USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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 112 THR OG1 : rot -81:sc= 0.981 USER MOD Set 1.2: A 114 ASN : amide:sc= -0.215 K(o=0.77,f=-5.8!) USER MOD Set 2.1: A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 103 HIS : no HE2:sc= -1.05 X(o=-1.1,f=-1.3) USER MOD Set 3.1: A 44 SER OG : rot 51:sc= -0.517 USER MOD Set 3.2: A 46 THR OG1 : rot 170:sc= -3.1 USER MOD Set 3.3: A 61 LYS NZ :NH3+ -172:sc= 0.0434 (180deg=0) USER MOD Set 3.4: A 63 GLN : amide:sc= -0.09 X(o=-3.7,f=-3.5) USER MOD Single : A 27 SER OG : rot -44:sc= 1.31 USER MOD Single : A 31 HIS : no HD1:sc= 0.221 K(o=0.22,f=-2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc=-0.00254 (180deg=-0.184) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 57 ASN : amide:sc= -0.979 K(o=-0.98,f=-7.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= -0.868 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 78 SER OG : rot 79:sc= -1.74! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.15 F(o=-0.93,f=-0.15) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -135:sc= -10! (180deg=-16.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 165:sc= 0.61 (180deg=0.312) USER MOD Single : A 117 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.26) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN :FLIP amide:sc= -0.0413 F(o=-0.8,f=-0.041) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.799 7.611 7.207 1.00 0.00 N ATOM 288 CA ALA A 21 3.532 7.163 7.760 1.00 0.00 C ATOM 289 C ALA A 21 3.785 6.007 8.729 1.00 0.00 C ATOM 290 O ALA A 21 4.865 5.419 8.732 1.00 0.00 O ATOM 291 CB ALA A 21 2.587 6.775 6.622 1.00 0.00 C ATOM 0 HA ALA A 21 3.053 7.965 8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.637 6.439 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.417 7.639 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.033 5.970 6.037 1.00 0.00 H new ATOM 297 N ALA A 22 2.769 5.714 9.528 1.00 0.00 N ATOM 298 CA ALA A 22 2.867 4.638 10.500 1.00 0.00 C ATOM 299 C ALA A 22 2.656 3.298 9.793 1.00 0.00 C ATOM 300 O ALA A 22 1.861 3.203 8.859 1.00 0.00 O ATOM 301 CB ALA A 22 1.855 4.871 11.624 1.00 0.00 C ATOM 0 H ALA A 22 1.874 6.203 9.522 1.00 0.00 H new ATOM 0 HA ALA A 22 3.858 4.619 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.929 4.064 12.353 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.067 5.822 12.113 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.848 4.893 11.208 1.00 0.00 H new ATOM 307 N VAL A 23 3.382 2.295 10.265 1.00 0.00 N ATOM 308 CA VAL A 23 3.284 0.964 9.690 1.00 0.00 C ATOM 309 C VAL A 23 2.285 0.136 10.501 1.00 0.00 C ATOM 310 O VAL A 23 2.051 0.415 11.675 1.00 0.00 O ATOM 311 CB VAL A 23 4.671 0.323 9.614 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.566 -1.183 9.369 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.528 0.996 8.540 1.00 0.00 C ATOM 0 H VAL A 23 4.041 2.377 11.039 1.00 0.00 H new ATOM 0 HA VAL A 23 2.909 1.016 8.668 1.00 0.00 H new ATOM 0 HB VAL A 23 5.162 0.472 10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.566 -1.614 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.011 -1.647 10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.046 -1.363 8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.509 0.521 8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.042 0.893 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.645 2.053 8.777 1.00 0.00 H new ATOM 323 N ASP A 24 1.724 -0.867 9.841 1.00 0.00 N ATOM 324 CA ASP A 24 0.757 -1.739 10.486 1.00 0.00 C ATOM 325 C ASP A 24 1.496 -2.771 11.340 1.00 0.00 C ATOM 326 O ASP A 24 2.551 -3.265 10.947 1.00 0.00 O ATOM 327 CB ASP A 24 -0.080 -2.493 9.451 1.00 0.00 C ATOM 328 CG ASP A 24 -1.529 -2.018 9.320 1.00 0.00 C ATOM 329 OD1 ASP A 24 -1.745 -0.800 9.500 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.387 -2.883 9.042 1.00 0.00 O ATOM 0 H ASP A 24 1.921 -1.095 8.866 1.00 0.00 H new ATOM 0 HA ASP A 24 0.101 -1.120 11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.405 -2.404 8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.083 -3.552 9.710 1.00 0.00 H new ATOM 335 N PRO A 25 0.896 -3.074 12.522 1.00 0.00 N ATOM 336 CA PRO A 25 1.486 -4.038 13.435 1.00 0.00 C ATOM 337 C PRO A 25 1.285 -5.467 12.927 1.00 0.00 C ATOM 338 O PRO A 25 2.007 -6.379 13.327 1.00 0.00 O ATOM 339 CB PRO A 25 0.808 -3.781 14.771 1.00 0.00 C ATOM 340 CG PRO A 25 -0.460 -3.005 14.452 1.00 0.00 C ATOM 341 CD PRO A 25 -0.355 -2.508 13.020 1.00 0.00 C ATOM 0 HA PRO A 25 2.567 -3.926 13.525 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.576 -4.718 15.278 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.458 -3.212 15.436 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.337 -3.641 14.572 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.578 -2.167 15.139 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.205 -2.839 12.423 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.341 -1.419 12.979 1.00 0.00 H new ATOM 349 N ASP A 26 0.300 -5.618 12.054 1.00 0.00 N ATOM 350 CA ASP A 26 -0.005 -6.921 11.487 1.00 0.00 C ATOM 351 C ASP A 26 1.075 -7.295 10.470 1.00 0.00 C ATOM 352 O ASP A 26 1.194 -8.458 10.086 1.00 0.00 O ATOM 353 CB ASP A 26 -1.352 -6.905 10.763 1.00 0.00 C ATOM 354 CG ASP A 26 -2.454 -7.732 11.429 1.00 0.00 C ATOM 355 OD1 ASP A 26 -2.214 -8.943 11.627 1.00 0.00 O ATOM 356 OD2 ASP A 26 -3.512 -7.135 11.725 1.00 0.00 O ATOM 0 H ASP A 26 -0.297 -4.859 11.725 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.043 -7.643 12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.692 -5.872 10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.206 -7.273 9.747 1.00 0.00 H new ATOM 361 N SER A 27 1.833 -6.288 10.062 1.00 0.00 N ATOM 362 CA SER A 27 2.899 -6.497 9.096 1.00 0.00 C ATOM 363 C SER A 27 4.135 -7.066 9.796 1.00 0.00 C ATOM 364 O SER A 27 4.898 -7.822 9.197 1.00 0.00 O ATOM 365 CB SER A 27 3.250 -5.195 8.374 1.00 0.00 C ATOM 366 OG SER A 27 4.000 -4.311 9.202 1.00 0.00 O ATOM 0 H SER A 27 1.730 -5.325 10.382 1.00 0.00 H new ATOM 0 HA SER A 27 2.550 -7.212 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.822 -5.422 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.333 -4.700 8.052 1.00 0.00 H new ATOM 0 HG SER A 27 3.605 -4.289 10.099 1.00 0.00 H new ATOM 372 N GLY A 28 4.293 -6.682 11.053 1.00 0.00 N ATOM 373 CA GLY A 28 5.424 -7.145 11.841 1.00 0.00 C ATOM 374 C GLY A 28 6.623 -6.208 11.681 1.00 0.00 C ATOM 375 O GLY A 28 7.546 -6.232 12.494 1.00 0.00 O ATOM 0 H GLY A 28 3.657 -6.055 11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.141 -7.203 12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.701 -8.152 11.530 1.00 0.00 H new ATOM 379 N LEU A 29 6.570 -5.405 10.629 1.00 0.00 N ATOM 380 CA LEU A 29 7.641 -4.462 10.352 1.00 0.00 C ATOM 381 C LEU A 29 7.259 -3.088 10.905 1.00 0.00 C ATOM 382 O LEU A 29 7.852 -2.077 10.530 1.00 0.00 O ATOM 383 CB LEU A 29 7.975 -4.453 8.859 1.00 0.00 C ATOM 384 CG LEU A 29 7.959 -5.814 8.160 1.00 0.00 C ATOM 385 CD1 LEU A 29 8.228 -6.945 9.155 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.650 -6.023 7.396 1.00 0.00 C ATOM 0 H LEU A 29 5.802 -5.388 9.958 1.00 0.00 H new ATOM 0 HA LEU A 29 8.557 -4.767 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.266 -3.798 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.964 -4.012 8.731 1.00 0.00 H new ATOM 0 HG LEU A 29 8.766 -5.831 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.211 -7.901 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.206 -6.800 9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.459 -6.940 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.665 -6.998 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.812 -5.978 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.540 -5.243 6.643 1.00 0.00 H new ATOM 398 N GLU A 30 6.272 -3.094 11.789 1.00 0.00 N ATOM 399 CA GLU A 30 5.804 -1.860 12.397 1.00 0.00 C ATOM 400 C GLU A 30 6.927 -1.208 13.206 1.00 0.00 C ATOM 401 O GLU A 30 6.964 0.013 13.352 1.00 0.00 O ATOM 402 CB GLU A 30 4.573 -2.111 13.271 1.00 0.00 C ATOM 403 CG GLU A 30 4.802 -3.296 14.212 1.00 0.00 C ATOM 404 CD GLU A 30 4.082 -3.083 15.545 1.00 0.00 C ATOM 405 OE1 GLU A 30 3.449 -2.015 15.684 1.00 0.00 O ATOM 406 OE2 GLU A 30 4.182 -3.994 16.395 1.00 0.00 O ATOM 0 H GLU A 30 5.783 -3.934 12.099 1.00 0.00 H new ATOM 0 HA GLU A 30 5.510 -1.175 11.602 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.348 -1.218 13.853 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.707 -2.306 12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.443 -4.212 13.743 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.870 -3.425 14.388 1.00 0.00 H new ATOM 413 N HIS A 31 7.815 -2.052 13.711 1.00 0.00 N ATOM 414 CA HIS A 31 8.936 -1.573 14.502 1.00 0.00 C ATOM 415 C HIS A 31 10.249 -1.960 13.819 1.00 0.00 C ATOM 416 O HIS A 31 11.319 -1.853 14.416 1.00 0.00 O ATOM 417 CB HIS A 31 8.844 -2.085 15.941 1.00 0.00 C ATOM 418 CG HIS A 31 8.429 -3.532 16.053 1.00 0.00 C ATOM 419 ND1 HIS A 31 8.676 -4.462 15.058 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.784 -4.200 17.052 1.00 0.00 C ATOM 421 CE1 HIS A 31 8.196 -5.633 15.450 1.00 0.00 C ATOM 422 NE2 HIS A 31 7.642 -5.468 16.686 1.00 0.00 N ATOM 0 H HIS A 31 7.781 -3.064 13.588 1.00 0.00 H new ATOM 0 HA HIS A 31 8.904 -0.485 14.562 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.813 -1.957 16.424 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.131 -1.470 16.490 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.446 -3.770 17.983 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.236 -6.556 14.890 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.193 -6.199 17.238 1.00 0.00 H new ATOM 430 N SER A 32 10.124 -2.403 12.576 1.00 0.00 N ATOM 431 CA SER A 32 11.287 -2.807 11.805 1.00 0.00 C ATOM 432 C SER A 32 11.376 -1.980 10.520 1.00 0.00 C ATOM 433 O SER A 32 12.380 -1.313 10.276 1.00 0.00 O ATOM 434 CB SER A 32 11.237 -4.299 11.473 1.00 0.00 C ATOM 435 OG SER A 32 12.531 -4.895 11.494 1.00 0.00 O ATOM 0 H SER A 32 9.235 -2.491 12.084 1.00 0.00 H new ATOM 0 HA SER A 32 12.177 -2.627 12.408 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.592 -4.808 12.189 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.791 -4.436 10.488 1.00 0.00 H new ATOM 0 HG SER A 32 12.456 -5.848 11.279 1.00 0.00 H new ATOM 441 N ALA A 33 10.313 -2.052 9.734 1.00 0.00 N ATOM 442 CA ALA A 33 10.258 -1.319 8.480 1.00 0.00 C ATOM 443 C ALA A 33 9.342 -0.104 8.644 1.00 0.00 C ATOM 444 O ALA A 33 8.628 0.009 9.640 1.00 0.00 O ATOM 445 CB ALA A 33 9.793 -2.253 7.362 1.00 0.00 C ATOM 0 H ALA A 33 9.482 -2.607 9.941 1.00 0.00 H new ATOM 0 HA ALA A 33 11.247 -0.952 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.752 -1.703 6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.493 -3.083 7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.802 -2.640 7.600 1.00 0.00 H new ATOM 451 N HIS A 34 9.392 0.773 7.653 1.00 0.00 N ATOM 452 CA HIS A 34 8.575 1.974 7.675 1.00 0.00 C ATOM 453 C HIS A 34 7.906 2.165 6.312 1.00 0.00 C ATOM 454 O HIS A 34 8.378 1.638 5.306 1.00 0.00 O ATOM 455 CB HIS A 34 9.404 3.187 8.103 1.00 0.00 C ATOM 456 CG HIS A 34 10.674 3.375 7.307 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.925 3.056 7.806 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.872 3.850 6.044 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.828 3.332 6.877 1.00 0.00 C ATOM 460 NE2 HIS A 34 12.174 3.824 5.786 1.00 0.00 N ATOM 0 H HIS A 34 9.986 0.676 6.829 1.00 0.00 H new ATOM 0 HA HIS A 34 7.784 1.866 8.417 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.792 4.084 8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.660 3.085 9.158 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.101 4.190 5.369 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.895 3.192 6.968 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.613 4.123 4.915 1.00 0.00 H new ATOM 468 N VAL A 35 6.817 2.919 6.324 1.00 0.00 N ATOM 469 CA VAL A 35 6.078 3.186 5.102 1.00 0.00 C ATOM 470 C VAL A 35 7.039 3.711 4.034 1.00 0.00 C ATOM 471 O VAL A 35 7.660 4.758 4.213 1.00 0.00 O ATOM 472 CB VAL A 35 4.921 4.145 5.388 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.151 4.474 4.108 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.988 3.575 6.458 1.00 0.00 C ATOM 0 H VAL A 35 6.428 3.354 7.161 1.00 0.00 H new ATOM 0 HA VAL A 35 5.634 2.268 4.717 1.00 0.00 H new ATOM 0 HB VAL A 35 5.344 5.074 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.334 5.157 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.823 4.943 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.746 3.557 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.174 4.276 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.578 2.625 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.546 3.417 7.381 1.00 0.00 H new ATOM 484 N LEU A 36 7.132 2.960 2.946 1.00 0.00 N ATOM 485 CA LEU A 36 8.008 3.337 1.849 1.00 0.00 C ATOM 486 C LEU A 36 7.693 4.772 1.420 1.00 0.00 C ATOM 487 O LEU A 36 6.585 5.059 