USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.128) USER MOD Set 1.3: A 63 GLN : amide:sc= 0.0199 X(o=0.02,f=0) USER MOD Single : A 27 SER OG : rot -57:sc= 1.64 USER MOD Single : A 31 HIS : no HD1:sc= 0.187 K(o=0.19,f=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -4.47! C(o=-4.5!,f=-6.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 57 ASN : amide:sc= -2.57! C(o=-2.6!,f=-11!) 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 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -1.3 USER MOD Single : A 78 SER OG : rot 170:sc= -0.967 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.7) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.975 X(o=-0.97,f=-0.49) USER MOD Single : A 94 MET CE :methyl -145:sc= -0.199 (180deg=-0.854) 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 103 HIS : no HE2:sc= -2.15! C(o=-2.1!,f=-3.9!) USER MOD Single : A 105 MET CE :methyl -149:sc= -0.123 (180deg=-1.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc=-0.00116 USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= 0.564 (180deg=0.384) USER MOD Single : A 112 THR OG1 : rot -77:sc= 1.2 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HE2:sc= 0.144 K(o=0.14,f=-0.94) 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -121:sc= 0.328 (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 4.623 7.726 7.471 1.00 0.00 N ATOM 288 CA ALA A 21 3.316 7.217 7.851 1.00 0.00 C ATOM 289 C ALA A 21 3.490 6.083 8.864 1.00 0.00 C ATOM 290 O ALA A 21 4.590 5.559 9.031 1.00 0.00 O ATOM 291 CB ALA A 21 2.559 6.769 6.599 1.00 0.00 C ATOM 0 HA ALA A 21 2.724 7.998 8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.579 6.387 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.436 7.617 5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.122 5.983 6.095 1.00 0.00 H new ATOM 297 N ALA A 22 2.388 5.738 9.512 1.00 0.00 N ATOM 298 CA ALA A 22 2.404 4.676 10.504 1.00 0.00 C ATOM 299 C ALA A 22 2.105 3.340 9.820 1.00 0.00 C ATOM 300 O ALA A 22 1.323 3.286 8.872 1.00 0.00 O ATOM 301 CB ALA A 22 1.404 4.999 11.615 1.00 0.00 C ATOM 0 H ALA A 22 1.477 6.175 9.370 1.00 0.00 H new ATOM 0 HA ALA A 22 3.388 4.597 10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.416 4.202 12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.678 5.942 12.089 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.404 5.084 11.191 1.00 0.00 H new ATOM 307 N VAL A 23 2.743 2.296 10.327 1.00 0.00 N ATOM 308 CA VAL A 23 2.555 0.964 9.777 1.00 0.00 C ATOM 309 C VAL A 23 1.513 0.216 10.611 1.00 0.00 C ATOM 310 O VAL A 23 1.299 0.537 11.778 1.00 0.00 O ATOM 311 CB VAL A 23 3.897 0.235 9.702 1.00 0.00 C ATOM 312 CG1 VAL A 23 3.694 -1.267 9.494 1.00 0.00 C ATOM 313 CG2 VAL A 23 4.782 0.826 8.602 1.00 0.00 C ATOM 0 H VAL A 23 3.391 2.345 11.113 1.00 0.00 H new ATOM 0 HA VAL A 23 2.175 1.021 8.757 1.00 0.00 H new ATOM 0 HB VAL A 23 4.408 0.376 10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.664 -1.762 9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.121 -1.675 10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.152 -1.436 8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.730 0.289 8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.279 0.731 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.968 1.879 8.811 1.00 0.00 H new ATOM 323 N ASP A 24 0.893 -0.769 9.978 1.00 0.00 N ATOM 324 CA ASP A 24 -0.122 -1.567 10.646 1.00 0.00 C ATOM 325 C ASP A 24 0.559 -2.583 11.565 1.00 0.00 C ATOM 326 O ASP A 24 1.584 -3.161 11.207 1.00 0.00 O ATOM 327 CB ASP A 24 -0.971 -2.338 9.635 1.00 0.00 C ATOM 328 CG ASP A 24 -2.483 -2.193 9.816 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.876 -1.360 10.661 1.00 0.00 O ATOM 330 OD2 ASP A 24 -3.212 -2.917 9.104 1.00 0.00 O ATOM 0 H ASP A 24 1.074 -1.033 9.009 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.763 -0.892 11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.707 -2.004 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.713 -3.395 9.697 1.00 0.00 H new ATOM 335 N PRO A 25 -0.055 -2.776 12.764 1.00 0.00 N ATOM 336 CA PRO A 25 0.481 -3.713 13.737 1.00 0.00 C ATOM 337 C PRO A 25 0.198 -5.158 13.320 1.00 0.00 C ATOM 338 O PRO A 25 0.864 -6.082 13.782 1.00 0.00 O ATOM 339 CB PRO A 25 -0.179 -3.334 15.052 1.00 0.00 C ATOM 340 CG PRO A 25 -1.401 -2.508 14.683 1.00 0.00 C ATOM 341 CD PRO A 25 -1.270 -2.110 13.222 1.00 0.00 C ATOM 0 HA PRO A 25 1.566 -3.658 13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.464 -4.222 15.616 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.503 -2.762 15.681 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.313 -3.084 14.842 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.469 -1.623 15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.138 -2.429 12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.194 -1.028 13.112 1.00 0.00 H new ATOM 349 N ASP A 26 -0.792 -5.306 12.452 1.00 0.00 N ATOM 350 CA ASP A 26 -1.172 -6.623 11.968 1.00 0.00 C ATOM 351 C ASP A 26 -0.104 -7.133 10.999 1.00 0.00 C ATOM 352 O ASP A 26 -0.011 -8.333 10.748 1.00 0.00 O ATOM 353 CB ASP A 26 -2.505 -6.571 11.219 1.00 0.00 C ATOM 354 CG ASP A 26 -2.829 -7.815 10.390 1.00 0.00 C ATOM 355 OD1 ASP A 26 -2.345 -7.874 9.240 1.00 0.00 O ATOM 356 OD2 ASP A 26 -3.555 -8.681 10.927 1.00 0.00 O ATOM 0 H ASP A 26 -1.342 -4.536 12.071 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.268 -7.284 12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.305 -6.416 11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.500 -5.704 10.559 1.00 0.00 H new ATOM 361 N SER A 27 0.676 -6.195 10.482 1.00 0.00 N ATOM 362 CA SER A 27 1.734 -6.534 9.545 1.00 0.00 C ATOM 363 C SER A 27 2.949 -7.076 10.302 1.00 0.00 C ATOM 364 O SER A 27 3.705 -7.888 9.770 1.00 0.00 O ATOM 365 CB SER A 27 2.133 -5.322 8.701 1.00 0.00 C ATOM 366 OG SER A 27 3.034 -4.463 9.393 1.00 0.00 O ATOM 0 H SER A 27 0.597 -5.200 10.694 1.00 0.00 H new ATOM 0 HA SER A 27 1.359 -7.304 8.871 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.596 -5.662 7.774 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.239 -4.763 8.424 1.00 0.00 H new ATOM 0 HG SER A 27 2.630 -4.179 10.240 1.00 0.00 H new ATOM 372 N GLY A 28 3.098 -6.605 11.532 1.00 0.00 N ATOM 373 CA GLY A 28 4.208 -7.032 12.367 1.00 0.00 C ATOM 374 C GLY A 28 5.514 -6.373 11.922 1.00 0.00 C ATOM 375 O GLY A 28 6.596 -6.786 12.338 1.00 0.00 O ATOM 0 H GLY A 28 2.469 -5.932 11.970 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.004 -6.778 13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.309 -8.116 12.318 1.00 0.00 H new ATOM 379 N LEU A 29 5.372 -5.359 11.081 1.00 0.00 N ATOM 380 CA LEU A 29 6.528 -4.638 10.575 1.00 0.00 C ATOM 381 C LEU A 29 6.482 -3.193 11.076 1.00 0.00 C ATOM 382 O LEU A 29 7.266 -2.355 10.635 1.00 0.00 O ATOM 383 CB LEU A 29 6.609 -4.759 9.052 1.00 0.00 C ATOM 384 CG LEU A 29 6.167 -6.099 8.460 1.00 0.00 C ATOM 385 CD1 LEU A 29 6.143 -6.042 6.932 1.00 0.00 C ATOM 386 CD2 LEU A 29 7.041 -7.242 8.978 1.00 0.00 C ATOM 0 H LEU A 29 4.474 -5.019 10.737 1.00 0.00 H new ATOM 0 HA LEU A 29 7.449 -5.078 10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.998 -3.971 8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.639 -4.572 8.747 1.00 0.00 H new ATOM 0 HG LEU A 29 5.148 -6.299 8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.826 -7.007 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.445 -5.270 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.141 -5.808 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.706 -8.183 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.079 -7.062 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.962 -7.297 10.064 1.00 0.00 H new ATOM 398 N GLU A 30 5.556 -2.947 11.991 1.00 0.00 N ATOM 399 CA GLU A 30 5.398 -1.618 12.557 1.00 0.00 C ATOM 400 C GLU A 30 6.528 -1.324 13.546 1.00 0.00 C ATOM 401 O GLU A 30 6.791 -0.166 13.866 1.00 0.00 O ATOM 402 CB GLU A 30 4.030 -1.466 13.226 1.00 0.00 C ATOM 403 CG GLU A 30 3.900 -2.405 14.427 1.00 0.00 C ATOM 404 CD GLU A 30 3.024 -1.783 15.516 1.00 0.00 C ATOM 405 OE1 GLU A 30 1.970 -1.222 15.145 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.427 -1.884 16.695 1.00 0.00 O ATOM 0 H GLU A 30 4.908 -3.645 12.355 1.00 0.00 H new ATOM 0 HA GLU A 30 5.452 -0.891 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.892 -0.434 13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.242 -1.682 12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.470 -3.354 14.107 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.888 -2.624 14.831 1.00 0.00 H new ATOM 413 N HIS A 31 7.165 -2.393 14.001 1.00 0.00 N ATOM 414 CA HIS A 31 8.260 -2.264 14.947 1.00 0.00 C ATOM 415 C HIS A 31 9.553 -2.774 14.308 1.00 0.00 C ATOM 416 O HIS A 31 10.564 -2.940 14.989 1.00 0.00 O ATOM 417 CB HIS A 31 7.929 -2.973 16.262 1.00 0.00 C ATOM 418 CG HIS A 31 6.913 -4.081 16.123 1.00 0.00 C ATOM 419 ND1 HIS A 31 7.009 -5.071 15.160 1.00 0.00 N ATOM 420 CD2 HIS A 31 5.780 -4.346 16.835 1.00 0.00 C ATOM 421 CE1 HIS A 31 5.975 -5.888 15.295 1.00 0.00 C ATOM 422 NE2 HIS A 31 5.214 -5.437 16.333 1.00 0.00 N ATOM 0 H HIS A 31 6.944 -3.352 13.732 1.00 0.00 H new ATOM 0 HA HIS A 31 8.408 -1.213 15.196 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.847 -3.386 16.681 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.555 -2.238 16.975 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.407 -3.766 17.666 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.771 -6.758 14.689 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.352 -5.867 16.668 1.00 0.00 H new ATOM 430 N SER A 32 9.479 -3.008 13.006 1.00 0.00 N ATOM 431 CA SER A 32 10.631 -3.496 12.266 1.00 0.00 C ATOM 432 C SER A 32 10.812 -2.683 10.983 1.00 0.00 C ATOM 433 O SER A 32 11.884 -2.130 10.740 1.00 0.00 O ATOM 434 CB SER A 32 10.484 -4.983 11.936 1.00 0.00 C ATOM 435 OG SER A 32 11.663 -5.718 12.253 1.00 0.00 O ATOM 0 H SER A 32 8.639 -2.869 12.444 1.00 0.00 H new ATOM 0 HA SER A 32 11.515 -3.376 12.892 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.640 -5.395 12.489 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.258 -5.099 10.876 1.00 0.00 H new ATOM 0 HG SER A 32 11.529 -6.663 12.030 1.00 0.00 H new ATOM 441 N ALA A 33 9.747 -2.636 10.195 1.00 0.00 N ATOM 442 CA ALA A 33 9.775 -1.899 8.943 1.00 0.00 C ATOM 443 C ALA A 33 8.981 -0.601 9.102 1.00 0.00 C ATOM 444 O ALA A 33 8.444 -0.325 10.173 1.00 0.00 O ATOM 445 CB ALA A 33 9.231 -2.783 7.819 1.00 0.00 C ATOM 0 H ALA A 33 8.860 -3.096 10.400 1.00 0.00 H new ATOM 0 HA ALA A 33 10.797 -1.628 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.252 -2.231 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.848 -3.677 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.205 -3.072 8.048 1.00 0.00 H new ATOM 451 N HIS A 34 8.931 0.161 8.019 1.00 0.00 N ATOM 452 CA HIS A 34 8.211 1.423 8.025 1.00 0.00 C ATOM 453 C HIS A 34 7.650 1.700 6.628 1.00 0.00 C ATOM 454 O HIS A 34 8.124 1.138 5.642 1.00 0.00 O ATOM 455 CB HIS A 34 9.102 2.554 8.541 1.00 0.00 C ATOM 456 CG HIS A 34 10.389 2.723 7.769 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.601 2.222 8.214 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.641 3.340 6.579 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.532 2.531 7.324 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.936 3.224 6.312 1.00 0.00 N ATOM 0 H HIS A 34 9.377 -0.071 7.132 1.00 0.00 H new ATOM 0 HA HIS A 34 7.367 1.362 8.712 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.543 3.489 8.504 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.340 2.366 9.588 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.751 1.704 9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.911 3.838 5.959 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.580 2.278 7.389 1.00 0.00 H new ATOM 468 N VAL A 35 6.648 2.566 6.589 1.00 0.00 N ATOM 469 CA VAL A 35 6.017 2.924 5.330 1.00 0.00 C ATOM 470 C VAL A 35 7.093 3.351 4.330 1.00 0.00 C ATOM 471 O VAL A 35 7.973 4.145 4.660 1.00 0.00 O ATOM 472 CB VAL A 35 4.956 4.001 5.565 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.273 4.392 4.253 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.930 3.543 6.602 1.00 0.00 C ATOM 0 H VAL A 35 6.258 3.030 7.409 1.00 0.00 H new ATOM 0 HA VAL A 35 5.499 2.065 4.903 1.00 0.00 H new ATOM 0 HB VAL A 35 5.457 4.885 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.523 5.159 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.017 4.780 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.792 3.516 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.187 4.327 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.436 2.637 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.434 3.338 7.546 1.00 0.00 H new ATOM 484 N LEU A 36 6.986 2.807 3.127 1.00 0.00 N ATOM 485 CA LEU A 36 7.939 3.122 2.076 1.00 0.00 C ATOM 486 C LEU A 36 7.645 4.520 1.530 1.00 0.00 C ATOM 487 O LEU A 36 6.601 4.747 0.921 1.00 0.00 O ATOM 488 CB LEU A 36 7.934 2.030 1.004 1.00 0.00 C ATOM 