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 112 THR OG1 : rot -83:sc= 1.12 USER MOD Set 1.2: A 114 ASN : amide:sc= -0.642 K(o=0.48,f=-3.4!) USER MOD Set 2.1: A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 103 HIS :FLIP no HD1:sc= -0.8 F(o=-2.8!,f=-0.8) USER MOD Set 3.1: A 61 LYS NZ :NH3+ -112:sc= 0.944 (180deg=0) USER MOD Set 3.2: A 63 GLN : amide:sc= 0.849 K(o=1.8,f=-16!) USER MOD Single : A 27 SER OG : rot -82:sc= 1.93 USER MOD Single : A 31 HIS : no HD1:sc= 0.135 K(o=0.14,f=-2.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -5.73! C(o=-5.7!,f=-10!) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0623) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 57 ASN : amide:sc= -1.32 K(o=-1.3,f=-8.5!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.196 USER MOD Single : A 59 TYR OH : rot -106:sc= 0.163 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 170:sc= -0.864 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -1.4! C(o=-3.2!,f=-1.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 138:sc= -0.0908 (180deg=-1.39!) USER MOD Single : A 105 MET CE :methyl -149:sc= -0.203 (180deg=-1.09) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 111 LYS NZ :NH3+ 155:sc= 0.474 (180deg=0.218) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.177 F(o=-0.79,f=-0.18) 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= -0.0162 X(o=-0.016,f=-0.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.886 7.917 7.379 1.00 0.00 N ATOM 288 CA ALA A 21 3.659 7.300 7.853 1.00 0.00 C ATOM 289 C ALA A 21 3.999 6.243 8.905 1.00 0.00 C ATOM 290 O ALA A 21 5.151 5.827 9.023 1.00 0.00 O ATOM 291 CB ALA A 21 2.890 6.716 6.667 1.00 0.00 C ATOM 0 HA ALA A 21 3.014 8.041 8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.969 6.253 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.647 7.512 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.504 5.966 6.169 1.00 0.00 H new ATOM 297 N ALA A 22 2.976 5.838 9.644 1.00 0.00 N ATOM 298 CA ALA A 22 3.152 4.837 10.682 1.00 0.00 C ATOM 299 C ALA A 22 2.832 3.454 10.111 1.00 0.00 C ATOM 300 O ALA A 22 1.832 3.282 9.416 1.00 0.00 O ATOM 301 CB ALA A 22 2.274 5.189 11.884 1.00 0.00 C ATOM 0 H ALA A 22 2.022 6.185 9.544 1.00 0.00 H new ATOM 0 HA ALA A 22 4.186 4.820 11.027 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.406 4.438 12.663 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.561 6.167 12.270 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.229 5.213 11.576 1.00 0.00 H new ATOM 307 N VAL A 23 3.700 2.504 10.425 1.00 0.00 N ATOM 308 CA VAL A 23 3.523 1.142 9.952 1.00 0.00 C ATOM 309 C VAL A 23 2.615 0.384 10.922 1.00 0.00 C ATOM 310 O VAL A 23 2.588 0.683 12.115 1.00 0.00 O ATOM 311 CB VAL A 23 4.885 0.473 9.761 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.731 -1.036 9.557 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.651 1.108 8.599 1.00 0.00 C ATOM 0 H VAL A 23 4.528 2.651 11.002 1.00 0.00 H new ATOM 0 HA VAL A 23 3.034 1.137 8.978 1.00 0.00 H new ATOM 0 HB VAL A 23 5.465 0.631 10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.714 -1.487 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.246 -1.474 10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.123 -1.223 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.616 0.613 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.076 0.997 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.808 2.167 8.802 1.00 0.00 H new ATOM 323 N ASP