0.968 1.00 0.00 O ATOM 488 CB LEU A 36 7.909 2.319 0.711 1.00 0.00 C ATOM 489 CG LEU A 36 9.103 2.263 -0.244 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.641 2.295 -1.702 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.104 3.378 0.064 1.00 0.00 C ATOM 0 H LEU A 36 6.615 2.093 2.801 1.00 0.00 H new ATOM 0 HA LEU A 36 9.049 3.322 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.770 1.329 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.014 2.540 0.129 1.00 0.00 H new ATOM 0 HG LEU A 36 9.619 1.315 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.509 2.254 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.996 1.438 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.088 3.216 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.943 3.315 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.615 4.346 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.468 3.268 1.085 1.00 0.00 H new ATOM 503 N GLU A 37 8.686 5.634 1.578 1.00 0.00 N ATOM 504 CA GLU A 37 8.529 7.031 1.212 1.00 0.00 C ATOM 505 C GLU A 37 9.341 7.346 -0.045 1.00 0.00 C ATOM 506 O GLU A 37 10.529 7.032 -0.116 1.00 0.00 O ATOM 507 CB GLU A 37 8.931 7.949 2.369 1.00 0.00 C ATOM 508 CG GLU A 37 7.698 8.561 3.037 1.00 0.00 C ATOM 509 CD GLU A 37 8.069 9.234 4.360 1.00 0.00 C ATOM 510 OE1 GLU A 37 9.000 8.720 5.017 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.412 10.246 4.686 1.00 0.00 O ATOM 0 H GLU A 37 9.603 5.392 1.955 1.00 0.00 H new ATOM 0 HA GLU A 37 7.476 7.213 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.504 7.384 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.580 8.743 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.243 9.291 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.954 7.785 3.216 1.00 0.00 H new ATOM 518 N LYS A 38 8.670 7.963 -1.006 1.00 0.00 N ATOM 519 CA LYS A 38 9.315 8.324 -2.257 1.00 0.00 C ATOM 520 C LYS A 38 8.828 9.706 -2.697 1.00 0.00 C ATOM 521 O LYS A 38 7.661 10.046 -2.508 1.00 0.00 O ATOM 522 CB LYS A 38 9.096 7.232 -3.307 1.00 0.00 C ATOM 523 CG LYS A 38 10.300 7.125 -4.245 1.00 0.00 C ATOM 524 CD LYS A 38 10.285 5.799 -5.008 1.00 0.00 C ATOM 525 CE LYS A 38 11.189 5.864 -6.240 1.00 0.00 C ATOM 526 NZ LYS A 38 10.564 6.689 -7.299 1.00 0.00 N ATOM 0 H LYS A 38 7.685 8.222 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 38 10.394 8.394 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.929 6.275 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.199 7.453 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.290 7.955 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.222 7.207 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.616 4.994 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.266 5.562 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.157 6.285 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.374 4.858 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.018 6.484 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.550 6.467 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.685 7.696 -7.071 1.00 0.00 H new ATOM 540 N GLY A 39 9.747 10.465 -3.276 1.00 0.00 N ATOM 541 CA GLY A 39 9.426 11.803 -3.744 1.00 0.00 C ATOM 542 C GLY A 39 8.550 12.543 -2.731 1.00 0.00 C ATOM 543 O GLY A 39 7.540 13.141 -3.098 1.00 0.00 O ATOM 0 H GLY A 39 10.714 10.179 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.346 12.363 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.909 11.743 -4.702 1.00 0.00 H new ATOM 547 N GLY A 40 8.970 12.478 -1.476 1.00 0.00 N ATOM 548 CA GLY A 40 8.236 13.135 -0.407 1.00 0.00 C ATOM 549 C GLY A 40 6.764 12.720 -0.417 1.00 0.00 C ATOM 550 O GLY A 40 5.886 13.525 -0.109 1.00 0.00 O ATOM 0 H GLY A 40 9.808 11.981 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.682 12.882 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.313 14.216 -0.519 1.00 0.00 H new ATOM 554 N LYS A 41 6.538 11.464 -0.773 1.00 0.00 N ATOM 555 CA LYS A 41 5.187 10.932 -0.827 1.00 0.00 C ATOM 556 C LYS A 41 5.152 9.570 -0.131 1.00 0.00 C ATOM 557 O LYS A 41 5.967 8.697 -0.425 1.00 0.00 O ATOM 558 CB LYS A 41 4.682 10.898 -2.271 1.00 0.00 C ATOM 559 CG LYS A 41 4.209 12.283 -2.719 1.00 0.00 C ATOM 560 CD LYS A 41 2.788 12.563 -2.225 1.00 0.00 C ATOM 561 CE LYS A 41 1.758 12.252 -3.313 1.00 0.00 C ATOM 562 NZ LYS A 41 0.689 13.275 -3.322 1.00 0.00 N ATOM 0 H LYS A 41 7.268 10.799 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 41 4.499 11.584 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.478 10.551 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.862 10.184 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.888 13.045 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.239 12.347 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.581 11.960 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.702 13.608 -1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.247 12.220 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.325 11.267 -3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.002 13.049 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.211 13.286 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.105 14.210 -3.508 1.00 0.00 H new ATOM 576 N VAL A 42 4.199 9.430 0.779 1.00 0.00 N ATOM 577 CA VAL A 42 4.046 8.189 1.519 1.00 0.00 C ATOM 578 C VAL A 42 3.161 7.230 0.721 1.00 0.00 C ATOM 579 O VAL A 42 2.162 7.644 0.135 1.00 0.00 O ATOM 580 CB VAL A 42 3.503 8.479 2.920 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.029 7.193 3.600 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.547 9.200 3.775 1.00 0.00 C ATOM 0 H VAL A 42 3.525 10.156 1.021 1.00 0.00 H new ATOM 0 HA VAL A 42 5.012 7.703 1.654 1.00 0.00 H new ATOM 0 HB VAL A 42 2.643 9.140 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.648 7.426 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.237 6.738 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.864 6.498 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.135 9.394 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.436 8.576 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.815 10.145 3.302 1.00 0.00 H new ATOM 592 N PHE A 43 3.560 5.967 0.724 1.00 0.00 N ATOM 593 CA PHE A 43 2.815 4.945 0.007 1.00 0.00 C ATOM 594 C PHE A 43 1.739 4.323 0.900 1.00 0.00 C ATOM 595 O PHE A 43 1.704 3.107 1.080 1.00 0.00 O ATOM 596 CB PHE A 43 3.817 3.861 -0.395 1.00 0.00 C ATOM 597 CG PHE A 43 4.564 4.156 -1.698 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.457 5.180 -1.752 1.00 0.00 C ATOM 599 CD2 PHE A 43 4.335 3.394 -2.800 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.150 5.454 -2.961 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.028 3.668 -4.009 1.00 0.00 C ATOM 602 CZ PHE A 43 5.921 4.692 -4.064 1.00 0.00 C ATOM 0 H PHE A 43 4.389 5.628 1.211 1.00 0.00 H new ATOM 0 HA PHE A 43 2.321 5.384 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.543 3.736 0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.289 2.913 -0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.639 5.785 -0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.626 2.580 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.859 6.268 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.846 3.063 -4.885 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.448 4.900 -4.983 1.00 0.00 H new ATOM 612 N SER A 44 0.888 5.186 1.435 1.00 0.00 N ATOM 613 CA SER A 44 -0.186 4.737 2.304 1.00 0.00 C ATOM 614 C SER A 44 -1.511 5.362 1.865 1.00 0.00 C ATOM 615 O SER A 44 -1.818 6.496 2.231 1.00 0.00 O ATOM 616 CB SER A 44 0.106 5.084 3.765 1.00 0.00 C ATOM 617 OG SER A 44 0.274 3.919 4.568 1.00 0.00 O ATOM 0 H SER A 44 0.921 6.194 1.283 1.00 0.00 H new ATOM 0 HA SER A 44 -0.259 3.652 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.007 5.695 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.711 5.685 4.165 1.00 0.00 H new ATOM 0 HG SER A 44 0.924 3.320 4.144 1.00 0.00 H new ATOM 623 N ALA A 45 -2.261 4.596 1.086 1.00 0.00 N ATOM 624 CA ALA A 45 -3.547 5.061 0.593 1.00 0.00 C ATOM 625 C ALA A 45 -4.657 4.174 1.160 1.00 0.00 C ATOM 626 O ALA A 45 -4.488 2.961 1.276 1.00 0.00 O ATOM 627 CB ALA A 45 -3.533 5.072 -0.936 1.00 0.00 C ATOM 0 H ALA A 45 -2.003 3.657 0.784 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.739 6.081 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.497 5.421 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.746 5.739 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.346 4.064 -1.305 1.00 0.00 H new ATOM 633 N THR A 46 -5.767 4.813 1.498 1.00 0.00 N ATOM 634 CA THR A 46 -6.904 4.097 2.050 1.00 0.00 C ATOM 635 C THR A 46 -8.105 4.194 1.106 1.00 0.00 C ATOM 636 O THR A 46 -8.830 5.188 1.120 1.00 0.00 O ATOM 637 CB THR A 46 -7.182 4.655 3.447 1.00 0.00 C ATOM 638 OG1 THR A 46 -6.088 4.189 4.231 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.409 4.015 4.100 1.00 0.00 C ATOM 0 H THR A 46 -5.903 5.819 1.400 1.00 0.00 H new ATOM 0 HA THR A 46 -6.692 3.032 2.147 1.00 0.00 H new ATOM 0 HB THR A 46 -7.326 5.734 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.099 4.633 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.561 4.447 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.288 4.202 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.253 2.940 4.193 1.00 0.00 H new ATOM 647 N LEU A 47 -8.277 3.150 0.310 1.00 0.00 N ATOM 648 CA LEU A 47 -9.378 3.106 -0.639 1.00 0.00 C ATOM 649 C LEU A 47 -10.635 2.596 0.069 1.00 0.00 C ATOM 650 O LEU A 47 -10.548 1.980 1.130 1.00 0.00 O ATOM 651 CB LEU A 47 -8.990 2.286 -1.871 1.00 0.00 C ATOM 652 CG LEU A 47 -7.671 2.669 -2.544 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.326 1.693 -3.671 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.705 4.119 -3.032 1.00 0.00 C ATOM 0 H LEU A 47 -7.673 2.328 0.302 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.604 4.106 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.936 1.236 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.789 2.373 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.876 2.597 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.384 1.988 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.231 0.686 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.117 1.708 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.755 4.366 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.513 4.241 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.871 4.784 -2.185 1.00 0.00 H new ATOM 666 N GLY A 48 -11.775 2.872 -0.547 1.00 0.00 N ATOM 667 CA GLY A 48 -13.048 2.450 0.011 1.00 0.00 C ATOM 668 C GLY A 48 -14.145 2.461 -1.056 1.00 0.00 C ATOM 669 O GLY A 48 -14.237 3.399 -1.847 1.00 0.00 O ATOM 0 H GLY A 48 -11.843 3.383 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.952 1.448 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.327 3.112 0.831 1.00 0.00 H new ATOM 673 N LEU A 49 -14.948 1.408 -1.044 1.00 0.00 N ATOM 674 CA LEU A 49 -16.035 1.284 -2.001 1.00 0.00 C ATOM 675 C LEU A 49 -17.317 0.895 -1.263 1.00 0.00 C ATOM 676 O LEU A 49 -17.266 0.217 -0.238 1.00 0.00 O ATOM 677 CB LEU A 49 -15.654 0.317 -3.123 1.00 0.00 C ATOM 678 CG LEU A 49 -16.541 0.351 -4.369 1.00 0.00 C ATOM 679 CD1 LEU A 49 -15.888 1.169 -5.485 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.896 -1.064 -4.829 1.00 0.00 C ATOM 0 H LEU A 49 -14.868 0.632 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.225 2.241 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.629 0.529 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.665 -0.696 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.475 0.849 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.539 1.177 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.729 2.191 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.930 0.722 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.527 -1.011 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.983 -1.610 -5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -17.432 -1.582 -4.033 1.00 0.00 H new ATOM 692 N VAL A 50 -18.437 1.340 -1.813 1.00 0.00 N ATOM 693 CA VAL A 50 -19.731 1.047 -1.219 1.00 0.00 C ATOM 694 C VAL A 50 -20.768 0.868 -2.330 1.00 0.00 C ATOM 695 O VAL A 50 -20.874 1.703 -3.226 1.00 0.00 O ATOM 696 CB VAL A 50 -20.108 2.142 -0.220 1.00 0.00 C ATOM 697 CG1 VAL A 50 -21.421 1.807 0.491 1.00 0.00 C ATOM 698 CG2 VAL A 50 -18.983 2.375 0.790 1.00 0.00 C ATOM 0 H VAL A 50 -18.476 1.901 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.691 0.114 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.254 3.067 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.666 2.602 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -22.220 1.715 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -21.313 0.865 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.277 3.158 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.790 1.453 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -18.079 2.680 0.263 1.00 0.00 H new ATOM 708 N ASP A 51 -21.507 -0.228 -2.234 1.00 0.00 N ATOM 709 CA ASP A 