489 CG LEU A 36 9.179 1.955 0.117 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.803 2.027 -1.364 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.193 3.034 0.504 1.00 0.00 C ATOM 0 H LEU A 36 6.254 2.150 2.856 1.00 0.00 H new ATOM 0 HA LEU A 36 8.953 3.141 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.804 1.066 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.065 2.181 0.364 1.00 0.00 H new ATOM 0 HG LEU A 36 9.657 0.989 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.706 1.972 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.146 1.194 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.289 2.967 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.068 2.959 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.739 4.018 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.495 2.894 1.542 1.00 0.00 H new ATOM 503 N GLU A 37 8.586 5.423 1.768 1.00 0.00 N ATOM 504 CA GLU A 37 8.441 6.794 1.308 1.00 0.00 C ATOM 505 C GLU A 37 9.295 7.028 0.060 1.00 0.00 C ATOM 506 O GLU A 37 10.449 6.604 0.004 1.00 0.00 O ATOM 507 CB GLU A 37 8.805 7.785 2.415 1.00 0.00 C ATOM 508 CG GLU A 37 7.551 8.295 3.128 1.00 0.00 C ATOM 509 CD GLU A 37 7.797 8.438 4.632 1.00 0.00 C ATOM 510 OE1 GLU A 37 7.669 7.408 5.328 1.00 0.00 O ATOM 511 OE2 GLU A 37 8.106 9.575 5.051 1.00 0.00 O ATOM 0 H GLU A 37 9.451 5.232 2.273 1.00 0.00 H new ATOM 0 HA GLU A 37 7.396 6.960 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.467 7.304 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.353 8.626 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.257 9.258 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.724 7.606 2.955 1.00 0.00 H new ATOM 518 N LYS A 38 8.695 7.701 -0.911 1.00 0.00 N ATOM 519 CA LYS A 38 9.386 7.996 -2.155 1.00 0.00 C ATOM 520 C LYS A 38 8.943 9.368 -2.666 1.00 0.00 C ATOM 521 O LYS A 38 7.813 9.790 -2.424 1.00 0.00 O ATOM 522 CB LYS A 38 9.176 6.866 -3.165 1.00 0.00 C ATOM 523 CG LYS A 38 10.427 6.657 -4.021 1.00 0.00 C ATOM 524 CD LYS A 38 10.413 5.278 -4.685 1.00 0.00 C ATOM 525 CE LYS A 38 9.897 5.367 -6.122 1.00 0.00 C ATOM 526 NZ LYS A 38 10.964 4.997 -7.079 1.00 0.00 N ATOM 0 H LYS A 38 7.738 8.050 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 38 10.462 8.049 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.933 5.943 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.327 7.100 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.483 7.432 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.318 6.757 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.419 4.858 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.783 4.600 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.041 4.705 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.550 6.380 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.597 5.063 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.770 5.645 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.276 4.023 -6.892 1.00 0.00 H new ATOM 540 N GLY A 39 9.857 10.028 -3.363 1.00 0.00 N ATOM 541 CA GLY A 39 9.574 11.344 -3.910 1.00 0.00 C ATOM 542 C GLY A 39 8.828 12.211 -2.895 1.00 0.00 C ATOM 543 O GLY A 39 7.816 12.828 -3.225 1.00 0.00 O ATOM 0 H GLY A 39 10.794 9.676 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.506 11.832 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.977 11.244 -4.817 1.00 0.00 H new ATOM 547 N GLY A 40 9.355 12.230 -1.680 1.00 0.00 N ATOM 548 CA GLY A 40 8.751 13.011 -0.614 1.00 0.00 C ATOM 549 C GLY A 40 7.264 12.684 -0.469 1.00 0.00 C ATOM 550 O GLY A 40 6.468 13.546 -0.100 1.00 0.00 O ATOM 0 H GLY A 40 10.194 11.717 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.265 12.808 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.875 14.074 -0.822 1.00 0.00 H new ATOM 554 N LYS A 41 6.933 11.436 -0.768 1.00 0.00 N ATOM 555 CA LYS A 41 5.555 10.984 -0.676 1.00 0.00 C ATOM 556 C LYS A 41 5.486 9.754 0.230 1.00 0.00 C ATOM 557 O LYS A 41 6.517 9.226 0.646 1.00 0.00 O ATOM 558 CB LYS A 41 4.973 10.754 -2.072 1.00 0.00 C ATOM 559 CG LYS A 41 4.652 12.083 -2.759 1.00 0.00 C ATOM 560 CD LYS A 41 3.164 12.417 -2.641 1.00 0.00 C ATOM 561 CE LYS A 41 2.403 11.977 -3.893 1.00 0.00 C ATOM 562 NZ LYS A 41 1.455 13.031 -4.319 1.00 0.00 N ATOM 0 H LYS A 41 7.596 10.724 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 41 4.931 11.752 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.683 10.190 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.068 10.151 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.244 12.881 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.934 12.030 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.745 11.923 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.039 13.490 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.107 11.765 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.862 11.053 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.946 12.717 -5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.773 13.214 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.979 13.904 -4.531 1.00 0.00 H new ATOM 576 N VAL A 42 4.262 9.332 0.510 1.00 0.00 N ATOM 577 CA VAL A 42 4.045 8.173 1.359 1.00 0.00 C ATOM 578 C VAL A 42 3.229 7.130 0.593 1.00 0.00 C ATOM 579 O VAL A 42 2.299 7.477 -0.134 1.00 0.00 O ATOM 580 CB VAL A 42 3.385 8.602 2.672 1.00 0.00 C ATOM 581 CG1 VAL A 42 2.929 7.386 3.479 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.326 9.485 3.495 1.00 0.00 C ATOM 0 H VAL A 42 3.410 9.772 0.164 1.00 0.00 H new ATOM 0 HA VAL A 42 4.996 7.711 1.624 1.00 0.00 H new ATOM 0 HB VAL A 42 2.501 9.191 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.464 7.719 4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.208 6.812 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.790 6.759 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.833 9.776 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.236 8.931 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.580 10.378 2.923 1.00 0.00 H new ATOM 592 N PHE A 43 3.606 5.875 0.782 1.00 0.00 N ATOM 593 CA PHE A 43 2.921 4.779 0.118 1.00 0.00 C ATOM 594 C PHE A 43 1.773 4.248 0.979 1.00 0.00 C ATOM 595 O PHE A 43 1.666 3.043 1.203 1.00 0.00 O ATOM 596 CB PHE A 43 3.949 3.664 -0.084 1.00 0.00 C ATOM 597 CG PHE A 43 4.887 3.890 -1.271 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.545 5.074 -1.403 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.064 2.908 -2.195 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.416 5.283 -2.505 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.934 3.118 -3.297 1.00 0.00 C ATOM 602 CZ PHE A 43 6.592 4.301 -3.428 1.00 0.00 C ATOM 0 H PHE A 43 4.378 5.592 1.386 1.00 0.00 H new ATOM 0 HA PHE A 43 2.502 5.122 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.545 3.565 0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.423 2.720 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.405 5.854 -0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.543 1.968 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.939 6.222 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.073 2.338 -4.031 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.255 4.460 -4.266 1.00 0.00 H new ATOM 612 N SER A 44 0.943 5.173 1.438 1.00 0.00 N ATOM 613 CA SER A 44 -0.193 4.813 2.269 1.00 0.00 C ATOM 614 C SER A 44 -1.475 5.421 1.696 1.00 0.00 C ATOM 615 O SER A 44 -1.738 6.609 1.878 1.00 0.00 O ATOM 616 CB SER A 44 0.013 5.274 3.713 1.00 0.00 C ATOM 617 OG SER A 44 -1.221 5.409 4.412 1.00 0.00 O ATOM 0 H SER A 44 1.035 6.171 1.250 1.00 0.00 H new ATOM 0 HA SER A 44 -0.283 3.727 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.649 4.558 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.538 6.229 3.717 1.00 0.00 H new ATOM 0 HG SER A 44 -1.046 5.703 5.330 1.00 0.00 H new ATOM 623 N ALA A 45 -2.238 4.580 1.014 1.00 0.00 N ATOM 624 CA ALA A 45 -3.486 5.020 0.413 1.00 0.00 C ATOM 625 C ALA A 45 -4.644 4.214 1.005 1.00 0.00 C ATOM 626 O ALA A 45 -4.515 3.013 1.235 1.00 0.00 O ATOM 627 CB ALA A 45 -3.396 4.881 -1.108 1.00 0.00 C ATOM 0 H ALA A 45 -2.016 3.596 0.864 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.670 6.071 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.332 5.211 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.577 5.495 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.216 3.838 -1.368 1.00 0.00 H new ATOM 633 N THR A 46 -5.749 4.908 1.235 1.00 0.00 N ATOM 634 CA THR A 46 -6.929 4.272 1.795 1.00 0.00 C ATOM 635 C THR A 46 -8.111 4.399 0.832 1.00 0.00 C ATOM 636 O THR A 46 -8.695 5.473 0.699 1.00 0.00 O ATOM 637 CB THR A 46 -7.194 4.893 3.168 1.00 0.00 C ATOM 638 OG1 THR A 46 -6.007 4.620 3.907 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.292 4.159 3.941 1.00 0.00 C ATOM 0 H THR A 46 -5.852 5.905 1.044 1.00 0.00 H new ATOM 0 HA THR A 46 -6.775 3.202 1.931 1.00 0.00 H new ATOM 0 HB THR A 46 -7.475 5.939 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.092 4.990 4.811 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.440 4.640 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.222 4.193 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.997 3.121 4.094 1.00 0.00 H new ATOM 647 N LEU A 47 -8.429 3.287 0.186 1.00 0.00 N ATOM 648 CA LEU A 47 -9.531 3.260 -0.760 1.00 0.00 C ATOM 649 C LEU A 47 -10.774 2.688 -0.074 1.00 0.00 C ATOM 650 O LEU A 47 -10.669 2.029 0.959 1.00 0.00 O ATOM 651 CB LEU A 47 -9.129 2.506 -2.030 1.00 0.00 C ATOM 652 CG LEU A 47 -7.816 2.945 -2.682 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.389 1.958 -3.771 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.919 4.376 -3.214 1.00 0.00 C ATOM 0 H LEU A 47 -7.942 2.398 0.299 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.781 4.271 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.056 1.445 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.929 2.614 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.037 2.941 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.453 2.293 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.248 0.970 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.161 1.907 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.972 4.663 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.714 4.431 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.144 5.055 -2.391 1.00 0.00 H new ATOM 666 N GLY A 48 -11.922 2.963 -0.675 1.00 0.00 N ATOM 667 CA GLY A 48 -13.183 2.485 -0.135 1.00 0.00 C ATOM 668 C GLY A 48 -14.246 2.384 -1.230 1.00 0.00 C ATOM 669 O GLY A 48 -14.348 3.263 -2.084 1.00 0.00 O ATOM 0 H GLY A 48 -12.005 3.511 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.038 1.508 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.526 3.160 0.649 1.00 0.00 H new ATOM 673 N LEU A 49 -15.011 1.304 -1.170 1.00 0.00 N ATOM 674 CA LEU A 49 -16.063 1.077 -2.147 1.00 0.00 C ATOM 675 C LEU A 49 -17.262 0.424 -1.456 1.00 0.00 C ATOM 676 O LEU A 49 -17.097 -0.497 -0.658 1.00 0.00 O ATOM 677 CB LEU A 49 -15.527 0.276 -3.335 1.00 0.00 C ATOM 678 CG LEU A 49 -16.501 0.065 -4.496 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.181 1.009 -5.658 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.521 -1.400 -4.937 1.00 0.00 C ATOM 0 H LEU A 49 -14.924 0.577 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.409 2.024 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.640 0.781 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.206 -0.701 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.505 0.310 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.888 0.839 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.259 2.042 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.168 0.819 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.221 -1.522 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.523 -1.696 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -16.833 -2.027 -4.102 1.00 0.00 H new ATOM 692 N VAL A 50 -18.442 0.927 -1.789 1.00 0.00 N ATOM 693 CA VAL A 50 -19.668 0.405 -1.210 1.00 0.00 C ATOM 694 C VAL A 50 -20.785 0.463 -2.255 1.00 0.00 C ATOM 695 O VAL A 50 -21.077 1.527 -2.797 1.00 0.00 O ATOM 696 CB VAL A 50 -20.008 1.167 0.072 1.00 0.00 C ATOM 697 CG1 VAL A 50 -19.722 2.662 -0.087 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.462 0.928 0.483 1.00 0.00 C ATOM 0 H VAL A 50 -18.575 1.690 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.542 -0.640 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.368 0.786 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.972 3.181 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.665 2.809 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -20.324 3.063 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.677 1.481 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -22.125 1.269 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.621 -0.136 0.657 1.00 0.00 H new ATOM 708 N ASP A 51 -21.378 -0.695 -2.505 1.00 0.00 N ATOM 709 CA ASP A 51 -22.456 -0.789 -3.474 1.00 0.00 C ATOM 710 C ASP A 51 -23.742 -0.238 -2.856 1.00 0.00 C ATOM 711 O ASP A 51 -23.952 -0.350 -1.649 1.00 0.00 O ATOM 712 CB ASP A 51 -22.710 -2.243 -3.876 1.00 0.00 C ATOM 713 CG ASP A 51 -23.009 -2.461 -5.361 1.00 0.00 C ATOM 714 OD1 ASP A 51 -23.960 -1.813 -5.850 1.00 0.00 O ATOM 715 OD2 ASP A 51 -22.281 -3.271 -5.973 1.00 0.00 O ATOM 0 H ASP A 51 -21.132 -1.576 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.167 -0.216 -4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.837 -2.837 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.548 -2.624 -3.292 1.00 0.00 H new ATOM 720 N ILE A 52 -24.570 0.345 -3.711 1.00 0.00 N ATOM 721 CA ILE A 52 -25.830 0.914 -3.263 1.00 0.00 C ATOM 722 C ILE A 52 -26.926 -0.149 -3.357 1.00 0.00 C ATOM 723 O ILE A 52 -27.845 -0.172 -2.538 1.00 0.00 O ATOM 724 CB ILE A 52 -26.146 2.194 -4.040 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.558 2.691 -3.726 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.931 1.991 -5.541 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.584 3.473 -2.411 1.00 0.00 C ATOM 0 H ILE A 52 -24.393 0.436 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.763 1.212 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.452 2.970 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.913 3.326 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.240 1.843 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -26.163 2.915 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.892 1.717 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.585 1.195 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.599 3.815 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -27.252 2.828 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.919 4.334 -2.486 1.00 0.00 H new ATOM 739 N VAL A 53 -26.794 -1.003 -4.361 1.00 0.00 N ATOM 740 CA VAL A 53 -27.762 -2.066 -4.572 1.00 0.00 C ATOM 741 C VAL A 53 -27.459 -3.222 -3.616 1.00 0.00 C ATOM 742 O VAL A 53 -28.294 -3.582 -2.788 1.00 0.00 O ATOM 743 CB VAL A 53 -27.762 -2.490 -6.042 1.00 0.00 C ATOM 744 CG1 VAL A 53 -28.303 -3.912 -6.202 1.00 0.00 C ATOM 745 CG2 VAL A 53 -28.556 -1.501 -6.897 1.00 0.00 C ATOM 0 H VAL A 53 -26.031 -0.981 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.770 -1.715 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 53 -26.730 -2.483 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -28.292 -4.189 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.678 -4.605 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -29.325 -3.957 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -28.540 -1.825 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -29.587 -1.461 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -28.107 -0.511 -6.819 1.00 0.00 H new ATOM 755 N LYS A 54 -26.263 -3.772 -3.763 1.00 0.00 N ATOM 756 CA LYS A 54 -25.840 -4.880 -2.924 1.00 0.00 C ATOM 757 C LYS A 54 -25.769 -4.413 -1.468 1.00 0.00 C ATOM 758 O LYS A 54 -25.676 -5.231 -0.554 1.00 0.00 O ATOM 759 CB LYS A 54 -24.530 -5.476 -3.443 1.00 0.00 C ATOM 760 CG LYS A 54 -24.717 -6.082 -4.836 1.00 0.00 C ATOM 761 CD LYS A 54 -24.704 -7.610 -4.775 1.00 0.00 C ATOM 762 CE LYS A 54 -26.105 -8.160 -4.499 1.00 0.00 C ATOM 763 NZ LYS A 54 -26.028 -9.561 -4.027 1.00 0.00 N ATOM 0 H LYS A 54 -25.573 -3.471 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.569 -5.689 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.763 -4.702 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.177 -6.243 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.660 -5.739 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.924 -5.734 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.331 -8.012 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.019 -7.940 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -26.603 -7.544 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -26.708 -8.108 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.987 -9.919 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.572 -10.148 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.470 -9.602 -3.150 1.00 0.00 H new ATOM 777 N GLY A 55 -25.816 -3.100 -1.298 1.00 0.00 N ATOM 778 CA GLY A 55 -25.758 -2.515 0.030 1.00 0.00 C ATOM 779 C GLY A 55 -24.522 -3.000 0.790 1.00 0.00 C ATOM 780 O GLY A 55 -24.466 -2.907 2.015 1.00 0.00 O ATOM 0 H GLY A 55 -25.894 -2.425 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.738 -1.428 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.658 -2.778 0.586 1.00 0.00 H new ATOM 784 N THR A 56 -23.562 -3.508 0.031 1.00 0.00 N ATOM 785 CA THR A 56 -22.330 -4.009 0.617 1.00 0.00 C ATOM 786 C THR A 56 -21.257 -2.918 0.614 1.00 0.00 C ATOM 787 O THR A 56 -21.039 -2.260 -0.402 1.00 0.00 O ATOM 788 CB THR A 56 -21.920 -5.268 -0.148 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.161 -4.939 -1.514 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.856 -6.448 0.121 1.00 0.00 C ATOM 0 H THR A 56 -23.612 -3.583 -0.985 1.00 0.00 H new ATOM 0 HA THR A 56 -22.471 -4.280 1.663 1.00 0.00 H new ATOM 0 HB THR A 56 -20.901 -5.543 0.126 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.920 -5.701 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.520 -7.316 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.847 -6.684 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.869 -6.186 -0.184 1.00 0.00 H new ATOM 798 N ASN A 57 -20.614 -2.762 1.762 1.00 0.00 N ATOM 799 CA ASN A 57 -19.569 -1.763 1.904 1.00 0.00 C ATOM 800 C ASN A 57 -18.213 -2.462 2.016 1.00 0.00 C ATOM 801 O ASN A 57 -18.039 -3.360 2.838 1.00 0.00 O ATOM 802 CB ASN A 57 -19.775 -0.926 3.168 1.00 0.00 C ATOM 803 CG ASN A 57 -18.616 0.052 3.373 1.00 0.00 C ATOM 804 OD1 ASN A 57 -17.600 0.000 2.701 1.00 0.00 O ATOM 805 ND2 ASN A 57 -18.826 0.945 4.336 1.00 0.00 N ATOM 0 H ASN A 57 -20.797 -3.311 2.602 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.604 -1.112 1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -20.712 -0.374 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -19.859 -1.583 4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -18.113 1.642 4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.700 0.933 4.861 1.00 0.00 H new ATOM 812 N SER A 58 -17.286 -2.025 1.176 1.00 0.00 N ATOM 813 CA SER A 58 -15.951 -2.598 1.170 1.00 0.00 C ATOM 814 C SER A 58 -14.911 -1.503 1.417 1.00 0.00 C ATOM 815 O SER A 58 -15.205 -0.318 1.270 1.00 0.00 O ATOM 816 CB SER A 58 -15.664 -3.314 -0.151 1.00 0.00 C ATOM 817 OG SER A 58 -16.571 -4.388 -0.384 1.00 0.00 O ATOM 0 H SER A 58 -17.433 -1.280 0.495 1.00 0.00 H new ATOM 0 HA SER A 58 -15.892 -3.335 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.729 -2.600 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.643 -3.697 -0.142 1.00 0.00 H new ATOM 0 HG SER A 58 -16.356 -4.819 -1.238 1.00 0.00 H new ATOM 823 N TYR A 59 -13.716 -1.940 1.789 1.00 0.00 N ATOM 824 CA TYR A 59 -12.631 -1.012 2.058 1.00 0.00 C ATOM 825 C TYR A 59 -11.273 -1.659 1.776 1.00 0.00 C ATOM 826 O TYR A 59 -10.925 -2.670 2.385 1.00 0.00 O ATOM 827 CB TYR A 59 -12.723 -0.676 3.547 1.00 0.00 C ATOM 828 CG TYR A 59 -12.117 -1.740 4.464 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.766 -1.721 4.746 1.00 0.00 C ATOM 830 CD2 TYR A 59 -12.921 -2.720 5.009 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.195 -2.723 5.608 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.351 -3.722 5.872 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.016 -3.674 6.129 1.00 0.00 C ATOM 834 OH TYR A 59 -10.478 -4.620 6.944 1.00 0.00 O ATOM 0 H TYR A 59 -13.476 -2.924 1.910 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.715 -0.129 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.219 0.273 3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.771 -0.536 3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.137 -0.954 4.320 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.978 -2.736 4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.139 -2.720 5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.969 -4.494 6.305 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.182 -5.233 7.243 1.00 0.00 H new ATOM 844 N TYR A 60 -10.544 -1.051 0.853 1.00 0.00 N ATOM 845 CA TYR A 60 -9.232 -1.555 0.483 1.00 0.00 C ATOM 846 C TYR A 60 -8.126 -0.615 0.967 1.00 0.00 C ATOM 847 O TYR A 60 -8.192 0.593 0.744 1.00 0.00 O ATOM 848 CB TYR A 60 -9.213 -1.600 -1.046 1.00 0.00 C ATOM 849 CG TYR A 60 -7.982 -2.293 -1.633 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.787 -1.611 -1.730 1.00 0.00 C ATOM 851 CD2 TYR A 60 -8.067 -3.601 -2.067 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.628 -2.263 -2.282 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.909 -4.253 -2.619 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.746 -3.552 -2.700 1.00 0.00 C ATOM 855 OH TYR A 60 -4.652 -4.168 -3.222 1.00 0.00 O ATOM 0 H TYR A 60 -10.837 -0.213 0.350 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.056 -2.532 0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.108 -2.115 -1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.261 -0.581 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.721 -0.587 -1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.003 -4.135 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.686 -1.740 -2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.962 -5.276 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.884 -5.085 -3.477 1.00 0.00 H new ATOM 865 N LYS A 61 -7.137 -1.205 1.621 1.00 0.00 N ATOM 866 CA LYS A 61 -6.018 -0.436 2.139 1.00 0.00 C ATOM 867 C LYS A 61 -4.717 -0.964 1.533 1.00 0.00 C ATOM 868 O LYS A 61 -4.523 -2.174 1.428 1.00 0.00 O ATOM 869 CB LYS A 61 -6.029 -0.439 3.669 1.00 0.00 C ATOM 870 CG LYS A 61 -6.083 0.988 4.220 1.00 0.00 C ATOM 871 CD LYS A 61 -4.707 1.654 4.153 1.00 0.00 C ATOM 872 CE LYS A 61 -4.358 2.326 5.482 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.237 3.276 5.304 1.00 0.00 N ATOM 0 H LYS A 61 -7.087 -2.207 1.804 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.106 0.610 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.889 -1.004 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.137 -0.943 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.803 1.575 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.432 0.970 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.950 0.909 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.696 2.394 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.230 2.852 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.088 1.570 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.719 3.373 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.594 2.920 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.610 4.204 5.018 1.00 0.00 H new ATOM 887 N LEU A 62 -3.859 -0.030 1.149 1.00 0.00 N ATOM 888 CA LEU A 62 -2.581 -0.387 0.556 1.00 0.00 C ATOM 889 C LEU A 62 -1.458 0.342 1.297 1.00 0.00 C ATOM 890 O LEU A 62 -1.555 1.541 1.554 1.00 0.00 O ATOM 891 CB LEU A 62 -2.597 -0.120 -0.951 1.00 0.00 C ATOM 892 CG LEU A 62 -1.510 -0.821 -1.768 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.891 -2.274 -2.056 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.200 -0.045 -3.049 1.00 0.00 C ATOM 0 H LEU A 62 -4.024 0.973 1.237 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.395 -1.455 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.569 -0.420 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.507 0.955 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.596 -0.840 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.101 -2.749 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.021 -2.809 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.823 -2.301 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.424 -0.565 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.101 0.028 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.853 0.956 -2.793 1.00 0.00 H new ATOM 906 N GLN A 63 -0.418 -0.413 1.620 1.00 0.00 N ATOM 907 CA GLN A 63 0.722 0.146 2.327 1.00 0.00 C ATOM 908 C GLN A 63 1.997 -0.617 1.963 1.00 0.00 C ATOM 909 O GLN A 63 2.082 -1.826 2.170 1.00 0.00 O ATOM 910 CB GLN A 63 0.488 0.135 3.839 1.00 0.00 C ATOM 911 CG GLN A 63 -0.649 1.083 4.225 1.00 0.00 C ATOM 912 CD GLN A 63 -0.791 1.179 5.745 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.535 0.443 6.373 1.00 0.00 O ATOM 914 NE2 GLN A 63 -0.039 2.125 6.300 1.00 0.00 N ATOM 0 H GLN A 63 -0.341 -1.407 1.405 1.00 0.00 H new ATOM 0 HA GLN A 63 0.843 1.185 2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.249 -0.877 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.402 0.429 4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.458 2.073 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.584 0.731 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.562 2.707 5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.063 2.269 7.309 1.00 0.00 H new ATOM 923 N LEU A 64 2.958 0.122 1.429 1.00 0.00 N ATOM 924 CA LEU A 