A 24 1.894 -0.583 10.375 1.00 0.00 N ATOM 324 CA ASP A 24 0.987 -1.386 11.177 1.00 0.00 C ATOM 325 C ASP A 24 1.774 -2.504 11.865 1.00 0.00 C ATOM 326 O ASP A 24 2.753 -3.007 11.315 1.00 0.00 O ATOM 327 CB ASP A 24 -0.092 -2.035 10.307 1.00 0.00 C ATOM 328 CG ASP A 24 0.367 -3.260 9.514 1.00 0.00 C ATOM 329 OD1 ASP A 24 1.512 -3.217 9.014 1.00 0.00 O ATOM 330 OD2 ASP A 24 -0.437 -4.213 9.427 1.00 0.00 O ATOM 0 H ASP A 24 1.919 -0.829 9.385 1.00 0.00 H new ATOM 0 HA ASP A 24 0.515 -0.730 11.908 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.926 -2.326 10.946 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.471 -1.289 9.608 1.00 0.00 H new ATOM 335 N PRO A 25 1.306 -2.868 13.088 1.00 0.00 N ATOM 336 CA PRO A 25 1.956 -3.916 13.857 1.00 0.00 C ATOM 337 C PRO A 25 1.632 -5.297 13.283 1.00 0.00 C ATOM 338 O PRO A 25 2.307 -6.277 13.595 1.00 0.00 O ATOM 339 CB PRO A 25 1.453 -3.730 15.279 1.00 0.00 C ATOM 340 CG PRO A 25 0.193 -2.887 15.169 1.00 0.00 C ATOM 341 CD PRO A 25 0.150 -2.293 13.770 1.00 0.00 C ATOM 0 HA PRO A 25 3.044 -3.851 13.822 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.240 -4.691 15.747 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.202 -3.234 15.896 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.692 -3.497 15.352 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.196 -2.096 15.919 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.779 -2.549 13.260 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.208 -1.205 13.800 1.00 0.00 H new ATOM 349 N ASP A 26 0.598 -5.331 12.455 1.00 0.00 N ATOM 350 CA ASP A 26 0.176 -6.576 11.835 1.00 0.00 C ATOM 351 C ASP A 26 1.248 -7.037 10.846 1.00 0.00 C ATOM 352 O ASP A 26 1.376 -8.230 10.575 1.00 0.00 O ATOM 353 CB ASP A 26 -1.132 -6.391 11.063 1.00 0.00 C ATOM 354 CG ASP A 26 -2.295 -7.260 11.545 1.00 0.00 C ATOM 355 OD1 ASP A 26 -2.286 -8.462 11.200 1.00 0.00 O ATOM 356 OD2 ASP A 26 -3.167 -6.704 12.246 1.00 0.00 O ATOM 0 H ASP A 26 0.040 -4.516 12.199 1.00 0.00 H new ATOM 0 HA ASP A 26 0.027 -7.313 12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.429 -5.344 11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.949 -6.607 10.010 1.00 0.00 H new ATOM 361 N SER A 27 1.992 -6.067 10.334 1.00 0.00 N ATOM 362 CA SER A 27 3.049 -6.358 9.380 1.00 0.00 C ATOM 363 C SER A 27 4.273 -6.915 10.110 1.00 0.00 C ATOM 364 O SER A 27 5.023 -7.713 9.551 1.00 0.00 O ATOM 365 CB SER A 27 3.429 -5.110 8.582 1.00 0.00 C ATOM 366 OG SER A 27 3.821 -4.033 9.428 1.00 0.00 O ATOM 0 H SER A 27 1.884 -5.079 10.562 1.00 0.00 H new ATOM 0 HA SER A 27 2.681 -7.106 8.678 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.245 -5.350 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.582 -4.800 7.969 1.00 0.00 H new ATOM 0 HG SER A 27 3.023 -3.570 9.759 1.00 0.00 H new ATOM 372 N GLY A 28 4.436 -6.472 11.348 1.00 0.00 N ATOM 373 CA GLY A 28 5.556 -6.917 12.160 1.00 0.00 C ATOM 374 C GLY A 28 6.757 -5.982 11.996 1.00 0.00 C ATOM 375 O GLY A 28 7.613 -5.906 12.876 1.00 0.00 O ATOM 0 H GLY A 28 3.812 -5.810 11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.259 -6.953 13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.838 -7.930 11.874 1.00 0.00 H new ATOM 379 N LEU A 29 6.781 -5.295 10.864 1.00 0.00 N ATOM 380 CA LEU A 29 7.862 -4.369 10.573 1.00 0.00 C ATOM 381 C LEU A 29 7.480 -2.973 11.070 1.00 0.00 C ATOM 382 O LEU A 29 8.026 -1.974 10.605 1.00 0.00 O ATOM 383 CB LEU A 29 8.222 -4.415 9.087 1.00 0.00 C ATOM 