51 -22.532 -0.528 -3.219 1.00 0.00 C ATOM 710 C ASP A 51 -23.881 -0.006 -2.720 1.00 0.00 C ATOM 711 O ASP A 51 -24.218 -0.167 -1.549 1.00 0.00 O ATOM 712 CB ASP A 51 -22.660 -2.036 -3.438 1.00 0.00 C ATOM 713 CG ASP A 51 -22.343 -2.513 -4.857 1.00 0.00 C ATOM 714 OD1 ASP A 51 -23.237 -2.365 -5.719 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.214 -3.015 -5.048 1.00 0.00 O ATOM 0 H ASP A 51 -21.416 -0.919 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.249 -0.050 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.994 -2.547 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.677 -2.339 -3.188 1.00 0.00 H new ATOM 720 N ILE A 52 -24.616 0.610 -3.635 1.00 0.00 N ATOM 721 CA ILE A 52 -25.920 1.157 -3.303 1.00 0.00 C ATOM 722 C ILE A 52 -26.979 0.061 -3.445 1.00 0.00 C ATOM 723 O ILE A 52 -27.944 0.023 -2.684 1.00 0.00 O ATOM 724 CB ILE A 52 -26.208 2.403 -4.142 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.567 3.006 -3.781 1.00 0.00 C ATOM 726 CG2 ILE A 52 -26.097 2.096 -5.637 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.475 4.527 -3.650 1.00 0.00 C ATOM 0 H ILE A 52 -24.333 0.742 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.941 1.489 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.451 3.152 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -28.299 2.747 -4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.921 2.578 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -26.307 2.999 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -25.089 1.748 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.816 1.322 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.455 4.930 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.761 4.782 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -27.144 4.954 -4.596 1.00 0.00 H new ATOM 739 N VAL A 53 -26.762 -0.803 -4.426 1.00 0.00 N ATOM 740 CA VAL A 53 -27.685 -1.896 -4.678 1.00 0.00 C ATOM 741 C VAL A 53 -27.406 -3.032 -3.691 1.00 0.00 C ATOM 742 O VAL A 53 -28.309 -3.486 -2.990 1.00 0.00 O ATOM 743 CB VAL A 53 -27.587 -2.338 -6.140 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.847 -1.163 -7.085 1.00 0.00 C ATOM 745 CG2 VAL A 53 -26.231 -2.984 -6.428 1.00 0.00 C ATOM 0 H VAL A 53 -25.960 -0.768 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.713 -1.571 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 53 -28.358 -3.088 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.772 -1.503 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -28.846 -0.766 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -27.109 -0.382 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -26.188 -3.289 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -25.436 -2.266 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -26.101 -3.858 -5.790 1.00 0.00 H new ATOM 755 N LYS A 54 -26.152 -3.458 -3.667 1.00 0.00 N ATOM 756 CA LYS A 54 -25.743 -4.531 -2.778 1.00 0.00 C ATOM 757 C LYS A 54 -25.749 -4.022 -1.335 1.00 0.00 C ATOM 758 O LYS A 54 -25.872 -4.808 -0.396 1.00 0.00 O ATOM 759 CB LYS A 54 -24.397 -5.110 -3.220 1.00 0.00 C ATOM 760 CG LYS A 54 -24.487 -5.685 -4.635 1.00 0.00 C ATOM 761 CD LYS A 54 -23.459 -6.800 -4.840 1.00 0.00 C ATOM 762 CE LYS A 54 -22.099 -6.225 -5.243 1.00 0.00 C ATOM 763 NZ LYS A 54 -21.304 -7.237 -5.972 1.00 0.00 N ATOM 0 H LYS A 54 -25.405 -3.079 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.451 -5.358 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.634 -4.332 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.087 -5.890 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.490 -6.074 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -24.320 -4.893 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.356 -7.378 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.810 -7.486 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -22.241 -5.345 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -21.558 -5.899 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.384 -6.830 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.153 -8.065 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -21.815 -7.528 -6.830 1.00 0.00 H new ATOM 777 N GLY A 55 -25.614 -2.711 -1.203 1.00 0.00 N ATOM 778 CA GLY A 55 -25.602 -2.088 0.110 1.00 0.00 C ATOM 779 C GLY A 55 -24.441 -2.615 0.956 1.00 0.00 C ATOM 780 O GLY A 55 -24.554 -2.713 2.177 1.00 0.00 O ATOM 0 H GLY A 55 -25.512 -2.063 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.517 -1.007 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.546 -2.285 0.618 1.00 0.00 H new ATOM 784 N THR A 56 -23.353 -2.940 0.274 1.00 0.00 N ATOM 785 CA THR A 56 -22.173 -3.454 0.948 1.00 0.00 C ATOM 786 C THR A 56 -21.125 -2.351 1.104 1.00 0.00 C ATOM 787 O THR A 56 -21.146 -1.362 0.374 1.00 0.00 O ATOM 788 CB THR A 56 -21.669 -4.665 0.160 1.00 0.00 C ATOM 789 OG1 THR A 56 -21.720 -4.240 -1.199 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.638 -5.847 0.218 1.00 0.00 C ATOM 0 H THR A 56 -23.264 -2.857 -0.739 1.00 0.00 H new ATOM 0 HA THR A 56 -22.407 -3.782 1.961 1.00 0.00 H new ATOM 0 HB THR A 56 -20.699 -4.973 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.408 -4.965 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.232 -6.679 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.775 -6.155 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.599 -5.550 -0.202 1.00 0.00 H new ATOM 798 N ASN A 57 -20.232 -2.558 2.061 1.00 0.00 N ATOM 799 CA ASN A 57 -19.178 -1.593 2.323 1.00 0.00 C ATOM 800 C ASN A 57 -17.822 -2.300 2.269 1.00 0.00 C ATOM 801 O ASN A 57 -17.471 -3.049 3.179 1.00 0.00 O ATOM 802 CB ASN A 57 -19.332 -0.972 3.712 1.00 0.00 C ATOM 803 CG ASN A 57 -20.552 -0.050 3.768 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.533 -0.233 3.066 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.436 0.948 4.640 1.00 0.00 N ATOM 0 H ASN A 57 -20.217 -3.380 2.664 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.243 -0.809 1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.433 -1.761 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.434 -0.408 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.197 1.618 4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.586 1.043 5.197 1.00 0.00 H new ATOM 812 N SER A 58 -17.095 -2.036 1.192 1.00 0.00 N ATOM 813 CA SER A 58 -15.785 -2.636 1.008 1.00 0.00 C ATOM 814 C SER A 58 -14.695 -1.577 1.178 1.00 0.00 C ATOM 815 O SER A 58 -14.920 -0.399 0.902 1.00 0.00 O ATOM 816 CB SER A 58 -15.672 -3.299 -0.367 1.00 0.00 C ATOM 817 OG SER A 58 -16.605 -4.364 -0.524 1.00 0.00 O ATOM 0 H SER A 58 -17.389 -1.415 0.439 1.00 0.00 H new ATOM 0 HA SER A 58 -15.653 -3.408 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.839 -2.553 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.660 -3.680 -0.504 1.00 0.00 H new ATOM 0 HG SER A 58 -16.503 -4.760 -1.415 1.00 0.00 H new ATOM 823 N TYR A 59 -13.536 -2.033 1.631 1.00 0.00 N ATOM 824 CA TYR A 59 -12.410 -1.139 1.841 1.00 0.00 C ATOM 825 C TYR A 59 -11.086 -1.846 1.546 1.00 0.00 C ATOM 826 O TYR A 59 -10.827 -2.929 2.068 1.00 0.00 O ATOM 827 CB TYR A 59 -12.450 -0.752 3.321 1.00 0.00 C ATOM 828 CG TYR A 59 -11.949 -1.848 4.264 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.596 -2.005 4.484 1.00 0.00 C ATOM 830 CD2 TYR A 59 -12.852 -2.681 4.895 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.126 -3.036 5.372 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.381 -3.712 5.782 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.041 -3.839 5.977 1.00 0.00 C ATOM 834 OH TYR A 59 -10.597 -4.813 6.815 1.00 0.00 O ATOM 0 H TYR A 59 -13.353 -3.010 1.858 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.478 -0.274 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.847 0.144 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.474 -0.494 3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.890 -1.354 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.911 -2.559 4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.070 -3.169 5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.076 -4.370 6.282 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.362 -5.308 7.176 1.00 0.00 H new ATOM 844 N TYR A 60 -10.283 -1.205 0.709 1.00 0.00 N ATOM 845 CA TYR A 60 -8.992 -1.759 0.338 1.00 0.00 C ATOM 846 C TYR A 60 -7.855 -0.821 0.747 1.00 0.00 C ATOM 847 O TYR A 60 -7.644 0.215 0.118 1.00 0.00 O ATOM 848 CB TYR A 60 -9.010 -1.886 -1.186 1.00 0.00 C ATOM 849 CG TYR A 60 -7.775 -2.577 -1.768 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.592 -1.879 -1.900 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.844 -3.898 -2.160 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.429 -2.529 -2.447 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.682 -4.548 -2.707 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.532 -3.832 -2.824 1.00 0.00 C ATOM 855 OH TYR A 60 -4.434 -4.446 -3.341 1.00 0.00 O ATOM 0 H TYR A 60 -10.502 -0.307 0.277 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.827 -2.715 0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.899 -2.442 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.096 -0.891 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.538 -0.845 -1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.770 -4.444 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.497 -1.994 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.723 -5.582 -3.018 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.463 -5.402 -3.128 1.00 0.00 H new ATOM 865 N LYS A 61 -7.153 -1.217 1.798 1.00 0.00 N ATOM 866 CA LYS A 61 -6.042 -0.424 2.298 1.00 0.00 C ATOM 867 C LYS A 61 -4.739 -0.930 1.676 1.00 0.00 C ATOM 868 O LYS A 61 -4.532 -2.137 1.556 1.00 0.00 O ATOM 869 CB LYS A 61 -6.033 -0.421 3.828 1.00 0.00 C ATOM 870 CG LYS A 61 -6.121 1.006 4.374 1.00 0.00 C ATOM 871 CD LYS A 61 -4.809 1.760 4.151 1.00 0.00 C ATOM 872 CE LYS A 61 -4.335 2.428 5.443 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.360 3.501 5.144 1.00 0.00 N ATOM 0 H LYS A 61 -7.332 -2.076 2.318 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.153 0.619 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.871 -1.009 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.122 -0.898 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.937 1.537 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.352 0.978 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.045 1.070 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.946 2.514 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.188 2.843 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.878 1.685 6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.947 3.852 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.605 3.124 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.842 4.281 4.654 1.00 0.00 H new ATOM 887 N LEU A 62 -3.895 0.018 1.297 1.00 0.00 N ATOM 888 CA LEU A 62 -2.618 -0.317 0.690 1.00 0.00 C ATOM 889 C LEU A 62 -1.493 0.369 1.468 1.00 0.00 C ATOM 890 O LEU A 62 -1.628 1.523 1.872 1.00 0.00 O ATOM 891 CB LEU A 62 -2.629 0.022 -0.802 1.00 0.00 C ATOM 892 CG LEU A 62 -1.531 -0.630 -1.646 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.833 -2.110 -1.889 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.318 0.134 -2.954 1.00 0.00 C ATOM 0 H LEU A 62 -4.070 1.018 1.398 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.438 -1.390 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.596 -0.268 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.548 1.104 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.596 -0.579 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.038 -2.550 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.895 -2.630 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.782 -2.206 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.533 -0.350 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.244 0.137 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.025 1.160 -2.732 1.00 0.00 H new ATOM 906 N GLN A 63 -0.409 -0.369 1.654 1.00 0.00 N ATOM 907 CA GLN A 63 0.738 0.153 2.376 1.00 0.00 C ATOM 908 C GLN A 63 2.013 -0.574 1.945 1.00 0.00 C ATOM 909 O GLN A 63 2.094 -1.798 2.036 1.00 0.00 O ATOM 910 CB GLN A 63 0.529 0.046 3.888 1.00 0.00 C ATOM 911 CG GLN A 63 -0.677 0.874 4.335 1.00 0.00 C ATOM 912 CD GLN A 63 -0.708 1.020 5.858 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.558 0.475 6.543 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.265 1.783 6.348 1.00 0.00 N ATOM 0 H GLN A 63 -0.301 -1.326 1.317 1.00 0.00 H new ATOM 0 HA GLN A 63 0.846 1.210 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.381 -0.998 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.423 0.390 4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.637 1.860 3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.596 0.398 3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.945 2.210 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.332 1.941 7.353 1.00 0.00 H new ATOM 923 N LEU A 64 2.977 0.210 1.486 1.00 0.00 N