64 4.226 -0.469 1.035 1.00 0.00 C ATOM 925 C LEU A 64 5.248 -0.266 2.154 1.00 0.00 C ATOM 926 O LEU A 64 5.795 0.825 2.310 1.00 0.00 O ATOM 927 CB LEU A 64 4.677 0.084 -0.319 1.00 0.00 C ATOM 928 CG LEU A 64 6.068 -0.348 -0.789 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.460 -1.694 -0.176 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.147 -0.369 -2.317 1.00 0.00 C ATOM 0 H LEU A 64 2.884 1.125 1.260 1.00 0.00 H new ATOM 0 HA LEU A 64 4.118 -1.544 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.950 -0.218 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.653 1.173 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 64 6.792 0.388 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.452 -1.978 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.469 -1.610 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.738 -2.454 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.145 -0.679 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.411 -1.071 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.941 0.628 -2.706 1.00 0.00 H new ATOM 942 N LEU A 65 5.476 -1.333 2.905 1.00 0.00 N ATOM 943 CA LEU A 65 6.424 -1.286 4.006 1.00 0.00 C ATOM 944 C LEU A 65 7.828 -1.584 3.477 1.00 0.00 C ATOM 945 O LEU A 65 7.993 -2.391 2.563 1.00 0.00 O ATOM 946 CB LEU A 65 5.981 -2.218 5.135 1.00 0.00 C ATOM 947 CG LEU A 65 4.473 -2.310 5.376 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.112 -3.603 6.109 1.00 0.00 C ATOM 949 CD2 LEU A 65 3.959 -1.071 6.113 1.00 0.00 C ATOM 0 H LEU A 65 5.021 -2.236 2.773 1.00 0.00 H new ATOM 0 HA LEU A 65 6.453 -0.287 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.356 -3.219 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.457 -1.889 6.059 1.00 0.00 H new ATOM 0 HG LEU A 65 3.974 -2.339 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.034 -3.643 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.423 -4.459 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.622 -3.630 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.884 -1.162 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.462 -0.986 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.164 -0.182 5.517 1.00 0.00 H new ATOM 961 N GLU A 66 8.805 -0.918 4.075 1.00 0.00 N ATOM 962 CA GLU A 66 10.190 -1.102 3.676 1.00 0.00 C ATOM 963 C GLU A 66 11.024 -1.591 4.862 1.00 0.00 C ATOM 964 O GLU A 66 10.973 -1.006 5.944 1.00 0.00 O ATOM 965 CB GLU A 66 10.769 0.189 3.094 1.00 0.00 C ATOM 966 CG GLU A 66 11.019 1.223 4.194 1.00 0.00 C ATOM 967 CD GLU A 66 11.630 2.501 3.616 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.793 2.421 3.166 1.00 0.00 O ATOM 969 OE2 GLU A 66 10.920 3.529 3.637 1.00 0.00 O ATOM 0 H GLU A 66 8.665 -0.250 4.833 1.00 0.00 H new ATOM 0 HA GLU A 66 10.225 -1.862 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.703 -0.028 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.081 0.599 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.081 1.459 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.687 0.804 4.947 1.00 0.00 H new ATOM 976 N ASP A 67 11.772 -2.657 4.620 1.00 0.00 N ATOM 977 CA ASP A 67 12.615 -3.231 5.655 1.00 0.00 C ATOM 978 C ASP A 67 13.761 -2.266 5.965 1.00 0.00 C ATOM 979 O ASP A 67 14.455 -1.808 5.059 1.00 0.00 O ATOM 980 CB ASP A 67 13.225 -4.557 5.196 1.00 0.00 C ATOM 981 CG ASP A 67 13.492 -5.567 6.314 1.00 0.00 C ATOM 982 OD1 ASP A 67 13.030 -5.297 7.444 1.00 0.00 O ATOM 983 OD2 ASP A 67 14.151 -6.585 6.013 1.00 0.00 O ATOM 0 H ASP A 67 11.812 -3.139 3.722 1.00 0.00 H new ATOM 0 HA ASP A 67 11.997 -3.404 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.557 -5.014 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.164 -4.349 4.682 1.00 0.00 H new ATOM 988 N ASP A 68 13.924 -1.986 7.250 1.00 0.00 N ATOM 989 CA ASP A 68 14.974 -1.083 7.692 1.00 0.00 C ATOM 990 C ASP A 68 16.061 -1.886 8.411 1.00 0.00 C ATOM 991 O ASP A 68 16.537 -1.482 9.470 1.00 0.00 O ATOM 992 CB ASP A 68 14.430 -0.042 8.671 1.00 0.00 C ATOM 993 CG ASP A 68 15.384 1.112 8.985 1.00 0.00 C ATOM 994 OD1 ASP A 68 16.559 1.005 8.572 1.00 0.00 O ATOM 995 OD2 ASP A 68 14.918 2.075 9.631 1.00 0.00 O ATOM 0 H ASP A 68 13.347 -2.368 7.999 1.00 0.00 H new ATOM 0 HA ASP A 68 15.375 -0.576 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.507 0.370 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.171 -0.543 9.604 1.00 0.00 H new ATOM 1051 N ARG A 72 15.077 -4.931 2.312 1.00 0.00 N ATOM 1052 CA ARG A 72 13.928 -5.774 2.033 1.00 0.00 C ATOM 1053 C ARG A 72 12.640 -4.948 2.078 1.00 0.00 C ATOM 1054 O ARG A 72 12.641 -3.816 2.559 1.00 0.00 O ATOM 1055 CB ARG A 72 13.826 -6.919 3.043 1.00 0.00 C ATOM 1056 CG ARG A 72 13.914 -8.277 2.344 1.00 0.00 C ATOM 1057 CD ARG A 72 13.755 -9.422 3.346 1.00 0.00 C ATOM 1058 NE ARG A 72 14.735 -10.491 3.054 1.00 0.00 N ATOM 1059 CZ ARG A 72 15.061 -11.467 3.912 1.00 0.00 C ATOM 1060 NH1 ARG A 72 14.486 -11.515 5.121 1.00 0.00 N ATOM 1061 NH2 ARG A 72 15.961 -12.395 3.561 1.00 0.00 N ATOM 0 HA ARG A 72 14.060 -6.195 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.626 -6.832 3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.884 -6.846 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.140 -8.347 1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.873 -8.366 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.901 -9.051 4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.742 -9.822 3.295 1.00 0.00 H new ATOM 0 HE ARG A 72 15.191 -10.485 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.800 -10.809 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.734 -12.258 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.398 -12.359 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.209 -13.138 4.214 1.00 0.00 H new ATOM 1075 N TYR A 73 11.573 -5.547 1.570 1.00 0.00 N ATOM 1076 CA TYR A 73 10.282 -4.881 1.546 1.00 0.00 C ATOM 1077 C TYR A 73 9.140 -5.899 1.555 1.00 0.00 C ATOM 1078 O TYR A 73 9.325 -7.049 1.160 1.00 0.00 O ATOM 1079 CB TYR A 73 10.238 -4.095 0.235 1.00 0.00 C ATOM 1080 CG TYR A 73 11.301 -3.000 0.129 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.576 -3.315 -0.298 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.987 -1.698 0.461 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.577 -2.285 -0.397 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.989 -0.668 0.362 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.234 -1.012 -0.062 1.00 0.00 C ATOM 1086 OH TYR A 73 14.180 -0.039 -0.156 1.00 0.00 O ATOM 0 H TYR A 73 11.576 -6.486 1.172 1.00 0.00 H new ATOM 0 HA TYR A 73 10.163 -4.242 2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.362 -4.789 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.252 -3.642 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.822 -4.334 -0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.990 -1.451 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.578 -2.518 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.756 0.355 0.619 1.00 0.00 H new ATOM 0 HH TYR A 73 14.813 -0.266 -0.869 1.00 0.00 H new ATOM 1096 N TRP A 74 7.983 -5.439 2.011 1.00 0.00 N ATOM 1097 CA TRP A 74 6.811 -6.295 2.076 1.00 0.00 C ATOM 1098 C TRP A 74 5.659 -5.573 1.375 1.00 0.00 C ATOM 1099 O TRP A 74 5.742 -4.375 1.109 1.00 0.00 O ATOM 1100 CB TRP A 74 6.488 -6.672 3.524 1.00 0.00 C ATOM 1101 CG TRP A 74 7.411 -7.743 4.109 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.268 -9.074 4.055 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.633 -7.517 4.843 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.303 -9.721 4.698 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.160 -8.744 5.192 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.271 -6.317 5.200 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.350 -8.889 5.916 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.459 -6.479 5.923 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.003 -7.706 6.282 1.00 0.00 C ATOM 0 H TRP A 74 7.833 -4.485 2.339 1.00 0.00 H new ATOM 0 HA TRP A 74 6.993 -7.239 1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.548 -5.777 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.459 -7.027 3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.445 -9.577 3.569 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.418 -10.730 4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.876 -5.347 4.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.743 -9.861 6.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.990 -5.587 6.223 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.926 -7.747 6.841 1.00 0.00 H new ATOM 1120 N ILE A 75 4.610 -6.333 1.095 1.00 0.00 N ATOM 1121 CA ILE A 75 3.442 -5.781 0.430 1.00 0.00 C ATOM 1122 C ILE A 75 2.190 -6.119 1.242 1.00 0.00 C ATOM 1123 O ILE A 75 1.703 -7.247 1.196 1.00 0.00 O ATOM 1124 CB ILE A 75 3.379 -6.255 -1.023 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.402 -5.514 -1.887 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.960 -6.129 -1.580 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.889 -4.125 -2.273 1.00 0.00 C ATOM 0 H ILE A 75 4.545 -7.326 1.317 1.00 0.00 H new ATOM 0 HA ILE A 75 3.508 -4.694 0.384 1.00 0.00 H new ATOM 0 HB ILE A 75 3.642 -7.312 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.342 -5.420 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.610 -6.092 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.943 -6.473 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.280 -6.738 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.644 -5.087 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.635 -3.619 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.961 -4.223 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.705 -3.541 -1.371 1.00 0.00 H new ATOM 1139 N PHE A 76 1.706 -5.121 1.966 1.00 0.00 N ATOM 1140 CA PHE A 76 0.521 -5.298 2.787 1.00 0.00 C ATOM 1141 C PHE A 76 -0.746 -4.940 2.007 1.00 0.00 C ATOM 1142 O PHE A 76 -0.786 -3.922 1.316 1.00 0.00 O ATOM 1143 CB PHE A 76 0.656 -4.350 3.980 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.485 -4.457 4.993 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.496 -5.471 5.900 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.489 -3.540 4.987 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.555 -5.571 6.841 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.548 -3.639 5.928 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.558 -4.653 6.835 1.00 0.00 C ATOM 0 H PHE A 76 2.113 -4.187 2.001 1.00 0.00 H new ATOM 0 HA PHE A 76 0.440 -6.338 3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.599 -4.554 4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.707 -3.325 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.301 -6.200 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.481 -2.736 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.564 -6.376 7.561 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.345 -2.910 5.924 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.363 -4.729 7.551 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.748 -5.795 2.142 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.012 -5.581 1.458 1.00 0.00 C ATOM 1161 C ARG A 77 -4.178 -6.011 2.351 1.00 0.00 C ATOM 1162 O ARG A 77 -4.318 -7.191 2.669 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.068 -6.365 0.146 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.686 -6.442 -0.506 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.670 -7.470 -1.639 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.480 -8.341 -1.515 1.00 0.00 N ATOM 1167 CZ ARG A 77 -0.041 -9.156 -2.484 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -0.691 -9.216 -3.655 1.00 0.00 N ATOM 1169 NH2 ARG A 77 1.048 -9.910 -2.283 1.00 0.00 N ATOM 0 H ARG A 77 -1.711 -6.638 2.715 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.093 -4.517 1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.441 -7.371 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.770 -5.888 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.409 -5.462 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.941 -6.710 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.577 -8.073 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.660 -6.961 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 77 0.039 -8.320 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.520 -8.641 -3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.357 -9.836 -4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.543 -9.864 -1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.382 -10.530 -3.021 1.00 0.00 H new ATOM 1183 N SER A 78 -4.985 -5.031 2.729 1.00 0.00 N ATOM 1184 CA SER A 78 -6.134 -5.293 3.579 1.00 0.00 C ATOM 1185 C SER A 78 -7.426 -5.144 2.773 1.00 0.00 C ATOM 1186 O SER A 78 -7.529 -4.267 1.916 1.00 0.00 O ATOM 1187 CB SER A 78 -6.151 -4.354 4.787 1.00 0.00 C ATOM 1188 OG SER A 78 -6.925 -3.183 4.543 1.00 0.00 O ATOM 0 H SER A 78 -4.866 -4.054 2.462 1.00 0.00 H new ATOM 0 HA SER A 78 -6.060 -6.316 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.555 -4.882 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.130 -4.068 5.038 1.00 0.00 H new ATOM 0 HG SER A 78 -7.045 -2.690 5.381 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.378 -6.013 3.075 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.659 -5.990 2.389 1.00 0.00 C ATOM 1196 C TRP A 79 -10.700 -6.630 3.310 1.00 0.00 C ATOM 1197 O TRP A 79 -10.349 -7.276 4.295 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.563 -6.676 1.026 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.282 -8.178 1.104 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.144 -9.166 1.381 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.011 -8.827 0.890 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.525 -10.399 1.361 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.186 -10.186 1.053 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.755 -8.284 0.569 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.148 -11.115 0.915 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.727 -9.225 0.434 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.887 -10.597 0.595 1.00 0.00 C ATOM 0 H TRP A 79 -8.288 -6.739 3.786 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.965 -4.966 2.177 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.496 -6.519 0.485 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.774 -6.199 0.445 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.192 -9.016 1.593 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.968 -11.300 1.539 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.595 -7.224 0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.311 -12.174 1.