A 93 4.605 3.112 4.154 1.00 0.00 C ATOM 1354 O SER A 93 5.519 3.587 4.828 1.00 0.00 O ATOM 1355 CB SER A 93 3.990 0.791 4.856 1.00 0.00 C ATOM 1356 OG SER A 93 2.582 0.701 4.724 1.00 0.00 O ATOM 0 H SER A 93 6.600 1.242 4.199 1.00 0.00 H new ATOM 0 HA SER A 93 3.982 1.542 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.425 -0.208 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.241 1.224 5.824 1.00 0.00 H new ATOM 0 HG SER A 93 2.195 0.376 5.564 1.00 0.00 H new ATOM 1362 N PRO A 94 3.563 3.850 3.742 1.00 0.00 N ATOM 1363 CA PRO A 94 2.469 3.296 2.939 1.00 0.00 C ATOM 1364 C PRO A 94 2.908 2.949 1.521 1.00 0.00 C ATOM 1365 O PRO A 94 4.055 3.186 1.141 1.00 0.00 O ATOM 1366 CB PRO A 94 1.437 4.427 2.917 1.00 0.00 C ATOM 1367 CG PRO A 94 2.232 5.669 3.129 1.00 0.00 C ATOM 1368 CD PRO A 94 3.373 5.282 4.029 1.00 0.00 C ATOM 0 HA PRO A 94 2.091 2.363 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.902 4.456 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.690 4.297 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.599 6.064 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.623 6.449 3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.272 5.859 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.133 5.453 5.078 1.00 0.00 H new ATOM 1376 N PHE A 95 1.990 2.386 0.743 1.00 0.00 N ATOM 1377 CA PHE A 95 2.284 2.006 -0.634 1.00 0.00 C ATOM 1378 C PHE A 95 1.524 2.892 -1.617 1.00 0.00 C ATOM 1379 O PHE A 95 0.295 2.864 -1.670 1.00 0.00 O ATOM 1380 CB PHE A 95 1.921 0.538 -0.868 1.00 0.00 C ATOM 1381 CG PHE A 95 2.685 -0.415 0.007 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.947 -0.854 -0.360 1.00 0.00 C ATOM 1383 CD2 PHE A 95 2.140 -0.872 1.196 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.652 -1.731 0.444 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.840 -1.748 2.004 1.00 0.00 C ATOM 1386 CZ PHE A 95 4.097 -2.179 1.626 1.00 0.00 C ATOM 0 H PHE A 95 1.036 2.183 1.042 1.00 0.00 H new ATOM 0 HA PHE A 95 3.353 2.141 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.854 0.404 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.107 0.288 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.385 -0.507 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.157 -0.540 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.635 -2.065 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.405 -2.095 2.930 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.645 -2.866 2.254 1.00 0.00 H new ATOM 1396 N GLN A 96 2.266 3.676 -2.392 1.00 0.00 N ATOM 1397 CA GLN A 96 1.663 4.571 -3.372 1.00 0.00 C ATOM 1398 C GLN A 96 1.512 3.878 -4.722 1.00 0.00 C ATOM 1399 O GLN A 96 2.417 3.178 -5.177 1.00 0.00 O ATOM 1400 CB GLN A 96 2.508 5.837 -3.527 1.00 0.00 C ATOM 1401 CG GLN A 96 1.694 7.073 -3.873 1.00 0.00 C ATOM 1402 CD GLN A 96 2.492 8.096 -4.659 1.00 0.00 C ATOM 1403 OE1 GLN A 96 2.523 8.063 -5.889 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.142 9.011 -3.950 1.00 0.00 N ATOM 0 H GLN A 96 3.285 3.710 -2.360 1.00 0.00 H new ATOM 0 HA GLN A 96 0.672 4.847 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.051 6.018 -2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.253 5.673 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.819 6.777 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.328 7.531 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.088 9.000 -2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.695 9.725 -4.424 1.00 0.00 H new ATOM 1413 N PHE A 97 0.362 4.077 -5.359 1.00 0.00 N ATOM 1414 CA PHE A 97 0.092 3.469 -6.657 1.00 0.00 C ATOM 1415 C PHE A 97 -0.937 4.285 -7.435 1.00 0.00 C ATOM 1416 O PHE A 97 -1.888 4.817 -6.861 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.408 2.034 -6.478 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.756 1.946 -5.823 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -1.874 1.971 -4.443 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.907 1.839 -6.588 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -3.114 1.889 -3.838 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -4.150 1.757 -5.988 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.253 1.783 -4.612 1.00 0.00 C ATOM 0 H PHE A 97 -0.397 4.654 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 97 1.023 3.453 -7.224 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.455 1.550 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.314 1.478 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.987 2.056 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.832 1.819 -7.665 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.192 1.908 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.039 1.673 -6.595 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.223 1.721 -4.141 1.00 0.00 H new ATOM 1433 N THR A 98 -0.739 4.379 -8.746 1.00 0.00 N ATOM 1434 CA THR A 98 -1.647 5.130 -9.604 1.00 0.00 C ATOM 1435 C THR A 98 -2.710 4.220 -10.209 1.00 0.00 C ATOM 1436 O THR A 98 -2.405 3.133 -10.701 1.00 0.00 O ATOM 1437 CB THR A 98 -0.888 5.840 -10.740 1.00 0.00 C ATOM 1438 OG1 THR A 98 0.167 6.643 -10.198 1.00 0.00 O ATOM 1439 CG2 THR A 98 -1.829 6.713 -11.557 1.00 0.00 C ATOM 0 H THR A 98 0.042 3.944 -9.237 1.00 0.00 H new ATOM 0 HA THR A 98 -2.129 5.879 -8.976 1.00 0.00 H new ATOM 0 HB THR A 98 -0.464 5.079 -11.395 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.646 7.090 -10.927 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.270 7.204 -12.353 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.613 6.094 -11.993 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.279 7.467 -10.911 1.00 0.00 H new ATOM 1447 N VAL A 99 -3.960 4.671 -10.171 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.069 3.898 -10.718 1.00 0.00 C ATOM 1449 C VAL A 99 -5.630 4.555 -11.974 1.00 0.00 C ATOM 1450 O VAL A 99 -5.423 5.745 -12.211 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.202 3.736 -9.687 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.317 2.869 -10.252 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.663 3.147 -8.392 1.00 0.00 C ATOM 0 H VAL A 99 -4.230 5.568 -9.767 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.675 2.914 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.615 4.721 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.109 2.765 -9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.721 3.335 -11.151 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.922 1.884 -10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.477 3.039 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.224 2.170 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.902 3.809 -7.980 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.343 3.772 -12.778 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.924 4.295 -14.000 1.00 0.00 C ATOM 1465 C GLY A 100 -7.982 3.376 -14.579 1.00 0.00 C ATOM 1466 O GLY A 100 -7.898 2.153 -14.471 1.00 0.00 O ATOM 0 H GLY A 100 -6.528 2.784 -12.604 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.365 5.271 -13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.136 4.447 -14.737 1.00 0.00 H new