ATOM 924 CA LEU A 64 4.244 -0.344 1.041 1.00 0.00 C ATOM 925 C LEU A 64 5.315 -0.073 2.100 1.00 0.00 C ATOM 926 O LEU A 64 5.811 1.047 2.215 1.00 0.00 O ATOM 927 CB LEU A 64 4.604 0.188 -0.347 1.00 0.00 C ATOM 928 CG LEU A 64 6.019 -0.125 -0.840 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.442 -1.536 -0.429 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.134 0.092 -2.350 1.00 0.00 C ATOM 0 H LEU A 64 2.906 1.225 1.413 1.00 0.00 H new ATOM 0 HA LEU A 64 4.169 -1.426 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.892 -0.218 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.473 1.270 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 64 6.710 0.570 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.451 -1.733 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.424 -1.619 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.753 -2.262 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.149 -0.137 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.432 -0.562 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.903 1.131 -2.587 1.00 0.00 H new ATOM 942 N LEU A 65 5.640 -1.118 2.848 1.00 0.00 N ATOM 943 CA LEU A 65 6.642 -1.006 3.894 1.00 0.00 C ATOM 944 C LEU A 65 8.036 -1.052 3.265 1.00 0.00 C ATOM 945 O LEU A 65 8.253 -1.753 2.279 1.00 0.00 O ATOM 946 CB LEU A 65 6.417 -2.072 4.968 1.00 0.00 C ATOM 947 CG LEU A 65 4.964 -2.305 5.388 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.858 -3.468 6.376 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.342 -1.022 5.943 1.00 0.00 C ATOM 0 H LEU A 65 5.227 -2.046 2.750 1.00 0.00 H new ATOM 0 HA LEU A 65 6.553 -0.048 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.826 -3.016 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.990 -1.795 5.853 1.00 0.00 H new ATOM 0 HG LEU A 65 4.393 -2.583 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.815 -3.612 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.237 -4.377 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.447 -3.244 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.309 -1.215 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.908 -0.690 6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.364 -0.246 5.178 1.00 0.00 H new ATOM 961 N GLU A 66 8.945 -0.295 3.863 1.00 0.00 N ATOM 962 CA GLU A 66 10.312 -0.240 3.373 1.00 0.00 C ATOM 963 C GLU A 66 11.291 -0.605 4.491 1.00 0.00 C ATOM 964 O GLU A 66 11.162 -0.124 5.616 1.00 0.00 O ATOM 965 CB GLU A 66 10.632 1.139 2.793 1.00 0.00 C ATOM 966 CG GLU A 66 12.142 1.331 2.637 1.00 0.00 C ATOM 967 CD GLU A 66 12.480 2.793 2.339 1.00 0.00 C ATOM 968 OE1 GLU A 66 11.927 3.660 3.050 1.00 0.00 O ATOM 969 OE2 GLU A 66 13.285 3.011 1.408 1.00 0.00 O ATOM 0 H GLU A 66 8.762 0.285 4.682 1.00 0.00 H new ATOM 0 HA GLU A 66 10.419 -0.969 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.145 1.252 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.229 1.914 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.649 1.015 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.512 0.697 1.831 1.00 0.00 H new ATOM 976 N ASP A 67 12.247 -1.453 4.143 1.00 0.00 N ATOM 977 CA ASP A 67 13.247 -1.889 5.103 1.00 0.00 C ATOM 978 C ASP A 67 14.010 -0.670 5.627 1.00 0.00 C ATOM 979 O ASP A 67 14.291 0.261 4.874 1.00 0.00 O ATOM 980 CB ASP A 67 14.259 -2.835 4.454 1.00 0.00 C ATOM 981 CG ASP A 67 14.631 -4.058 5.294 1.00 0.00 C ATOM 982 OD1 ASP A 67 14.269 -4.057 6.490 1.00 0.00 O ATOM 983 OD2 ASP A 67 15.271 -4.967 4.721 1.00 0.00 O ATOM 0 H ASP A 67 12.351 -1.850 3.209 1.00 0.00 H new ATOM 0 HA ASP A 67 12.733 -2.409 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.855 -3.177 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.167 -2.275 4.233 1.00 0.00 H new ATOM 988 N ASP A 68 14.321 -0.715 6.914 1.00 0.00 N ATOM 989 CA ASP A 68 15.045 0.374 7.547 1.00 0.00 C ATOM 990 C ASP A 68 16.442 0.479 6.931 1.00 0.00 C ATOM 991 O ASP A 68 17.106 1.506 7.060 1.00 0.00 O ATOM 992 CB ASP A 68 15.208 0.127 9.049 1.00 0.00 C ATOM 993 CG ASP A 68 15.491 1.379 9.882 1.00 0.00 C ATOM 994 OD1 ASP A 68 16.410 2.128 9.487 1.00 0.00 O ATOM 995 OD2 ASP A 68 14.782 1.558 10.896 1.00 0.00 O ATOM 0 H ASP A 68 14.085 -1.488 7.536 1.00 0.00 H new ATOM 0 HA ASP A 68 14.477 1.291 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.300 -0.344 9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.021 -0.583 9.199 1.00 0.00 H new ATOM 1051 N ARG A 72 14.850 -5.347 2.196 1.00 0.00 N ATOM 1052 CA ARG A 72 13.714 -6.247 2.301 1.00 0.00 C ATOM 1053 C ARG A 72 12.421 -5.449 2.484 1.00 0.00 C ATOM 1054 O ARG A 72 12.284 -4.693 3.444 1.00 0.00 O ATOM 1055 CB ARG A 72 13.881 -7.210 3.478 1.00 0.00 C ATOM 1056 CG ARG A 72 13.051 -8.479 3.270 1.00 0.00 C ATOM 1057 CD ARG A 72 13.335 -9.506 4.368 1.00 0.00 C ATOM 1058 NE ARG A 72 14.507 -10.330 3.999 1.00 0.00 N ATOM 1059 CZ ARG A 72 15.129 -11.170 4.839 1.00 0.00 C ATOM 1060 NH1 ARG A 72 14.695 -11.301 6.099 1.00 0.00 N ATOM 1061 NH2 ARG A 72 16.186 -11.878 4.417 1.00 0.00 N ATOM 0 HA ARG A 72 13.662 -6.825 1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.933 -7.473 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.575 -6.718 4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.990 -8.228 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.278 -8.911 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.521 -8.997 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.463 -10.144 4.515 1.00 0.00 H new ATOM 0 HE ARG A 72 14.864 -10.254 3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.891 -10.762 6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.168 -11.940 6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.517 -11.778 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.660 -12.517 5.056 1.00 0.00 H new ATOM 1075 N TYR A 73 11.505 -5.646 1.547 1.00 0.00 N ATOM 1076 CA TYR A 73 10.227 -4.955 1.593 1.00 0.00 C ATOM 1077 C TYR A 73 9.066 -5.951 1.621 1.00 0.00 C ATOM 1078 O TYR A 73 9.250 -7.133 1.337 1.00 0.00 O ATOM 1079 CB TYR A 73 10.147 -4.132 0.305 1.00 0.00 C ATOM 1080 CG TYR A 73 11.196 -3.023 0.209 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.537 -3.344 0.154 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.801 -1.701 0.178 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.524 -2.299 0.064 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.788 -0.656 0.088 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.101 -1.007 0.035 1.00 0.00 C ATOM 1086 OH TYR A 73 14.033 -0.021 -0.050 1.00 0.00 O ATOM 0 H TYR A 73 11.622 -6.274 0.752 1.00 0.00 H new ATOM 0 HA TYR A 73 10.156 -4.338 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.261 -4.800 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.155 -3.687 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.846 -4.378 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.751 -1.450 0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.577 -2.536 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.492 0.382 0.063 1.00 0.00 H new ATOM 0 HH TYR A 73 13.586 0.851 -0.063 1.00 0.00 H new ATOM 1096 N TRP A 74 7.895 -5.435 1.966 1.00 0.00 N ATOM 1097 CA TRP A 74 6.704 -6.264 2.036 1.00 0.00 C ATOM 1098 C TRP A 74 5.553 -5.493 1.387 1.00 0.00 C ATOM 1099 O TRP A 74 5.566 -4.264 1.352 1.00 0.00 O ATOM 1100 CB TRP A 74 6.407 -6.679 3.478 1.00 0.00 C ATOM 1101 CG TRP A 74 7.501 -7.539 4.116 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.492 -8.862 4.326 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.772 -7.078 4.621 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.659 -9.287 4.927 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.462 -8.167 5.112 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.320 -5.784 4.661 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.739 -8.073 5.679 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.596 -5.707 5.231 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.305 -6.794 5.730 1.00 0.00 C ATOM 0 H TRP A 74 7.746 -4.453 2.200 1.00 0.00 H new ATOM 0 HA TRP A 74 6.851 -7.196 1.490 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.266 -5.782 4.082 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.467 -7.230 3.500 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.674 -9.514 4.058 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.890 -10.246 5.187 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.798 -4.918 4.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.259 -8.941 6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.063 -4.735 5.287 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.288 -6.652 6.155 1.00 0.00 H new ATOM 1120 N ILE A 75 4.584 -6.247 0.888 1.00 0.00 N ATOM 1121 CA ILE A 75 3.428 -5.650 0.242 1.00 0.00 C ATOM 1122 C ILE A 75 2.162 -6.044 1.007 1.00 0.00 C ATOM 1123 O ILE A 75 1.669 -7.162 0.864 1.00 0.00 O ATOM 1124 CB ILE A 75 3.391 -6.022 -1.241 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.481 -5.282 -2.019 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.001 -5.781 -1.833 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.982 -3.918 -2.500 1.00 0.00 C ATOM 0 H ILE A 75 4.576 -7.267 0.918 1.00 0.00 H new ATOM 0 HA ILE A 75 3.494 -4.562 0.272 1.00 0.00 H new ATOM 0 HB ILE A 75 3.598 -7.088 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.358 -5.150 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.793 -5.881 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.003 -6.054 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.269 -6.390 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.740 -4.728 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.776 -3.413 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.120 -4.055 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.694 -3.312 -1.641 1.00 0.00 H new ATOM 1139 N PHE A 76 1.672 -5.103 1.801 1.00 0.00 N ATOM 1140 CA PHE A 76 0.473 -5.338 2.588 1.00 0.00 C ATOM 1141 C PHE A 76 -0.781 -4.938 1.808 1.00 0.00 C ATOM 1142 O PHE A 76 -0.792 -3.916 1.124 1.00 0.00 O ATOM 1143 CB PHE A 76 0.582 -4.464 3.839 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.602 -4.602 4.798 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.589 -5.562 5.762 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.668 -3.765 4.688 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.688 -5.690 6.652 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.767 -3.893 5.578 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.753 -4.853 6.542 1.00 0.00 C ATOM 0 H PHE A 76 2.083 -4.177 1.916 1.00 0.00 H new ATOM 0 HA PHE A 76 0.391 -6.396 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.499 -4.720 4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.671 -3.421 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.257 -6.227 5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.679 -3.002 3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.678 -6.453 7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.614 -3.228 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.588 -4.950 7.220 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.808 -5.765 1.938 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.065 -5.510 1.255 1.00 0.00 C ATOM 1161 C ARG A 77 -4.239 -6.005 2.101 1.00 0.00 C ATOM 1162 O ARG A 77 -4.381 -7.205 2.331 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.100 -6.203 -0.109 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.698 -6.639 -0.539 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.755 -7.498 -1.804 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.526 -8.315 -1.916 1.00 0.00 N ATOM 1167 CZ ARG A 77 -0.206 -9.047 -2.992 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -1.022 -9.069 -4.054 1.00 0.00 N ATOM 1169 NH2 ARG A 77 0.930 -9.757 -3.005 1.00 0.00 N ATOM 0 H ARG A 77 -1.795 -6.612 2.506 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.149 -4.434 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.757 -7.072 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.519 -5.526 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.079 -5.760 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.225 -7.202 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.631 -8.146 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.859 -6.861 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 77 0.118 -8.321 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.887 -8.529 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.778 -9.626 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.551 -9.740 -2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.174 -10.314 -3.824 1.00 0.00 H new ATOM 1183 N SER A 78 -5.052 -5.056 2.541 1.00 0.00 N ATOM 1184 CA SER A 78 -6.210 -5.380 3.357 1.00 0.00 C ATOM 1185 C SER A 78 -7.487 -5.263 2.523 1.00 0.00 C ATOM 1186 O SER A 78 -7.642 -4.322 1.747 1.00 0.00 O ATOM 1187 CB SER A 78 -6.291 -4.470 4.584 1.00 0.00 C ATOM 1188 OG SER A 78 -6.727 -3.156 4.246 1.00 0.00 O ATOM 0 H SER A 78 -4.932 -4.062 2.348 1.00 0.00 H new ATOM 0 HA SER A 78 -6.106 -6.407 3.707 