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.741 -8.860 0.188 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.043 -11.260 0.474 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.961 -6.427 2.955 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.055 -6.976 3.737 1.00 0.00 C ATOM 1220 C GLY A 80 -14.158 -5.936 3.943 1.00 0.00 C ATOM 1221 O GLY A 80 -13.917 -4.737 3.814 1.00 0.00 O ATOM 0 H GLY A 80 -12.249 -5.890 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.465 -7.851 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.682 -7.312 4.704 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.345 -6.433 4.259 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.485 -5.561 4.484 1.00 0.00 C ATOM 1227 C ARG A 81 -16.192 -4.587 5.627 1.00 0.00 C ATOM 1228 O ARG A 81 -15.165 -4.699 6.295 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.739 -6.371 4.823 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.686 -6.442 3.624 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.789 -7.477 3.857 1.00 0.00 C ATOM 1232 NE ARG A 81 -21.108 -6.809 3.908 1.00 0.00 N ATOM 1233 CZ ARG A 81 -22.237 -7.405 4.315 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -22.214 -8.686 4.709 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -23.389 -6.721 4.329 1.00 0.00 N ATOM 0 H ARG A 81 -15.542 -7.428 4.364 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.663 -5.004 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.455 -7.379 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.252 -5.916 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.132 -5.463 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.124 -6.700 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.778 -8.218 3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -19.607 -8.011 4.789 1.00 0.00 H new ATOM 0 HE ARG A 81 -21.161 -5.833 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -21.337 -9.207 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -23.073 -9.140 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -23.407 -5.746 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -24.248 -7.175 4.639 1.00 0.00 H new ATOM 1328 N SER A 88 -9.392 -9.718 6.391 1.00 0.00 N ATOM 1329 CA SER A 88 -8.200 -10.472 6.043 1.00 0.00 C ATOM 1330 C SER A 88 -7.139 -9.536 5.462 1.00 0.00 C ATOM 1331 O SER A 88 -7.468 -8.494 4.897 1.00 0.00 O ATOM 1332 CB SER A 88 -8.525 -11.589 5.049 1.00 0.00 C ATOM 1333 OG SER A 88 -8.638 -12.857 5.688 1.00 0.00 O ATOM 0 HA SER A 88 -7.810 -10.933 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.458 -11.357 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.746 -11.635 4.288 1.00 0.00 H new ATOM 0 HG SER A 88 -8.848 -13.543 5.020 1.00 0.00 H new ATOM 1339 N ASN A 89 -5.887 -9.941 5.621 1.00 0.00 N ATOM 1340 CA ASN A 89 -4.776 -9.151 5.118 1.00 0.00 C ATOM 1341 C ASN A 89 -3.767 -10.075 4.434 1.00 0.00 C ATOM 1342 O ASN A 89 -3.787 -11.286 4.645 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.056 -8.426 6.258 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.720 -9.392 7.396 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -4.559 -9.760 8.201 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -2.448 -9.780 7.417 1.00 0.00 N ATOM 0 H ASN A 89 -5.618 -10.805 6.091 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.174 -8.417 4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.141 -7.969 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.684 -7.619 6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.123 -10.424 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -1.797 -9.433 6.712 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.909 -9.467 3.628 1.00 0.00 N ATOM 1354 CA LYS A 90 -1.894 -10.221 2.911 1.00 0.00 C ATOM 1355 C LYS A 90 -0.524 -9.587 3.159 1.00 0.00 C ATOM 1356 O LYS A 90 -0.382 -8.366 3.109 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.259 -10.336 1.430 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.229 -11.179 0.675 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.842 -12.498 0.199 1.00 0.00 C ATOM 1360 CE LYS A 90 -2.049 -12.490 -1.317 1.00 0.00 C ATOM 1361 NZ LYS A 90 -3.492 -12.469 -1.643 1.00 0.00 N ATOM 0 H LYS A 90 -2.896 -8.462 3.456 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.845 -11.244 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.247 -10.786 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.315 -9.342 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.853 -10.619 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.376 -11.383 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.191 -13.327 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.797 -12.661 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.559 -11.619 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.583 -13.371 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.615 -12.464 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.950 -13.313 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.927 -11.615 -1.239 1.00 0.00 H new ATOM 1375 N LEU A 91 0.451 -10.445 3.422 1.00 0.00 N ATOM 1376 CA LEU A 91 1.805 -9.984 3.678 1.00 0.00 C ATOM 1377 C LEU A 91 2.793 -10.861 2.906 1.00 0.00 C ATOM 1378 O LEU A 91 2.889 -12.062 3.156 1.00 0.00 O ATOM 1379 CB LEU A 91 2.077 -9.929 5.183 1.00 0.00 C ATOM 1380 CG LEU A 91 3.333 -9.168 5.610 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.165 -7.663 5.386 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.706 -9.494 7.058 1.00 0.00 C ATOM 0 H LEU A 91 0.330 -11.457 3.463 1.00 0.00 H new ATOM 0 HA LEU A 91 1.934 -8.964 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.216 -9.472 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.151 -10.950 5.556 1.00 0.00 H new ATOM 0 HG LEU A 91 4.161 -9.497 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.072 -7.145 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.982 -7.471 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.321 -7.300 5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.602 -8.940 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.885 -9.212 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.896 -10.563 7.153 1.00 0.00 H new ATOM 1394 N GLU A 92 3.502 -10.228 1.983 1.00 0.00 N ATOM 1395 CA GLU A 92 4.478 -10.936 1.173 1.00 0.00 C ATOM 1396 C GLU A 92 5.755 -10.105 1.034 1.00 0.00 C ATOM 1397 O GLU A 92 5.694 -8.882 0.914 1.00 0.00 O ATOM 1398 CB GLU A 92 3.901 -11.287 -0.200 1.00 0.00 C ATOM 1399 CG GLU A 92 3.116 -12.600 -0.145 1.00 0.00 C ATOM 1400 CD GLU A 92 3.716 -13.637 -1.096 1.00 0.00 C ATOM 1401 OE1 GLU A 92 3.605 -13.415 -2.321 1.00 0.00 O ATOM 1402 OE2 GLU A 92 4.272 -14.629 -0.577 1.00 0.00 O ATOM 0 H GLU A 92 3.420 -9.232 1.778 1.00 0.00 H new ATOM 0 HA GLU A 92 4.728 -11.871 1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.249 -10.483 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.709 -11.372 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.121 -12.989 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.075 -12.417 -0.411 1.00 0.00 H new ATOM 1409 N GLN A 93 6.882 -10.802 1.056 1.00 0.00 N ATOM 1410 CA GLN A 93 8.172 -10.143 0.934 1.00 0.00 C ATOM 1411 C GLN A 93 8.526 -9.939 -0.541 1.00 0.00 C ATOM 1412 O GLN A 93 8.328 -10.834 -1.360 1.00 0.00 O ATOM 1413 CB GLN A 93 9.263 -10.937 1.655 1.00 0.00 C ATOM 1414 CG GLN A 93 10.605 -10.205 1.593 1.00 0.00 C ATOM 1415 CD GLN A 93 11.744 -11.174 1.273 1.00 0.00 C ATOM 1416 OE1 GLN A 93 12.284 -11.199 0.179 1.00 0.00 O ATOM 1417 NE2 GLN A 93 12.079 -11.969 2.286 1.00 0.00 N ATOM 0 H GLN A 93 6.929 -11.816 1.156 1.00 0.00 H new ATOM 0 HA GLN A 93 8.106 -9.165 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.977 -11.093 2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.361 -11.923 1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.563 -9.424 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.799 -9.712 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.586 -11.896 3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.829 -12.651 2.173 1.00 0.00 H new ATOM 1426 N MET A 94 9.043 -8.754 -0.833 1.00 0.00 N ATOM 1427 CA MET A 94 9.427 -8.421 -2.194 1.00 0.00 C ATOM 1428 C MET A 94 10.923 -8.651 -2.414 1.00 0.00 C ATOM 1429 O MET A 94 11.714 -8.556 -1.477 1.00 0.00 O ATOM 1430 CB MET A 94 9.089 -6.956 -2.476 1.00 0.00 C ATOM 1431 CG MET A 94 7.607 -6.791 -2.819 1.00 0.00 C ATOM 1432 SD MET A 94 7.346 -7.096 -4.558 1.00 0.00 S ATOM 1433 CE MET A 94 5.916 -8.162 -4.475 1.00 0.00 C ATOM 0 H MET A 94 9.205 -8.013 -0.151 1.00 0.00 H new ATOM 0 HA MET A 94 8.875 -9.068 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.334 -6.348 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.700 -6.591 -3.302 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.009 -7.483 -2.226 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.276 -5.784 -2.564 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.972 -8.908 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.891 -8.663 -3.507 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.011 -7.567 -4.599 1.00 0.00 H new ATOM 1443 N PRO A 95 11.276 -8.957 -3.691 1.00 0.00 N ATOM 1444 CA PRO A 95 12.664 -9.202 -4.046 1.00 0.00 C ATOM 1445 C PRO A 95 13.453 -7.892 -4.106 1.00 0.00 C ATOM 1446 O PRO A 95 14.496 -7.762 -3.465 1.00 0.00 O ATOM 1447 CB PRO A 95 12.607 -9.922 -5.384 1.00 0.00 C ATOM 1448 CG PRO A 95 11.224 -9.642 -5.949 1.00 0.00 C ATOM 1449 CD PRO A 95 10.367 -9.079 -4.827 1.00 0.00 C ATOM 0 HA PRO A 95 13.187 -9.807 -3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.384 -9.559 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.768 -10.993 -5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.285 -8.933 -6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.781 -10.556 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.942 -8.113 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.532 -9.741 -4.597 1.00 0.00 H new ATOM 1457 N SER A 96 12.926 -6.955 -4.880 1.00 0.00 N ATOM 1458 CA SER A 96 13.569 -5.661 -5.031 1.00 0.00 C ATOM 1459 C SER A 96 12.593 -4.545 -4.653 1.00 0.00 C ATOM 1460 O SER A 96 11.385 -4.683 -4.838 1.00 0.00 O ATOM 1461 CB SER A 96 14.076 -5.461 -6.460 1.00 0.00 C ATOM 1462 OG SER A 96 15.339 -4.801 -6.492 1.00 0.00 O ATOM 0 H SER A 96 12.061 -7.066 -5.409 1.00 0.00 H new ATOM 0 HA SER A 96 14.429 -5.626 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.161 -6.429 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.348 -4.878 -7.024 1.00 0.00 H new ATOM 0 HG SER A 96 15.629 -4.694 -7.422 1.00 0.00 H new ATOM 1468 N LYS A 97 13.153 -3.464 -4.131 1.00 0.00 N ATOM 1469 CA LYS A 97 12.347 -2.325 -3.726 1.00 0.00 C ATOM 1470 C LYS A 97 11.336 -2.003 -4.828 1.00 0.00 C ATOM 1471 O LYS A 97 10.161 -1.769 -4.548 1.00 0.00 O ATOM 1472 CB LYS A 97 13.242 -1.142 -3.348 1.00 0.00 C ATOM 1473 CG LYS A 97 12.405 0.059 -2.903 1.00 0.00 C ATOM 1474 CD LYS A 97 13.294 1.270 -2.616 1.00 0.00 C ATOM 1475 CE LYS A 97 12.762 2.520 -3.321 1.00 0.00 C ATOM 1476 NZ LYS A 97 13.701 3.651 -3.148 1.00 0.00 N ATOM 0 H LYS A 97 14.155 -3.353 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 97 11.776 -2.563 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.919 -1.435 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.861 -0.863 