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.977 -4.903 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.312 -4.416 5.061 1.00 0.00 H new ATOM 0 HG SER A 78 -7.700 -3.154 4.128 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.370 -6.233 2.712 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.629 -6.251 1.987 1.00 0.00 C ATOM 1196 C TRP A 79 -10.672 -6.942 2.867 1.00 0.00 C ATOM 1197 O TRP A 79 -10.331 -7.796 3.685 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.464 -6.916 0.619 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.162 -8.414 0.689 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.017 -9.419 0.924 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -7.873 -9.040 0.511 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.376 -10.642 0.910 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.032 -10.404 0.651 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.616 -8.473 0.240 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -6.974 -11.314 0.538 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.569 -9.396 0.130 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.712 -10.772 0.268 1.00 0.00 C ATOM 0 H TRP A 79 -8.238 -7.012 3.357 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.968 -5.237 1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.376 -6.766 0.041 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.659 -6.418 0.079 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.074 -9.289 1.102 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.810 -11.553 1.062 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.469 -7.409 0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.124 -12.377 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.581 -9.012 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -4.854 -11.420 0.167 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.921 -6.548 2.670 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.016 -7.119 3.435 1.00 0.00 C ATOM 1220 C GLY A 80 -14.051 -6.051 3.794 1.00 0.00 C ATOM 1221 O GLY A 80 -13.723 -4.868 3.879 1.00 0.00 O ATOM 0 H GLY A 80 -12.199 -5.840 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.492 -7.912 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.629 -7.575 4.346 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.279 -6.506 3.993 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.364 -5.603 4.340 1.00 0.00 C ATOM 1227 C ARG A 81 -15.962 -4.720 5.523 1.00 0.00 C ATOM 1228 O ARG A 81 -15.150 -5.123 6.355 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.632 -6.380 4.700 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.754 -6.090 3.701 1.00 0.00 C ATOM 1231 CD ARG A 81 -18.888 -7.223 2.682 1.00 0.00 C ATOM 1232 NE ARG A 81 -19.865 -8.225 3.165 1.00 0.00 N ATOM 1233 CZ ARG A 81 -20.453 -9.139 2.381 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -20.167 -9.183 1.073 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -21.327 -10.009 2.906 1.00 0.00 N ATOM 0 H ARG A 81 -15.547 -7.487 3.921 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.568 -4.979 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.417 -7.449 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -17.956 -6.109 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.696 -5.962 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.551 -5.153 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.210 -6.823 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.919 -7.696 2.522 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.106 -8.219 4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.502 -8.521 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.615 -9.879 0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.544 -9.975 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.775 -10.705 2.310 1.00 0.00 H new ATOM 1328 N SER A 88 -9.919 -9.877 5.731 1.00 0.00 N ATOM 1329 CA SER A 88 -8.665 -10.601 5.615 1.00 0.00 C ATOM 1330 C SER A 88 -7.571 -9.671 5.088 1.00 0.00 C ATOM 1331 O SER A 88 -7.861 -8.583 4.592 1.00 0.00 O ATOM 1332 CB SER A 88 -8.814 -11.818 4.700 1.00 0.00 C ATOM 1333 OG SER A 88 -9.116 -13.003 5.431 1.00 0.00 O ATOM 0 HA SER A 88 -8.383 -10.958 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.604 -11.630 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.891 -11.964 4.138 1.00 0.00 H new ATOM 0 HG SER A 88 -9.205 -13.756 4.811 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.335 -10.133 5.212 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.196 -9.356 4.754 1.00 0.00 C ATOM 1341 C ASN A 89 -4.190 -10.286 4.074 1.00 0.00 C ATOM 1342 O ASN A 89 -4.401 -11.496 4.013 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.490 -8.670 5.926 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.932 -9.701 6.909 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -4.865 -10.343 7.606 1.00 0.00 O flip ATOM 1346 ND2 ASN A 89 -2.734 -9.901 7.026 1.00 0.00 N flip ATOM 0 H ASN A 89 -6.098 -11.036 5.623 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.561 -8.599 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.680 -8.044 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.189 -8.012 6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.071 -9.372 6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.396 -10.597 7.691 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.117 -9.686 3.581 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.077 -10.445 2.908 1.00 0.00 C ATOM 1355 C LYS A 90 -0.730 -9.748 3.109 1.00 0.00 C ATOM 1356 O LYS A 90 -0.643 -8.523 3.030 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.441 -10.667 1.438 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.236 -11.177 0.646 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.654 -12.258 -0.353 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.967 -11.649 -1.721 1.00 0.00 C ATOM 1361 NZ LYS A 90 -2.462 -12.689 -2.651 1.00 0.00 N ATOM 0 H LYS A 90 -2.945 -8.682 3.634 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.990 -11.440 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.258 -11.385 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.798 -9.733 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.768 -10.348 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.490 -11.579 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.856 -12.994 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.530 -12.786 0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.715 -10.863 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.071 -11.182 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.670 -12.258 -3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.736 -13.425 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.329 -13.116 -2.265 1.00 0.00 H new ATOM 1375 N LEU A 91 0.287 -10.557 3.366 1.00 0.00 N ATOM 1376 CA LEU A 91 1.625 -10.033 3.579 1.00 0.00 C ATOM 1377 C LEU A 91 2.632 -10.889 2.808 1.00 0.00 C ATOM 1378 O LEU A 91 2.822 -12.063 3.120 1.00 0.00 O ATOM 1379 CB LEU A 91 1.927 -9.927 5.076 1.00 0.00 C ATOM 1380 CG LEU A 91 3.252 -9.259 5.447 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.150 -7.737 5.333 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.718 -9.700 6.836 1.00 0.00 C ATOM 0 H LEU A 91 0.211 -11.572 3.432 1.00 0.00 H new ATOM 0 HA LEU A 91 1.703 -9.018 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.118 -9.373 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.918 -10.931 5.500 1.00 0.00 H new ATOM 0 HG LEU A 91 4.010 -9.585 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.106 -7.287 5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.897 -7.465 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.375 -7.373 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.662 -9.211 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.968 -9.423 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.857 -10.781 6.847 1.00 0.00 H new ATOM 1394 N GLU A 92 3.252 -10.267 1.816 1.00 0.00 N ATOM 1395 CA GLU A 92 4.235 -10.956 0.998 1.00 0.00 C ATOM 1396 C GLU A 92 5.564 -10.200 1.015 1.00 0.00 C ATOM 1397 O GLU A 92 5.583 -8.971 1.069 1.00 0.00 O ATOM 1398 CB GLU A 92 3.726 -11.139 -0.433 1.00 0.00 C ATOM 1399 CG GLU A 92 2.670 -12.243 -0.503 1.00 0.00 C ATOM 1400 CD GLU A 92 3.031 -13.281 -1.568 1.00 0.00 C ATOM 1401 OE1 GLU A 92 4.130 -13.863 -1.443 1.00 0.00 O ATOM 1402 OE2 GLU A 92 2.200 -13.469 -2.483 1.00 0.00 O ATOM 0 H GLU A 92 3.092 -9.293 1.560 1.00 0.00 H new ATOM 0 HA GLU A 92 4.399 -11.948 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.302 -10.202 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.560 -11.386 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.582 -12.729 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.697 -11.807 -0.730 1.00 0.00 H new ATOM 1409 N GLN A 93 6.645 -10.965 0.967 1.00 0.00 N ATOM 1410 CA GLN A 93 7.976 -10.383 0.977 1.00 0.00 C ATOM 1411 C GLN A 93 8.477 -10.181 -0.455 1.00 0.00 C ATOM 1412 O GLN A 93 8.631 -11.144 -1.204 1.00 0.00 O ATOM 1413 CB GLN A 93 8.948 -11.248 1.781 1.00 0.00 C ATOM 1414 CG GLN A 93 10.291 -10.539 1.964 1.00 0.00 C ATOM 1415 CD GLN A 93 11.453 -11.455 1.573 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.928 -11.452 0.450 1.00 0.00 O ATOM 1417 NE2 GLN A 93 11.881 -12.236 2.561 1.00 0.00 N ATOM 0 H GLN A 93 6.626 -11.984 0.921 1.00 0.00 H new ATOM 0 HA GLN A 93 7.922 -9.409 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.517 -11.475 2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.101 -12.199 1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.315 -9.635 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.403 -10.227 3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.437 -12.187 3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.653 -12.884 2.401 1.00 0.00 H new ATOM 1426 N MET A 94 8.717 -8.922 -0.792 1.00 0.00 N ATOM 1427 CA MET A 94 9.198 -8.582 -2.120 1.00 0.00 C ATOM 1428 C MET A 94 10.701 -8.842 -2.243 1.00 0.00 C ATOM 1429 O MET A 94 11.427 -8.784 -1.253 1.00 0.00 O ATOM 1430 CB MET A 94 8.910 -7.107 -2.405 1.00 0.00 C ATOM 1431 CG MET A 94 7.475 -6.913 -2.899 1.00 0.00 C ATOM 1432 SD MET A 94 7.390 -7.207 -4.657 1.00 0.00 S ATOM 1433 CE MET A 94 5.946 -8.255 -4.726 1.00 0.00 C ATOM 0 H MET A 94 8.587 -8.125 -0.168 1.00 0.00 H new ATOM 0 HA MET A 94 8.680 -9.210 -2.845 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.069 -6.520 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.609 -6.734 -3.153 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.806 -7.595 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.138 -5.901 -2.674 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.748 -8.534 -5.761 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.120 -9.154 -4.134 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.087 -7.717 -4.325 1.00 0.00 H new ATOM 1443 N PRO A 95 11.133 -9.132 -3.500 1.00 0.00 N ATOM 1444 CA PRO A 95 12.536 -9.402 -3.765 1.00 0.00 C ATOM 1445 C PRO A 95 13.356 -8.110 -3.743 1.00 0.00 C ATOM 1446 O PRO A 95 14.330 -8.002 -3.000 1.00 0.00 O ATOM 1447 CB PRO A 95 12.554 -10.094 -5.118 1.00 0.00 C ATOM 1448 CG PRO A 95 11.219 -9.772 -5.769 1.00 0.00 C ATOM 1449 CD PRO A 95 10.301 -9.210 -4.697 1.00 0.00 C ATOM 0 HA PRO A 95 12.995 -10.033 -3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.383 -9.736 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.684 -11.170 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.352 -9.050 -6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.784 -10.668 -6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.918 -8.229 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.437 -9.855 -4.537 1.00 0.00 H new ATOM 1457 N SER A 96 12.932 -7.163 -4.567 1.00 0.00 N ATOM 1458 CA SER A 96 13.615 -5.884 -4.652 1.00 0.00 C ATOM 1459 C SER A 96 12.673 -4.759 -4.218 1.00 0.00 C ATOM 1460 O SER A 96 11.463 -4.958 -4.125 1.00 0.00 O ATOM 1461 CB SER A 96 14.130 -5.627 -6.070 1.00 0.00 C ATOM 1462 OG SER A 96 15.393 -4.967 -6.067 1.00 0.00 O ATOM 0 H SER A 96 12.124 -7.256 -5.182 1.00 0.00 H new ATOM 0 HA SER A 96 14.474 -5.910 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.217 -6.575 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.406 -5.022 -6.615 1.00 0.00 H new ATOM 0 HG SER A 96 15.689 -4.822 -6.990 1.00 0.00 H new ATOM 1468 N LYS A 97 13.265 -3.601 -3.962 1.00 0.00 N ATOM 1469 CA LYS A 97 12.494 -2.444 -3.540 1.00 0.00 C ATOM 1470 C LYS A 97 11.528 -2.044 -4.657 1.00 0.00 C ATOM 1471 O LYS A 97 10.402 -1.629 -4.389 1.00 0.00 O ATOM 1472 CB LYS A 97 13.425 -1.312 -3.098 1.00 0.00 C ATOM 1473 CG LYS A 97 12.658 0.004 -2.955 1.00 0.00 C ATOM 1474 CD LYS A 97 13.351 1.129 -3.727 1.00 0.00 C ATOM 1475 CE LYS A 97 14.137 2.039 -2.781 1.00 0.00 C ATOM 1476 NZ LYS A 97 15.270 2.672 -3.493 1.00 0.00 N ATOM 0 H LYS A 97 14.269 -3.440 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 97 11.889 -2.688 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.892 -1.570 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.228 -1.192 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.640 -0.122 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.584 0.273 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.024 0.703 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.608 1.715 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.479 2.808 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.509 1.460 -1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.793 3.286 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.906 1.935 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.908 3.240 -4.285 1.00 0.00 H new ATOM 1490 N GLU A 98 12.004 -2.184 -5.885 1.00 0.00 N ATOM 1491 CA GLU A 98 11.196 -1.843 -7.044 1.00 0.00 C ATOM 1492 C GLU A 98 10.020 -2.813 -7.175 1.00 0.00 C ATOM 1493 O GLU A 98 8.865 -2.392 -7.204 1.00 0.00 O ATOM 1494 CB GLU A 98 12.043 -1.832 -8.319 1.00 0.00 C ATOM 1495 CG GLU A 98 13.203 -0.842 -8.198 1.00 0.00 C ATOM 1496 CD GLU A 98 13.323 0.019 -9.457 1.00 0.00 C ATOM 1497 OE1 GLU A 98 12.259 0.442 -9.958 1.00 0.00 O ATOM 1498 OE2 GLU A 98 14.476 0.235 -9.889 1.00 0.00 O ATOM 0 H GLU A 98 12.939 -2.529 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 98 10.799 -0.838 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.432 -2.832 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.419 -1.564 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.050 -0.202 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.134 -1.385 -8.035 1.00 0.00 H new ATOM 1505 N ASP A 99 10.355 -4.092 -7.251 1.00 0.00 N ATOM 1506 CA ASP A 99 9.342 -5.125 -7.379 1.00 0.00 C ATOM 1507 C ASP A 99 8.190 -4.825 -6.417 1.00 0.00 C ATOM 1508 O ASP A 99 7.032 -5.108 -6.722 1.00 0.00 O ATOM 1509 CB ASP A 99 9.909 -6.501 -7.023 1.00 0.00 C ATOM 1510 CG ASP A 99 10.970 -7.032 -7.987 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.607 -7.259 -9.162 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.121 -7.200 -7.529 1.00 0.00 O ATOM 0 H ASP A 99 11.315 -4.437 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 99 8.998 -5.134 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.340 -6.452 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.087 -7.216 -6.981 1.00 0.00 H new ATOM 1517 N ALA A 100 8.548 -4.256 -5.276 1.00 0.00 N ATOM 1518 CA ALA A 100 7.559 -3.914 -4.267 1.00 0.00 C ATOM 1519 C ALA A 100 6.831 -2.635 -4.686 1.00 0.00 C ATOM 1520 O ALA A 100 5.611 -2.541 -4.560 1.00 0.00 O ATOM 1521 CB ALA A 100 8.244 -3.776 -2.906 1.00 0.00 C ATOM 0 H ALA A 100 9.509 -4.023 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 100 6.813 -4.704 -4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.502 -3.520 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.721 -4.720 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.998 -2.990 -2.956 1.00 0.00 H new ATOM 1527 N ILE A 101 7.611 -1.682 -5.176 1.00 0.00 N ATOM 1528 CA ILE A 101 7.055 -0.413 -5.614 1.00 0.00 C ATOM 1529 C ILE A 101 6.188 -0.641 -6.853 1.00 0.00 C ATOM 1530 O ILE A 101 5.040 -0.201 -6.901 1.00 0.00 O ATOM 1531 CB ILE A 101 8.169 0.615 -5.824 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.723 1.104 -4.484 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.689 1.772 -6.703 1.00 0.00 C ATOM 1534 CD1 ILE A 101 10.102 1.743 -4.662 1.00 0.00 C ATOM 0 H ILE A 101 8.623 -1.763 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 101 6.407 0.005 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 101 8.988 0.128 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.037 1.828 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.793 0.268 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 101 8.500 2.488 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.381 1.387 -7.675 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.844 2.266 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.473 2.082 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.792 1.009 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.024 2.593 -5.339 1.00 0.00 H new ATOM 1546 N GLU A 102 6.770 -1.328 -7.826 1.00 0.00 N ATOM 1547 CA GLU A 102 6.064 -1.620 -9.062 1.00 0.00 C ATOM 1548 C GLU A 102 4.733 -2.312 -8.762 1.00 0.00 C ATOM 1549 O GLU A 102 3.692 -1.917 -9.284 1.00 0.00 O ATOM 1550 CB GLU A 102 6.926 -2.469 -9.998 1.00 0.00 C ATOM 1551 CG GLU A 102 8.336 -1.890 -10.121 1.00 0.00 C ATOM 1552 CD GLU A 102 8.784 -1.843 -11.583 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.896 -1.652 -12.443 1.00 0.00 O ATOM 1554 OE2 GLU A 102 10.003 -1.999 -11.809 1.00 0.00 O ATOM 0 H GLU A 102 7.722 -1.691 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 102 5.855 -0.678 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.980 -3.490 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.461 -2.516 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.359 -0.886 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.033 -2.496 -9.543 1.00 0.00 H new ATOM 1561 N HIS A 103 4.810 -3.335 -7.923 1.00 0.00 N ATOM 1562 CA HIS A 103 3.624 -4.086 -7.547 1.00 0.00 C ATOM 1563 C HIS A 103 2.595 -3.142 -6.922 1.00 0.00 C ATOM 1564 O HIS A 103 1.453 -3.077 -7.372 1.00 0.00 O ATOM 1565 CB HIS A 103 3.990 -5.256 -6.632 1.00 0.00 C ATOM 1566 CG HIS A 103 2.895 -6.285 -6.484 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.151 -6.748 -7.555 1.00 0.00 N ATOM 1568 CD2 HIS A 103 2.427 -6.936 -5.380 1.00 0.00 C ATOM 1569 CE1 HIS A 103 1.277 -7.637 -7.105 1.00 0.00 C ATOM 1570 NE2 HIS A 103 1.449 -7.751 -5.757 1.00 0.00 N ATOM 0 H HIS A 103 5.675 -3.661 -7.493 1.00 0.00 H new ATOM 0 HA HIS A 103 3.169 -4.524 -8.435 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.883 -5.744 -7.023 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.245 -4.867 -5.646 1.00 0.00 H new ATOM 0 HD1 HIS A 103 2.257 -6.455 -8.526 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.790 -6.810 -4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.556 -8.176 -7.701 1.00 0.00 H new ATOM 1578 N PHE A 104 3.038 -2.434 -5.893 1.00 0.00 N ATOM 1579 CA PHE A 104 2.170 -1.497 -5.200 1.00 0.00 C ATOM 1580 C PHE A 104 1.390 -0.635 -6.195 1.00 0.00 C ATOM 1581 O PHE A 104 0.164 -0.559 -6.129 1.00 0.00 O ATOM 1582 CB PHE A 104 3.070 -0.593 -4.356 1.00 0.00 C ATOM 1583 CG PHE A 104 2.322 0.525 -3.628 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.073 1.702 -4.262 1.00 0.00 C ATOM 1585 CD2 PHE A 104 1.906 0.342 -2.346 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.379 2.740 -3.586 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.211 1.379 -1.670 1.00 0.00 C ATOM 1588 CZ PHE A 104 0.963 2.557 -2.304 1.00 0.00 C ATOM 0 H PHE A 104 3.987 -2.491 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 104 1.450 -2.040 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.594 -1.204 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.828 -0.149 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.403 1.847 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.104 -0.592 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.181 3.675 -4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.879 1.233 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.436 3.347 -1.789 1.00 0.00 H new ATOM 1598 N MET A 105 2.133 -0.006 -7.094 1.00 0.00 N ATOM 1599 CA MET A 105 1.527 0.848 -8.101 1.00 0.00 C ATOM 1600 C MET A 105 0.446 0.096 -8.879 1.00 0.00 C ATOM 1601 O MET A 105 -0.563 0.681 -9.271 1.00 0.00 O ATOM 1602 CB MET A 105 2.605 1.340 -9.069 1.00 0.00 C ATOM 1603 CG MET A 105 2.901 2.825 -8.850 1.00 0.00 C ATOM 1604 SD MET A 105 3.370 3.110 -7.152 1.00 0.00 S ATOM 1605 CE MET A 105 5.077 2.593 -7.210 1.00 0.00 C ATOM 0 H MET A 105 3.150 -0.071 -7.146 1.00 0.00 H new ATOM 0 HA MET A 105 1.062 1.697 -7.599 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.517 0.759 -8.929 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.278 1.178 -10.096 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.702 3.147 -9.516 1.00 0.00 H new ATOM 0 HG3 MET A 105 2.022 3.420 -9.098 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.296 1.965 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.255 2.028 -8.125 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.724 3.470 -7.194 1.00 0.00 H new ATOM 1615 N LYS A 106 0.693 -1.190 -9.080 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.247 -2.029 -9.804 1.00 0.00 C ATOM 1617 C LYS A 106 -1.445 -2.340 -8.905 1.00 0.00 C ATOM 1618 O LYS A 106 -2.592 -2.252 -9.340 1.00 0.00 O ATOM 1619 CB LYS A 106 0.455 -3.276 -10.346 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.478 -4.488 -10.312 1.00 0.00 C ATOM 1621 CD LYS A 106 0.249 -5.752 -10.778 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.212 -6.164 -12.177 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.457 -5.339 -13.207 1.00 0.00 N ATOM 0 H LYS A 106 1.531 -1.672 -8.754 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.632 -1.503 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.786 -3.096 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.347 -3.482 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.855 -4.633 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.342 -4.305 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.325 -5.577 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.061 -6.564 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.012 -7.217 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.293 -6.051 -12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.133 -5.632 -14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.222 -4.337 -13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.487 -5.467 -13.140 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.138 -2.697 -7.666 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.175 -3.021 -6.702 1.00 0.00 C ATOM 1639 C LEU A 107 -3.188 -1.876 -6.644 1.00 0.00 C ATOM 1640 O LEU A 107 -4.380 -2.085 -6.866 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.557 -3.364 -5.345 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.164 -4.828 -5.138 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.658 -5.063 -3.713 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.321 -5.762 -5.497 1.00 0.00 C ATOM 0 H LEU A 107 -0.186 -2.769 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.719 -3.913 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.669 -2.747 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.265 -3.085 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.341 -5.060 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.385 -6.111 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.215 -4.437 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.443 -4.808 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.015 -6.797 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.179 -5.538 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.594 -5.618 -6.542 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.677 -0.690 -6.346 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.522 0.488 -6.256 1.00 0.00 C ATOM 1658 C TYR A 108 -4.095 0.857 -7.626 1.00 0.00 C ATOM 1659 O TYR A 108 -4.934 1.750 -7.732 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.615 1.622 -5.774 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.350 2.938 -5.511 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.622 3.797 -6.557 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.740 3.266 -4.229 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.314 5.035 -6.309 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.432 4.504 -3.982 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.684 5.328 -5.034 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.338 6.498 -4.800 1.00 0.00 O ATOM 0 H TYR A 108 -1.688 -0.520 -6.164 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.360 0.308 -5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.114 1.308 -4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.838 1.794 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.316 3.541 -7.560 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.526 2.594 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.534 5.716 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.744 4.772 -2.983 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.541 6.574 -3.844 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.619 0.150 -8.641 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.074 0.392 -10.000 1.00 0.00 C ATOM 1679 C GLU A 109 -5.079 -0.681 -10.422 1.00 0.00 C ATOM 1680 O GLU A 109 -5.830 -0.492 -11.378 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.893 0.450 -10.971 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.378 0.516 -12.420 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.203 0.697 -13.384 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.248 1.399 -12.988 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.287 0.129 -14.494 1.00 0.00 O ATOM 0 H GLU A 109 -2.923 -0.590 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.573 1.361 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.278 1.322 