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.682 0.310 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.837 -0.200 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.339 1.446 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.312 1.066 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.622 2.315 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.785 2.785 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.325 4.491 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.814 3.857 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.625 3.401 -3.555 1.00 0.00 H new ATOM 1490 N GLU A 98 11.829 -2.003 -6.058 1.00 0.00 N ATOM 1491 CA GLU A 98 10.983 -1.714 -7.203 1.00 0.00 C ATOM 1492 C GLU A 98 9.823 -2.710 -7.271 1.00 0.00 C ATOM 1493 O GLU A 98 8.659 -2.313 -7.284 1.00 0.00 O ATOM 1494 CB GLU A 98 11.793 -1.726 -8.501 1.00 0.00 C ATOM 1495 CG GLU A 98 12.736 -0.523 -8.570 1.00 0.00 C ATOM 1496 CD GLU A 98 12.759 0.075 -9.978 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.654 0.312 -10.512 1.00 0.00 O ATOM 1498 OE2 GLU A 98 13.881 0.281 -10.489 1.00 0.00 O ATOM 0 H GLU A 98 12.804 -2.199 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 98 10.570 -0.713 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.370 -2.649 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.117 -1.712 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.418 0.235 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.743 -0.828 -8.284 1.00 0.00 H new ATOM 1505 N ASP A 99 10.182 -3.985 -7.313 1.00 0.00 N ATOM 1506 CA ASP A 99 9.186 -5.041 -7.380 1.00 0.00 C ATOM 1507 C ASP A 99 8.089 -4.766 -6.350 1.00 0.00 C ATOM 1508 O ASP A 99 6.942 -5.172 -6.536 1.00 0.00 O ATOM 1509 CB ASP A 99 9.805 -6.403 -7.060 1.00 0.00 C ATOM 1510 CG ASP A 99 10.911 -6.852 -8.017 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.551 -7.326 -9.116 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.090 -6.711 -7.628 1.00 0.00 O ATOM 0 H ASP A 99 11.149 -4.310 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 99 8.780 -5.059 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.211 -6.372 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.015 -7.154 -7.064 1.00 0.00 H new ATOM 1517 N ALA A 100 8.478 -4.079 -5.286 1.00 0.00 N ATOM 1518 CA ALA A 100 7.541 -3.746 -4.227 1.00 0.00 C ATOM 1519 C ALA A 100 6.724 -2.521 -4.642 1.00 0.00 C ATOM 1520 O ALA A 100 5.518 -2.466 -4.405 1.00 0.00 O ATOM 1521 CB ALA A 100 8.306 -3.521 -2.921 1.00 0.00 C ATOM 0 H ALA A 100 9.429 -3.744 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 100 6.843 -4.567 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.603 -3.271 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.847 -4.429 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.014 -2.702 -3.050 1.00 0.00 H new ATOM 1527 N ILE A 101 7.413 -1.569 -5.254 1.00 0.00 N ATOM 1528 CA ILE A 101 6.766 -0.348 -5.703 1.00 0.00 C ATOM 1529 C ILE A 101 5.821 -0.674 -6.862 1.00 0.00 C ATOM 1530 O ILE A 101 4.649 -0.301 -6.836 1.00 0.00 O ATOM 1531 CB ILE A 101 7.809 0.718 -6.043 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.470 1.262 -4.774 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.198 1.833 -6.894 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.978 1.431 -4.970 1.00 0.00 C ATOM 0 H ILE A 101 8.413 -1.619 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 101 6.158 0.077 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 101 8.592 0.251 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.024 2.221 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.282 0.583 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.961 2.577 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.813 1.412 -7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.383 2.305 -6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.423 1.819 -4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.424 0.466 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.163 2.129 -5.787 1.00 0.00 H new ATOM 1546 N GLU A 102 6.366 -1.367 -7.851 1.00 0.00 N ATOM 1547 CA GLU A 102 5.586 -1.748 -9.016 1.00 0.00 C ATOM 1548 C GLU A 102 4.262 -2.383 -8.586 1.00 0.00 C ATOM 1549 O GLU A 102 3.195 -1.966 -9.033 1.00 0.00 O ATOM 1550 CB GLU A 102 6.378 -2.693 -9.922 1.00 0.00 C ATOM 1551 CG GLU A 102 7.768 -2.127 -10.223 1.00 0.00 C ATOM 1552 CD GLU A 102 8.152 -2.365 -11.684 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.997 -3.523 -12.131 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.591 -1.385 -12.323 1.00 0.00 O ATOM 0 H GLU A 102 7.338 -1.675 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 102 5.365 -0.848 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.474 -3.667 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.835 -2.849 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.784 -1.058 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.504 -2.594 -9.569 1.00 0.00 H new ATOM 1561 N HIS A 103 4.375 -3.381 -7.721 1.00 0.00 N ATOM 1562 CA HIS A 103 3.201 -4.077 -7.225 1.00 0.00 C ATOM 1563 C HIS A 103 2.281 -3.086 -6.508 1.00 0.00 C ATOM 1564 O HIS A 103 1.079 -3.051 -6.766 1.00 0.00 O ATOM 1565 CB HIS A 103 3.603 -5.259 -6.341 1.00 0.00 C ATOM 1566 CG HIS A 103 2.544 -6.330 -6.228 1.00 0.00 C ATOM 1567 ND1 HIS A 103 1.806 -6.772 -7.312 1.00 0.00 N ATOM 1568 CD2 HIS A 103 2.109 -7.043 -5.150 1.00 0.00 C ATOM 1569 CE1 HIS A 103 0.967 -7.708 -6.893 1.00 0.00 C ATOM 1570 NE2 HIS A 103 1.156 -7.874 -5.553 1.00 0.00 N ATOM 0 H HIS A 103 5.262 -3.724 -7.352 1.00 0.00 H new ATOM 0 HA HIS A 103 2.643 -4.497 -8.062 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.514 -5.704 -6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.839 -4.889 -5.343 1.00 0.00 H new ATOM 0 HD1 HIS A 103 1.893 -6.435 -8.271 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.478 -6.948 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.258 -8.245 -7.505 1.00 0.00 H new ATOM 1578 N PHE A 104 2.882 -2.306 -5.622 1.00 0.00 N ATOM 1579 CA PHE A 104 2.132 -1.318 -4.865 1.00 0.00 C ATOM 1580 C PHE A 104 1.512 -0.272 -5.794 1.00 0.00 C ATOM 1581 O PHE A 104 0.477 0.312 -5.474 1.00 0.00 O ATOM 1582 CB PHE A 104 3.123 -0.626 -3.927 1.00 0.00 C ATOM 1583 CG PHE A 104 2.534 0.564 -3.167 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.860 0.360 -2.003 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.684 1.824 -3.654 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.313 1.464 -1.297 1.00 0.00 C ATOM 1587 CE2 PHE A 104 2.137 2.928 -2.948 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.463 2.725 -1.785 1.00 0.00 C ATOM 0 H PHE A 104 3.879 -2.338 -5.411 1.00 0.00 H new ATOM 0 HA PHE A 104 1.324 -1.803 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.496 -1.355 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.980 -0.285 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.741 -0.641 -1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.219 1.986 -4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.778 1.303 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.256 3.929 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.047 3.565 -1.248 1.00 0.00 H new ATOM 1598 N MET A 105 2.170 -0.067 -6.925 1.00 0.00 N ATOM 1599 CA MET A 105 1.697 0.899 -7.903 1.00 0.00 C ATOM 1600 C MET A 105 0.627 0.283 -8.807 1.00 0.00 C ATOM 1601 O MET A 105 -0.317 0.962 -9.209 1.00 0.00 O ATOM 1602 CB MET A 105 2.872 1.381 -8.756 1.00 0.00 C ATOM 1603 CG MET A 105 3.559 2.586 -8.111 1.00 0.00 C ATOM 1604 SD MET A 105 3.754 3.892 -9.312 1.00 0.00 S ATOM 1605 CE MET A 105 4.611 3.002 -10.601 1.00 0.00 C ATOM 0 H MET A 105 3.028 -0.553 -7.187 1.00 0.00 H new ATOM 0 HA MET A 105 1.256 1.741 -7.370 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.591 0.572 -8.881 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.518 1.649 -9.751 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.969 2.942 -7.266 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.533 2.293 -7.719 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.273 3.683 -11.135 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.199 2.197 -10.159 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.885 2.581 -11.297 1.00 0.00 H new ATOM 1615 N LYS A 106 0.811 -0.995 -9.102 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.126 -1.710 -9.952 1.00 0.00 C ATOM 1617 C LYS A 106 -1.361 -2.091 -9.134 1.00 0.00 C ATOM 1618 O LYS A 106 -2.489 -1.951 -9.605 1.00 0.00 O ATOM 1619 CB LYS A 106 0.560 -2.902 -10.622 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.414 -4.069 -10.794 1.00 0.00 C ATOM 1621 CD LYS A 106 0.295 -5.295 -11.374 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.136 -5.544 -12.821 1.00 0.00 C ATOM 1623 NZ LYS A 106 1.046 -5.624 -13.708 1.00 0.00 N ATOM 0 H LYS A 106 1.596 -1.554 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.467 -1.070 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.950 -2.602 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.412 -3.220 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.857 -4.323 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.231 -3.772 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.374 -5.149 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.068 -6.172 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.707 -6.470 -12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.794 -4.741 -13.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.735 -5.793 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.575 -4.730 -13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.659 -6.405 -13.400 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.107 -2.564 -7.923 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.184 -2.967 -7.035 1.00 0.00 C ATOM 1639 C LEU A 107 -3.199 -1.827 -6.923 1.00 0.00 C ATOM 1640 O LEU A 107 -4.376 -2.006 -7.235 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.625 -3.426 -5.687 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.328 -4.921 -5.559 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.886 -5.272 -4.137 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.526 -5.759 -6.010 1.00 0.00 C ATOM 0 H LEU A 107 -0.170 -2.677 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.713 -3.828 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.705 -2.875 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.335 -3.149 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.498 -5.162 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.681 -6.341 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.017 -4.714 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.678 -5.012 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.288 -6.818 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.391 -5.521 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.754 -5.536 -7.052 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.708 -0.681 -6.477 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.557 0.488 -6.321 1.00 0.00 C ATOM 1658 C TYR A 108 -4.113 0.947 -7.670 1.00 0.00 C ATOM 1659 O TYR A 108 -4.996 1.801 -7.724 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.660 1.588 -5.751 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.396 2.893 -5.442 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.554 3.847 -6.427 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.901 3.118 -4.177 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.247 5.075 -6.136 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.594 4.346 -3.886 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.732 5.264 -4.880 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.387 6.424 -4.604 1.00 0.00 O ATOM 0 H TYR A 108 -1.732 -0.536 -6.218 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.404 0.262 -5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.190 1.223 -4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.859 1.794 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.158 3.672 -7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.776 2.373 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.379 5.829 -6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.995 4.534 -2.901 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.679 6.420 -3.668 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.572 0.359 -8.728 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.003 0.696 -10.074 1.00 0.00 C ATOM 1679 C GLU A 109 -5.100 -0.265 -10.537 1.00 0.00 C ATOM 1680 O GLU A 109 -5.851 0.044 -11.460 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.821 0.689 -11.045 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.303 0.767 -12.495 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.122 0.760 -13.467 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.272 -0.146 -13.322 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.094 1.661 -14.334 1.00 0.00 O ATOM 0 H GLU A 109 -2.839 -0.349 -8.680 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.414 1.705 -10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.164 1.532 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.233 -0.218 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.960 -0.076 -12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.891 1.674 -12.638 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.156 -1.411 -9.875 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.148 -2.419 -10.207 1.00 0.00 C ATOM 1694 C GLU A 110 -7.484 -2.091 -9.536 1.00 0.00 C ATOM 1695 O GLU A 110 -8.538 -2.194 -10.161 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.665 -3.816 -9.811 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.206 -4.214 -8.437 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.760 -5.629 -8.061 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -5.849 -6.506 -8.947 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -5.340 -5.801 -6.897 1.00 0.00 O ATOM 0 H GLU A 110 -4.530 -1.664 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.295 -2.413 -11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.989 -4.542 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.575 -3.837 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.856 -3.507 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.295 -4.161 -8.442 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.395 -1.702 -8.273 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.584 -1.358 -7.511 1.00 0.00 C ATOM 1709 C LYS A 111 -9.243 -0.125 -8.131 1.00 0.00 C ATOM 1710 O LYS A 111 -10.363 -0.202 -8.633 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.240 -1.192 -6.029 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.699 -2.497 -5.442 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.825 -3.512 -5.231 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.280 -4.941 -5.223 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.075 -5.794 -4.311 1.00 0.00 N ATOM 0 H LYS A 111 -6.519 -1.617 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.314 -2.166 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.499 -0.401 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.128 -0.882 -5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.947 -2.916 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.204 -2.295 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.332 -3.307 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.568 -3.407 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.308 -5.353 -6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.236 -4.937 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.854 -6.794 -4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.842 -5.559 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.088 -5.629 -4.476 1.00 0.00 H new ATOM 1729 N THR A 112 -8.520 0.984 -8.076 1.00 0.00 N ATOM 1730 CA THR A 112 -9.021 2.232 -8.626 1.00 0.00 C ATOM 1731 C THR A 112 -9.116 2.143 -10.150 1.00 0.00 C ATOM 1732 O THR A 112 -10.026 2.710 -10.754 1.00 0.00 O ATOM 1733 CB THR A 112 -8.111 3.362 -8.140 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.912 3.190 -8.890 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.671 3.175 -6.686 1.00 0.00 C ATOM 0 H THR A 112 -7.591 1.044 -7.659 1.00 0.00 H new ATOM 0 HA THR A 112 -10.034 2.438 -8.280 1.00 0.00 H new ATOM 0 HB THR A 112 -8.630 4.315 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.394 2.448 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.027 4.004 -6.391 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.549 3.150 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.123 2.238 -6.589 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.164 1.426 -10.730 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.129 1.255 -12.172 1.00 0.00 C ATOM 1745 C GLY A 113 -7.179 2.263 -12.821 1.00 0.00 C ATOM 1746 O GLY A 113 -6.703 2.046 -13.935 1.00 0.00 O ATOM 0 H GLY A 113 -7.411 0.957 -10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.810 0.241 -12.414 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.132 1.380 -12.581 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.930 3.345 -12.097 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.045 4.387 -12.589 1.00 0.00 C ATOM 1752 C ASN A 114 -4.661 4.212 -11.962 1.00 0.00 C ATOM 1753 O ASN A 114 -4.541 3.730 -10.836 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.564 5.775 -12.208 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.440 6.357 -13.320 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -6.997 7.126 -14.156 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.705 5.946 -13.283 1.00 0.00 N ATOM 0 H ASN A 114 -7.326 3.522 -11.174 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.998 4.305 -13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.138 5.711 -11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.723 6.442 -12.016 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.369 6.276 -13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.010 5.300 -12.555 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.649 4.613 -12.717 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.277 4.507 -12.249 1.00 0.00 C ATOM 1766 C ALA A 115 -2.108 5.351 -10.984 1.00 0.00 C ATOM 1767 O ALA A 115 -2.759 6.382 -10.829 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.322 4.932 -13.366 1.00 0.00 C ATOM 0 H ALA A 115 -3.751 5.012 -13.650 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.038 3.475 -11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.293 4.852 -13.015 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.462 4.283 -14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.530 5.964 -13.649 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.228 4.880 -10.111 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.965 5.579 -8.865 1.00 0.00 C ATOM 1776 C TRP A 116 -0.528 7.005 -9.205 1.00 0.00 C ATOM 1777 O TRP A 116 -1.149 7.970 -8.764 1.00 0.00 O ATOM 1778 CB TRP A 116 0.064 4.824 -8.020 1.00 0.00 C ATOM 1779 CG TRP A 116 0.779 5.695 -6.985 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.717 6.627 -7.199 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.575 5.675 -5.557 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.131 7.208 -6.017 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.414 6.611 -4.987 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.290 4.893 -4.772 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.470 6.852 -3.609 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.222 5.146 -3.397 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.617 6.084 -2.808 1.00 0.00 C ATOM 0 H TRP A 116 -0.689 4.024 -10.242 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.866 5.628 -8.253 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.435 4.003 -7.506 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.807 4.380 -8.682 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.101 6.891 -8.173 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.834 7.941 -5.918 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.955 4.155 -5.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.135 7.591 -3.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.867 4.572 -2.748 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.611 6.220 -1.737 1.00 0.00 H new ATOM 1798 N HIS A 117 0.539 7.092 -9.986 1.00 0.00 N ATOM 1799 CA HIS A 117 1.066 8.385 -10.391 1.00 0.00 C ATOM 1800 C HIS A 117 0.384 8.836 -11.683 1.00 0.00 C ATOM 1801 O HIS A 117 1.020 8.908 -12.733 1.00 0.00 O ATOM 1802 CB HIS A 117 2.591 8.335 -10.511 1.00 0.00 C ATOM 1803 CG HIS A 117 3.313 9.252 -9.553 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.834 8.815 -8.347 1.00 0.00 N ATOM 1805 CD2 HIS A 117 3.595 10.584 -9.635 1.00 0.00 C ATOM 1806 CE1 HIS A 117 4.402 9.847 -7.739 1.00 0.00 C ATOM 1807 NE2 HIS A 117 4.252 10.942 -8.538 1.00 0.00 N ATOM 0 H HIS A 117 1.053 6.289 -10.349 1.00 0.00 H new ATOM 0 HA HIS A 117 0.843 9.129 -9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.925 7.312 -10.340 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.874 8.596 -11.531 1.00 0.00 H new ATOM 0 HD1 HIS A 117 3.789 7.862 -7.988 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.329 11.237 -10.453 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.897 9.825 -6.779 1.00 0.00 H new ATOM 1815 N SER A 118 -0.903 9.128 -11.564 1.00 0.00 N ATOM 1816 CA SER A 118 -1.680 9.570 -12.710 1.00 0.00 C ATOM 1817 C SER A 118 -2.513 10.797 -12.335 1.00 0.00 C ATOM 1818 O SER A 118 -2.811 11.015 -11.162 1.00 0.00 O ATOM 1819 CB SER A 118 -2.586 8.451 -13.226 1.00 0.00 C ATOM 1820 OG SER A 118 -3.221 8.801 -14.453 1.00 0.00 O ATOM 0 H SER A 118 -1.427 9.067 -10.691 1.00 0.00 H new ATOM 0 HA SER A 118 -0.989 9.838 -13.509 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.998 7.545 -13.368 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.345 8.224 -12.477 1.00 0.00 H new ATOM 0 HG SER A 118 -3.789 8.060 -14.750 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.865 11.567 -13.354 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.658 12.767 -13.146 1.00 0.00 C ATOM 1828 C LYS A 119 -5.109 12.489 -13.543 1.00 0.00 C ATOM 1829 O LYS A 119 -5.377 11.598 -14.347 1.00 0.00 O ATOM 1830 CB LYS A 119 -3.036 13.955 -13.883 1.00 0.00 C ATOM 1831 CG LYS A 119 -3.531 15.281 -13.303 1.00 0.00 C ATOM 1832 CD LYS A 119 -2.483 16.382 -13.478 1.00 0.00 C ATOM 1833 CE LYS A 119 -3.002 17.492 -14.394 1.00 0.00 C ATOM 1834 NZ LYS A 119 -1.875 18.278 -14.944 1.00 0.00 N ATOM 0 H LYS A 119 -2.616 11.383 -14.326 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.662 13.043 -12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.950 13.905 -13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.286 13.902 -14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.458 15.574 -13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.759 15.156 -12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.223 16.800 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.570 15.957 -13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.582 17.058 -15.208 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.673 18.147 -13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.244 19.027 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.338 18.707 -14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.250 17.653 -15.492 1.00 0.00 H new ATOM 1848 N ASN A 120 -6.008 13.268 -12.959 1.00 0.00 N ATOM 1849 CA ASN A 120 -7.426 13.116 -13.241 1.00 0.00 C ATOM 1850 C ASN A 120 -7.885 11.728 -12.792 1.00 0.00 C ATOM 1851 O ASN A 120 -7.284 10.721 -13.163 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.706 13.246 -14.739 1.00 0.00 C ATOM 1853 CG ASN A 120 -8.758 14.323 -15.010 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -8.498 15.513 -14.938 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -9.957 13.841 -15.323 1.00 0.00 N ATOM 0 H ASN A 120 -5.782 14.006 -12.292 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.963 13.899 -12.705 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.784 13.493 -15.265 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -8.050 12.290 -15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -10.728 14.479 -15.521 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -10.106 12.833 -15.366 1.00 0.00 H new ATOM 1862 N PHE A 121 -8.947 11.718 -12.000 1.00 0.00 N ATOM 1863 CA PHE A 121 -9.494 10.470 -11.496 1.00 0.00 C ATOM 1864 C PHE A 121 -10.939 10.277 -11.961 1.00 0.00 C ATOM 1865 O PHE A 121 -11.799 11.115 -11.691 1.00 0.00 O ATOM 1866 CB PHE A 121 -9.469 10.555 -9.969 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.787 9.233 -9.267 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.813 8.297 -9.106 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -11.043 8.993 -8.805 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -9.108 7.070 -8.455 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -11.338 7.766 -8.154 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.364 6.830 -7.992 1.00 0.00 C ATOM 0 H PHE A 121 -9.444 12.555 -11.695 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.906 9.630 -11.866 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.484 10.896 -9.650 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.187 11.308 -9.645 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.815 8.487 -9.473 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.816 9.736 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.335 6.327 -8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -12.336 7.576 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.588 5.897 -7.496 1.00 0.00 H new ATOM 1882 N THR A 122 -11.162 9.169 -12.653 1.00 0.00 N ATOM 1883 CA THR A 122 -12.488 8.856 -13.158 1.00 0.00 C ATOM 1884 C THR A 122 -13.159 7.801 -12.276 1.00 0.00 C ATOM 1885 O THR A 122 -12.680 6.672 -12.180 1.00 0.00 O ATOM 1886 CB THR A 122 -12.348 8.427 -14.620 1.00 0.00 C ATOM 1887 OG1 THR A 122 -12.019 9.633 -15.305 1.00 0.00 O ATOM 1888 CG2 