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.262 -0.428 -10.835 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.919 -0.397 -12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.079 1.343 -12.535 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.061 -1.785 -9.689 1.00 0.00 N ATOM 1693 CA GLU A 110 -5.961 -2.888 -9.976 1.00 0.00 C ATOM 1694 C GLU A 110 -7.328 -2.639 -9.334 1.00 0.00 C ATOM 1695 O GLU A 110 -8.353 -3.064 -9.864 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.368 -4.217 -9.503 1.00 0.00 C ATOM 1697 CG GLU A 110 -5.867 -4.572 -8.101 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.349 -5.945 -7.666 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.134 -6.175 -7.845 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.180 -6.732 -7.165 1.00 0.00 O ATOM 0 H GLU A 110 -4.437 -1.939 -8.897 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.094 -2.951 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.639 -5.009 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.280 -4.153 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.538 -3.813 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.957 -4.569 -8.088 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.298 -1.950 -8.203 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.521 -1.639 -7.483 1.00 0.00 C ATOM 1709 C LYS A 111 -9.169 -0.398 -8.100 1.00 0.00 C ATOM 1710 O LYS A 111 -10.223 -0.490 -8.728 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.243 -1.507 -5.985 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.647 -2.799 -5.422 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.712 -3.892 -5.312 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.070 -5.279 -5.259 1.00 0.00 C ATOM 1715 NZ LYS A 111 -8.808 -6.157 -4.323 1.00 0.00 N ATOM 0 H LYS A 111 -6.446 -1.598 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.237 -2.455 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.556 -0.679 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.168 -1.270 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.836 -3.140 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.215 -2.607 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.313 -3.731 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.389 -3.833 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.065 -5.722 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.030 -5.193 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.530 -7.146 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.583 -5.888 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.830 -6.055 -4.484 1.00 0.00 H new ATOM 1729 N THR A 112 -8.511 0.735 -7.901 1.00 0.00 N ATOM 1730 CA THR A 112 -9.009 1.993 -8.430 1.00 0.00 C ATOM 1731 C THR A 112 -9.085 1.937 -9.957 1.00 0.00 C ATOM 1732 O THR A 112 -9.939 2.581 -10.564 1.00 0.00 O ATOM 1733 CB THR A 112 -8.111 3.115 -7.906 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.875 2.916 -8.587 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.754 2.939 -6.429 1.00 0.00 C ATOM 0 H THR A 112 -7.637 0.808 -7.380 1.00 0.00 H new ATOM 0 HA THR A 112 -10.027 2.189 -8.093 1.00 0.00 H new ATOM 0 HB THR A 112 -8.609 4.074 -8.047 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.363 2.212 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.116 3.762 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.666 2.934 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.226 1.996 -6.292 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.179 1.162 -10.534 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.132 1.013 -11.979 1.00 0.00 C ATOM 1745 C GLY A 113 -7.252 2.093 -12.612 1.00 0.00 C ATOM 1746 O GLY A 113 -6.840 1.966 -13.764 1.00 0.00 O ATOM 0 H GLY A 113 -7.471 0.630 -10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.744 0.027 -12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.141 1.075 -12.388 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.992 3.132 -11.832 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.169 4.233 -12.303 1.00 0.00 C ATOM 1752 C ASN A 114 -4.750 4.075 -11.754 1.00 0.00 C ATOM 1753 O ASN A 114 -4.543 3.412 -10.739 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.716 5.577 -11.816 1.00 0.00 C ATOM 1755 CG ASN A 114 -8.160 5.437 -11.330 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -8.446 4.801 -10.328 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -9.051 6.064 -12.092 1.00 0.00 N ATOM 0 H ASN A 114 -7.337 3.235 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.173 4.214 -13.393 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -6.091 5.956 -11.007 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.670 6.307 -12.624 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.042 6.030 -11.851 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.744 6.579 -12.917 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.808 4.695 -12.450 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.414 4.630 -12.046 1.00 0.00 C ATOM 1766 C ALA A 115 -2.208 5.496 -10.801 1.00 0.00 C ATOM 1767 O ALA A 115 -2.968 6.432 -10.559 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.523 5.065 -13.211 1.00 0.00 C ATOM 0 H ALA A 115 -3.983 5.245 -13.291 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.137 3.608 -11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.477 5.016 -12.907 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.686 4.402 -14.061 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.770 6.087 -13.496 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.177 5.151 -10.043 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.862 5.885 -8.829 1.00 0.00 C ATOM 1776 C TRP A 116 -0.745 7.367 -9.190 1.00 0.00 C ATOM 1777 O TRP A 116 -1.470 8.201 -8.649 1.00 0.00 O ATOM 1778 CB TRP A 116 0.399 5.330 -8.165 1.00 0.00 C ATOM 1779 CG TRP A 116 0.948 6.208 -7.039 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.845 7.200 -7.128 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.595 6.134 -5.641 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.096 7.767 -5.895 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.312 7.099 -4.962 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.299 5.279 -4.972 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.208 7.300 -3.581 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.391 5.494 -3.592 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.323 6.461 -2.894 1.00 0.00 C ATOM 0 H TRP A 116 -0.549 4.373 -10.246 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.655 5.768 -8.090 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.181 4.339 -7.766 1.00 0.00 H new ATOM 0 HB3 TRP A 116 1.172 5.205 -8.924 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.313 7.516 -8.049 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.739 8.535 -5.704 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.869 4.517 -5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 1.780 8.062 -3.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.064 4.864 -3.030 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.195 6.564 -1.827 1.00 0.00 H new ATOM 1798 N HIS A 117 0.174 7.651 -10.101 1.00 0.00 N ATOM 1799 CA HIS A 117 0.395 9.019 -10.540 1.00 0.00 C ATOM 1800 C HIS A 117 -0.043 9.167 -11.998 1.00 0.00 C ATOM 1801 O HIS A 117 0.769 9.026 -12.912 1.00 0.00 O ATOM 1802 CB HIS A 117 1.850 9.433 -10.313 1.00 0.00 C ATOM 1803 CG HIS A 117 2.036 10.440 -9.203 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.229 10.589 -8.518 1.00 0.00 N ATOM 1805 CD2 HIS A 117 1.169 11.346 -8.668 1.00 0.00 C ATOM 1806 CE1 HIS A 117 3.075 11.543 -7.612 1.00 0.00 C ATOM 1807 NE2 HIS A 117 1.797 12.012 -7.706 1.00 0.00 N ATOM 0 H HIS A 117 0.774 6.958 -10.547 1.00 0.00 H new ATOM 0 HA HIS A 117 -0.213 9.699 -9.944 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.439 8.544 -10.086 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.247 9.850 -11.238 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.144 11.497 -8.975 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.829 11.889 -6.920 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.391 12.752 -7.132 1.00 0.00 H new ATOM 1815 N SER A 118 -1.326 9.449 -12.172 1.00 0.00 N ATOM 1816 CA SER A 118 -1.882 9.618 -13.504 1.00 0.00 C ATOM 1817 C SER A 118 -2.612 10.959 -13.600 1.00 0.00 C ATOM 1818 O SER A 118 -3.800 11.001 -13.915 1.00 0.00 O ATOM 1819 CB SER A 118 -2.831 8.470 -13.854 1.00 0.00 C ATOM 1820 OG SER A 118 -2.701 8.066 -15.214 1.00 0.00 O ATOM 0 H SER A 118 -1.997 9.565 -11.412 1.00 0.00 H new ATOM 0 HA SER A 118 -1.062 9.607 -14.221 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.628 7.620 -13.202 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.859 8.779 -13.664 1.00 0.00 H new ATOM 0 HG SER A 118 -3.322 7.330 -15.398 1.00 0.00 H new ATOM 1826 N LYS A 119 -1.871 12.021 -13.323 1.00 0.00 N ATOM 1827 CA LYS A 119 -2.433 13.360 -13.374 1.00 0.00 C ATOM 1828 C LYS A 119 -3.498 13.503 -12.285 1.00 0.00 C ATOM 1829 O LYS A 119 -3.188 13.866 -11.152 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.946 13.672 -14.781 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.891 14.426 -15.594 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.105 13.470 -16.494 1.00 0.00 C ATOM 1833 CE LYS A 119 0.258 14.059 -16.861 1.00 0.00 C ATOM 1834 NZ LYS A 119 1.267 13.707 -15.836 1.00 0.00 N ATOM 0 H LYS A 119 -0.886 11.982 -13.062 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.664 14.104 -13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.209 12.745 -15.290 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.856 14.269 -14.716 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.374 15.190 -16.203 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.207 14.941 -14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.968 12.516 -15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.674 13.268 -17.401 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.573 13.683 -17.834 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.181 15.143 -16.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.187 14.114 -16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.972 14.087 -14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.352 12.672 -15.773 1.00 0.00 H new ATOM 1848 N ASN A 120 -4.733 13.211 -12.668 1.00 0.00 N ATOM 1849 CA ASN A 120 -5.846 13.302 -11.739 1.00 0.00 C ATOM 1850 C ASN A 120 -6.442 11.910 -11.526 1.00 0.00 C ATOM 1851 O ASN A 120 -5.851 10.909 -11.928 1.00 0.00 O ATOM 1852 CB ASN A 120 -6.948 14.210 -12.287 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.481 15.145 -11.199 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -8.721 14.867 -10.807 1.00 0.00 O flip ATOM 1855 ND2 ASN A 120 -6.810 16.058 -10.746 1.00 0.00 N flip ATOM 0 H ASN A 120 -4.987 12.911 -13.609 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.471 13.716 -10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.559 14.798 -13.118 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.763 13.602 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.864 16.216 -11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.195 16.663 -10.021 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.607 11.890 -10.894 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.290 10.637 -10.622 1.00 0.00 C ATOM 1864 C PHE A 121 -9.600 10.546 -11.407 1.00 0.00 C ATOM 1865 O PHE A 121 -10.238 11.562 -11.678 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.604 10.613 -9.125 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.104 9.260 -8.615 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.306 8.163 -8.703 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.347 9.155 -8.074 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.770 6.907 -8.230 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.812 7.899 -7.601 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.014 6.802 -7.690 1.00 0.00 C ATOM 0 H PHE A 121 -8.095 12.722 -10.563 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.660 9.798 -10.918 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.706 10.889 -8.572 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.357 11.371 -8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.319 8.247 -9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.981 10.027 -8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.136 6.036 -8.299 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.799 7.816 -7.171 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.368 5.847 -7.332 1.00 0.00 H new ATOM 1882 N THR A 122 -9.963 9.318 -11.750 1.00 0.00 N ATOM 1883 CA THR A 122 -11.186 9.081 -12.499 1.00 0.00 C ATOM 1884 C THR A 122 -12.086 8.096 -11.751 1.00 0.00 C ATOM 1885 O THR A 122 -11.812 6.897 -11.722 1.00 0.00 O ATOM 1886 CB THR A 122 -10.797 8.606 -13.900 1.00 0.00 C ATOM 1887 OG1 THR A 122 -10.156 9.736 -14.485 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.015 8.365 -14.795 1.00 0.00 C ATOM 0 H THR A 122 -9.432 8.477 -11.523 1.00 0.00 H new