THR A 122 -13.682 8.000 -15.235 1.00 0.00 C ATOM 0 H THR A 122 -10.447 8.477 -12.876 1.00 0.00 H new ATOM 0 HA THR A 122 -13.141 9.728 -13.122 1.00 0.00 H new ATOM 0 HB THR A 122 -11.637 7.604 -14.691 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.908 9.447 -16.261 1.00 0.00 H new ATOM 0 HG21 THR A 122 -13.526 7.705 -16.273 1.00 0.00 H new ATOM 0 HG22 THR A 122 -14.087 7.157 -14.675 1.00 0.00 H new ATOM 0 HG23 THR A 122 -14.384 8.833 -15.196 1.00 0.00 H new ATOM 1896 N LYS A 123 -14.257 8.206 -11.655 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.998 7.310 -10.785 1.00 0.00 C ATOM 1898 C LYS A 123 -15.665 6.222 -11.630 1.00 0.00 C ATOM 1899 O LYS A 123 -16.774 6.409 -12.127 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.978 8.098 -9.913 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.912 7.633 -8.457 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.948 6.540 -8.183 1.00 0.00 C ATOM 1903 CE LYS A 123 -17.455 6.614 -6.742 1.00 0.00 C ATOM 1904 NZ LYS A 123 -18.050 5.321 -6.335 1.00 0.00 N ATOM 0 H LYS A 123 -14.651 9.143 -11.737 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.323 6.808 -10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.747 9.162 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.992 7.972 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.913 7.256 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -16.087 8.479 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.785 6.646 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -16.506 5.561 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -16.633 6.869 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -18.197 7.407 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.043 5.467 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -18.005 4.652 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -17.521 4.934 -5.527 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.960 5.108 -11.766 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.470 3.990 -12.542 1.00 0.00 C ATOM 1920 C TYR A 124 -16.363 3.090 -11.685 1.00 0.00 C ATOM 1921 O TYR A 124 -16.392 3.221 -10.462 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.243 3.193 -12.989 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.684 3.621 -14.348 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.508 3.651 -15.454 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.356 3.978 -14.466 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -13.983 4.054 -16.733 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.830 4.380 -15.745 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.670 4.399 -16.815 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.173 4.779 -18.023 1.00 0.00 O ATOM 0 H TYR A 124 -14.040 4.956 -11.352 1.00 0.00 H new ATOM 0 HA TYR A 124 -16.067 4.346 -13.382 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.461 3.297 -12.237 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.505 2.136 -13.032 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.547 3.372 -15.361 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.712 3.956 -13.600 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.617 4.082 -17.607 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.792 4.660 -15.852 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.222 4.998 -17.931 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.089 2.173 -12.379 1.00 0.00 N ATOM 1940 CA PRO A 125 -17.980 1.252 -11.695 1.00 0.00 C ATOM 1941 C PRO A 125 -17.191 0.146 -10.991 1.00 0.00 C ATOM 1942 O PRO A 125 -16.428 -0.578 -11.628 1.00 0.00 O ATOM 1943 CB PRO A 125 -18.906 0.723 -12.779 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.208 1.008 -14.099 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.080 1.989 -13.827 1.00 0.00 C ATOM 0 HA PRO A 125 -18.551 1.732 -10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.084 -0.345 -12.654 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.878 1.215 -12.737 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.817 0.087 -14.531 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.911 1.425 -14.820 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.123 1.597 -14.170 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.242 2.933 -14.347 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.403 0.051 -9.687 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.721 -0.954 -8.889 1.00 0.00 C ATOM 1955 C LYS A 126 -15.363 -0.410 -8.444 1.00 0.00 C ATOM 1956 O LYS A 126 -14.960 -0.600 -7.297 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.633 -2.276 -9.655 1.00 0.00 C ATOM 1958 CG LYS A 126 -17.973 -2.622 -10.308 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.053 -4.113 -10.640 1.00 0.00 C ATOM 1960 CE LYS A 126 -18.889 -4.862 -9.601 1.00 0.00 C ATOM 1961 NZ LYS A 126 -18.050 -5.831 -8.861 1.00 0.00 N ATOM 0 H LYS A 126 -18.037 0.653 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.289 -1.173 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -15.859 -2.207 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.339 -3.075 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -18.789 -2.351 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.100 -2.036 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.491 -4.246 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.049 -4.535 -10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.335 -4.152 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.709 -5.384 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -18.633 -6.331 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -17.644 -6.519 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -17.282 -5.325 -8.375 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.694 0.256 -9.373 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.389 0.829 -9.090 1.00 0.00 C ATOM 1977 C LYS A 127 -13.433 1.544 -7.738 1.00 0.00 C ATOM 1978 O LYS A 127 -14.378 2.276 -7.449 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.936 1.725 -10.245 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.690 0.904 -11.512 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.517 -0.060 -11.322 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.136 -0.726 -12.646 1.00 0.00 C ATOM 1983 NZ LYS A 127 -11.492 -2.163 -12.624 1.00 0.00 N ATOM 0 H LYS A 127 -15.031 0.412 -10.323 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.637 0.044 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.694 2.483 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.023 2.251 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.589 0.343 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.484 1.572 -12.348 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.659 0.480 -10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -11.783 -0.823 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.649 -0.231 -13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.066 -0.613 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.227 -2.600 -13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -10.983 -2.635 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.517 -2.265 -12.477 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.398 1.306 -6.945 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.307 1.917 -5.630 1.00 0.00 C ATOM 1999 C PHE A 128 -11.742 3.336 -5.724 1.00 0.00 C ATOM 2000 O PHE A 128 -10.966 3.641 -6.628 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.353 1.055 -4.802 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.859 -0.366 -4.549 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.574 -1.357 -5.436 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -12.593 -0.639 -3.437 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.044 -2.676 -5.202 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -13.063 -1.959 -3.203 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.779 -2.949 -4.090 1.00 0.00 C ATOM 0 H PHE A 128 -11.616 0.698 -7.188 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.297 1.978 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.392 1.002 -5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.178 1.543 -3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -10.990 -1.140 -6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -12.818 0.148 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -11.818 -3.463 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -13.646 -2.176 -2.320 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.137 -3.952 -3.912 1.00 0.00 H new ATOM 2017 N TYR A 129 -12.154 4.166 -4.777 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.699 5.546 -4.741 1.00 0.00 C ATOM 2019 C TYR A 129 -11.053 5.875 -3.394 1.00 0.00 C ATOM 2020 O TYR A 129 -11.212 5.132 -2.426 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.951 6.408 -4.917 1.00 0.00 C ATOM 2022 CG TYR A 129 -14.091 6.051 -3.960 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -14.031 6.444 -2.639 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -15.179 5.337 -4.419 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -15.104 6.109 -1.739 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -16.252 5.002 -3.519 1.00 0.00 C ATOM 2027 CZ TYR A 129 -16.161 5.404 -2.223 1.00 0.00 C ATOM 2028 OH TYR A 129 -17.174 5.088 -1.373 1.00 0.00 O ATOM 0 H TYR A 129 -12.798 3.910 -4.029 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.956 5.725 -5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.683 7.454 -4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -13.307 6.309 -5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -13.179 7.003 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.226 5.029 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -15.070 6.411 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -17.110 4.444 -3.865 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.862 4.584 -1.857 1.00 0.00 H new ATOM 2038 N PRO A 130 -10.317 7.019 -3.373 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.646 7.456 -2.161 1.00 0.00 C ATOM 2040 C PRO A 130 -10.646 8.040 -1.161 1.00 0.00 C ATOM 2041 O PRO A 130 -11.362 8.989 -1.476 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.612 8.468 -2.627 1.00 0.00 C ATOM 2043 CG PRO A 130 -9.051 8.905 -4.015 1.00 0.00 C ATOM 2044 CD PRO A 130 -10.106 7.923 -4.500 1.00 0.00 C ATOM 0 HA PRO A 130 -9.168 6.636 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.564 9.318 -1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.617 8.025 -2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -9.455 9.917 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -8.201 8.920 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -11.028 8.436 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.767 7.382 -5.384 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.663 7.448 0.024 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.563 7.898 1.073 1.00 0.00 C ATOM 2054 C LEU A 131 -11.069 9.238 1.623 1.00 0.00 C ATOM 2055 O LEU A 131 -11.569 10.293 1.236 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.723 6.816 2.142 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.207 5.451 1.648 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.330 4.460 2.807 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.516 5.584 0.867 1.00 0.00 C ATOM 0 H LEU A 131 -10.068 6.660 0.281 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.562 8.067 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.763 6.680 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.424 7.177 2.894 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.460 5.052 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.676 3.498 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.358 4.334 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -13.045 4.841 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.838 4.600 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.282 6.014 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.361 6.233 0.005 1.00 0.00 H new ATOM 2071 N GLU A 132 -10.094 9.152 2.516 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.528 10.344 3.123 1.00 0.00 C ATOM 2073 C GLU A 132 -8.581 11.040 2.143 1.00 0.00 C ATOM 2074 O GLU A 132 -7.445 10.606 1.958 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.810 10.005 4.431 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.857 11.186 5.403 1.00 0.00 C ATOM 2077 CD GLU A 132 -9.550 10.793 6.710 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -10.748 10.446 6.634 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -8.866 10.850 7.754 1.00 0.00 O ATOM 0 H GLU A 132 -9.682 8.275 2.834 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.342 11.029 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.275 9.133 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.773 9.741 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.844 11.529 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.387 12.020 4.943 1.00 0.00 H new