ATOM 0 HA THR A 122 -11.772 9.995 -12.601 1.00 0.00 H new ATOM 0 HB THR A 122 -10.215 7.688 -13.823 1.00 0.00 H new ATOM 0 HG1 THR A 122 -9.870 9.515 -15.396 1.00 0.00 H new ATOM 0 HG21 THR A 122 -11.684 8.029 -15.778 1.00 0.00 H new ATOM 0 HG22 THR A 122 -12.651 7.602 -14.346 1.00 0.00 H new ATOM 0 HG23 THR A 122 -12.579 9.292 -14.899 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.143 8.638 -11.164 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.086 7.822 -10.418 1.00 0.00 C ATOM 1898 C LYS A 123 -14.839 6.907 -11.386 1.00 0.00 C ATOM 1899 O LYS A 123 -15.491 7.381 -12.314 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.002 8.704 -9.567 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.131 8.150 -8.146 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.596 7.885 -7.792 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.710 6.857 -6.665 1.00 0.00 C ATOM 1904 NZ LYS A 123 -18.027 6.962 -5.999 1.00 0.00 N ATOM 0 H LYS A 123 -13.367 9.633 -11.190 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.559 7.178 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.605 9.719 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.987 8.763 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.559 7.226 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.704 8.858 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.075 8.816 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.127 7.525 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -16.578 5.852 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -15.914 7.017 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.088 6.257 -5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -18.139 7.915 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.782 6.787 -6.693 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.723 5.611 -11.135 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.385 4.625 -11.972 1.00 0.00 C ATOM 1920 C TYR A 124 -16.308 3.731 -11.142 1.00 0.00 C ATOM 1921 O TYR A 124 -16.244 3.736 -9.914 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.271 3.767 -12.574 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.750 4.277 -13.920 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.626 4.477 -14.967 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.405 4.536 -14.086 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.137 4.957 -16.234 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.915 5.016 -15.352 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.806 5.203 -16.364 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.343 5.656 -17.560 1.00 0.00 O ATOM 0 H TYR A 124 -14.181 5.221 -10.364 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.994 5.114 -12.732 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.441 3.721 -11.869 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.639 2.749 -12.701 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.679 4.274 -14.837 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.720 4.379 -13.266 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.812 5.118 -17.062 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.865 5.223 -15.495 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.374 5.789 -17.506 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.169 2.965 -11.864 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.104 2.067 -11.208 1.00 0.00 C ATOM 1941 C PRO A 125 -17.389 0.824 -10.675 1.00 0.00 C ATOM 1942 O PRO A 125 -16.740 0.105 -11.433 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.149 1.746 -12.264 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.513 2.097 -13.599 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.274 2.932 -13.320 1.00 0.00 C ATOM 0 HA PRO A 125 -18.570 2.514 -10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.429 0.693 -12.229 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -20.059 2.323 -12.101 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.248 1.192 -14.145 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.215 2.652 -14.222 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.387 2.487 -13.771 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.372 3.936 -13.733 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.533 0.608 -9.376 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.910 -0.536 -8.734 1.00 0.00 C ATOM 1955 C LYS A 126 -15.483 -0.169 -8.322 1.00 0.00 C ATOM 1956 O LYS A 126 -15.030 -0.539 -7.239 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.991 -1.768 -9.637 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.380 -1.895 -10.267 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.665 -3.341 -10.678 1.00 0.00 C ATOM 1960 CE LYS A 126 -18.363 -3.558 -12.162 1.00 0.00 C ATOM 1961 NZ LYS A 126 -18.783 -4.913 -12.584 1.00 0.00 N ATOM 0 H LYS A 126 -18.072 1.206 -8.751 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.448 -0.801 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.237 -1.699 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.767 -2.664 -9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.137 -1.559 -9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.449 -1.245 -11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.060 -4.020 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -19.709 -3.581 -10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.882 -2.808 -12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.296 -3.428 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -18.571 -5.043 -13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.269 -5.625 -12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.805 -5.024 -12.428 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.813 0.555 -9.207 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.446 0.976 -8.949 1.00 0.00 C ATOM 1977 C LYS A 127 -13.360 1.580 -7.545 1.00 0.00 C ATOM 1978 O LYS A 127 -14.249 2.320 -7.128 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.958 1.916 -10.053 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.870 1.186 -11.395 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.741 0.153 -11.385 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.596 -0.514 -12.754 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.471 -1.705 -12.845 1.00 0.00 N ATOM 0 H LYS A 127 -15.191 0.861 -10.104 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.773 0.119 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.637 2.764 -10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.980 2.317 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.818 0.692 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.701 1.907 -12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.803 0.637 -11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -11.943 -0.604 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.854 0.195 -13.540 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.558 -0.805 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -12.361 -2.146 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -12.206 -2.388 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.462 -1.419 -12.712 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.281 1.240 -6.856 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.066 1.739 -5.508 1.00 0.00 C ATOM 1999 C PHE A 128 -11.436 3.133 -5.533 1.00 0.00 C ATOM 2000 O PHE A 128 -10.487 3.376 -6.277 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.104 0.769 -4.820 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.731 -0.579 -4.459 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -12.411 -0.721 -3.289 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.609 -1.634 -5.307 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.994 -1.972 -2.954 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.192 -2.885 -4.972 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.872 -3.028 -3.803 1.00 0.00 C ATOM 0 H PHE A 128 -11.546 0.625 -7.206 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.018 1.810 -4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.249 0.597 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.722 1.235 -3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -12.507 0.117 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.069 -1.521 -6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -13.534 -2.085 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -12.095 -3.723 -5.646 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.315 -3.980 -3.549 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.988 4.013 -4.711 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.492 5.376 -4.629 1.00 0.00 C ATOM 2019 C TYR A 129 -10.888 5.658 -3.252 1.00 0.00 C ATOM 2020 O TYR A 129 -11.129 4.916 -2.301 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.708 6.281 -4.835 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.864 5.998 -3.873 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.760 6.356 -2.544 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -15.010 5.383 -4.334 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.848 6.090 -1.639 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -16.098 5.117 -3.429 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.963 5.483 -2.126 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.991 5.231 -1.271 1.00 0.00 O ATOM 0 H TYR A 129 -12.775 3.808 -4.095 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.714 5.546 -5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.399 7.320 -4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -13.064 6.166 -5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.862 6.836 -2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.091 5.101 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.780 6.366 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -17.001 4.638 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.722 4.795 -1.757 1.00 0.00 H new ATOM 2038 N PRO A 130 -10.094 6.760 -3.187 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.454 7.150 -1.943 1.00 0.00 C ATOM 2040 C PRO A 130 -10.463 7.778 -0.980 1.00 0.00 C ATOM 2041 O PRO A 130 -11.107 8.772 -1.311 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.348 8.109 -2.352 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.703 8.581 -3.753 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.786 7.662 -4.294 1.00 0.00 C ATOM 0 HA PRO A 130 -9.044 6.300 -1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.285 8.950 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.377 7.613 -2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -9.054 9.613 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.825 8.557 -4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.666 8.226 -4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.438 7.112 -5.168 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.570 7.171 0.193 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.491 7.659 1.206 1.00 0.00 C ATOM 2054 C LEU A 131 -11.005 9.015 1.721 1.00 0.00 C ATOM 2055 O LEU A 131 -11.335 10.054 1.151 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.677 6.614 2.309 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.251 5.267 1.866 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.241 4.261 3.019 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.648 5.437 1.265 1.00 0.00 C ATOM 0 H LEU A 131 -10.035 6.346 0.464 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.480 7.816 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.711 6.437 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.333 7.033 3.072 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.610 4.864 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.654 3.312 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.217 4.109 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.845 4.644 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -14.033 4.464 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.314 5.872 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.593 6.095 0.398 1.00 0.00 H new ATOM 2071 N GLU A 132 -10.228 8.962 2.792 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.693 10.174 3.390 1.00 0.00 C ATOM 2073 C GLU A 132 -9.115 11.088 2.308 1.00 0.00 C ATOM 2074 O GLU A 132 -8.363 10.637 1.445 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.639 9.844 4.449 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.629 10.898 5.558 1.00 0.00 C ATOM 2077 CD GLU A 132 -8.637 10.239 6.940 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -7.593 9.649 7.293 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -9.686 10.342 7.611 1.00 0.00 O ATOM 0 H GLU A 132 -9.956 8.099 3.262 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.507 10.701 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.843 8.862 4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.655 9.791 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.746 11.529 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.498 11.547 5.456 1.00 0.00 H new