384 CG LEU A 29 8.199 -5.799 8.434 1.00 0.00 C ATOM 385 CD1 LEU A 29 8.421 -6.899 9.474 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.907 -6.010 7.643 1.00 0.00 C ATOM 0 H LEU A 29 6.069 -5.361 10.137 1.00 0.00 H new ATOM 0 HA LEU A 29 8.767 -4.661 11.106 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.531 -3.768 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.219 -3.992 8.962 1.00 0.00 H new ATOM 0 HG LEU A 29 9.024 -5.856 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.400 -7.872 8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.389 -6.755 9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.633 -6.854 10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.916 -7.001 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.052 -5.926 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.831 -5.254 6.862 1.00 0.00 H new ATOM 398 N GLU A 30 6.545 -2.949 12.009 1.00 0.00 N ATOM 399 CA GLU A 30 6.083 -1.693 12.574 1.00 0.00 C ATOM 400 C GLU A 30 7.229 -0.986 13.301 1.00 0.00 C ATOM 401 O GLU A 30 7.249 0.241 13.390 1.00 0.00 O ATOM 402 CB GLU A 30 4.895 -1.917 13.511 1.00 0.00 C ATOM 403 CG GLU A 30 5.212 -2.991 14.553 1.00 0.00 C ATOM 404 CD GLU A 30 4.535 -2.676 15.888 1.00 0.00 C ATOM 405 OE1 GLU A 30 4.225 -1.484 16.100 1.00 0.00 O ATOM 406 OE2 GLU A 30 4.344 -3.635 16.668 1.00 0.00 O ATOM 0 H GLU A 30 6.095 -3.780 12.393 1.00 0.00 H new ATOM 0 HA GLU A 30 5.745 -1.053 11.759 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.642 -0.983 14.012 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.021 -2.215 12.931 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.877 -3.963 14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.291 -3.058 14.695 1.00 0.00 H new ATOM 413 N HIS A 31 8.155 -1.789 13.803 1.00 0.00 N ATOM 414 CA HIS A 31 9.301 -1.256 14.519 1.00 0.00 C ATOM 415 C HIS A 31 10.589 -1.652 13.795 1.00 0.00 C ATOM 416 O HIS A 31 11.684 -1.468 14.323 1.00 0.00 O ATOM 417 CB HIS A 31 9.282 -1.702 15.983 1.00 0.00 C ATOM 418 CG HIS A 31 8.672 -3.066 16.201 1.00 0.00 C ATOM 419 ND1 HIS A 31 8.826 -4.108 15.304 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.908 -3.547 17.223 1.00 0.00 C ATOM 421 CE1 HIS A 31 8.178 -5.164 15.774 1.00 0.00 C ATOM 422 NE2 HIS A 31 7.610 -4.814 16.964 1.00 0.00 N ATOM 0 H HIS A 31 8.135 -2.806 13.728 1.00 0.00 H new ATOM 0 HA HIS A 31 9.253 -0.167 14.530 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.303 -1.707 16.364 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.727 -0.969 16.568 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.598 -2.991 18.095 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.111 -6.131 15.299 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.049 -5.425 17.557 1.00 0.00 H new ATOM 430 N SER A 32 10.415 -2.188 12.596 1.00 0.00 N ATOM 431 CA SER A 32 11.550 -2.611 11.793 1.00 0.00 C ATOM 432 C SER A 32 11.585 -1.826 10.481 1.00 0.00 C ATOM 433 O SER A 32 12.589 -1.191 10.160 1.00 0.00 O ATOM 434 CB SER A 32 11.495 -4.114 11.511 1.00 0.00 C ATOM 435 OG SER A 32 12.660 -4.788 11.979 1.00 0.00 O ATOM 0 H SER A 32 9.505 -2.339 12.161 1.00 0.00 H new ATOM 0 HA SER A 32 12.461 -2.407 12.355 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.613 -4.540 11.989 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.387 -4.278 10.439 1.00 0.00 H new ATOM 0 HG SER A 32 12.586 -5.745 11.782 1.00 0.00 H new ATOM 441 N ALA A 33 10.477 -1.894 9.758 1.00 0.00 N ATOM 442 CA ALA A 33 10.368 -1.197 8.488 1.00 0.00 C ATOM 443 C ALA A 33 9.415 -0.010 8.642 1.00 0.00 C ATOM 444 O ALA A 33 8.617 0.032 9.577 1.00 0.00 O ATOM 445 CB ALA A 33 9.911 -2.176 7.405 1.00 0.00 C ATOM 0 H ALA A 33 9.647 -2.421 10.028 1.00 0.00 H new ATOM 0 HA ALA A 33 11.337 -0.803 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.829 -1.653 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.638 -2.983 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.940 -2.591 7.676 1.00 0.00 H new ATOM 451 N HIS A 34 9.529 0.925 7.710 1.00 0.00 N ATOM 452 CA HIS A 34 8.686 2.108 7.730 1.00 0.00 C ATOM 453 C HIS A 34 7.937 2.228 6.402 1.00 0.00 C ATOM 454 O HIS A 34 8.348 1.647 5.398 1.00 0.00 O ATOM 455 CB HIS A 34 9.509 3.355 8.062 1.00 0.00 C ATOM 456 CG HIS A 34 10.543 3.704 7.018 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.904 3.618 7.252 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.401 4.139 5.733 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.543 3.988 6.152 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.609 4.311 5.211 1.00 0.00 N ATOM 0 H HIS A 34 10.193 0.887 6.936 1.00 0.00 H new ATOM 0 HA HIS A 34 7.940 2.014 8.520 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.833 4.201 8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.010 3.203 9.018 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.464 4.314 5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.615 4.027 6.023 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.807 4.632 4.263 1.00 0.00 H new ATOM 468 N VAL A 35 6.851 2.986 6.438 1.00 0.00 N ATOM 469 CA VAL A 35 6.041 3.190 5.249 1.00 0.00 C ATOM 470 C VAL A 35 6.936 3.660 4.101 1.00 0.00 C ATOM 471 O VAL A 35 7.525 4.738 4.169 1.00 0.00 O ATOM 472 CB VAL A 35 4.900 4.163 5.554 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.043 4.410 4.310 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.044 3.657 6.717 1.00 0.00 C ATOM 0 H VAL A 35 6.513 3.466 7.272 1.00 0.00 H new ATOM 0 HA VAL A 35 5.578 2.254 4.937 1.00 0.00 H new ATOM 0 HB VAL A 35 5.341 5.114 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.239 5.105 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.662 4.834 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.616 3.467 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.240 4.367 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.617 2.688 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.664 3.555 7.608 1.00 0.00 H new ATOM 484 N LEU A 36 7.011 2.828 3.072 1.00 0.00 N ATOM 485 CA LEU A 36 7.825 3.145 1.911 1.00 0.00 C ATOM 486 C LEU A 36 7.553 4.588 1.481 1.00 0.00 C ATOM 487 O LEU A 36 6.416 4.944 1.175 1.00 0.00 O ATOM 488 CB LEU A 36 7.596 2.119 0.800 1.00 0.00 C ATOM 489 CG LEU A 36 8.768 1.894 -0.158 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.274 1.707 -1.594 1.00 0.00 C ATOM 491 CD2 LEU A 36 9.791 3.026 -0.047 1.00 0.00 C ATOM 0 H LEU A 36 6.521 1.935 3.018 1.00 0.00 H new ATOM 0 HA LEU A 36 8.884 3.080 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.341 1.165 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.730 2.432 0.216 1.00 0.00 H new ATOM 0 HG LEU A 36 9.274 0.973 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.127 1.549 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.613 0.842 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.730 2.597 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.614 2.842 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.313 3.974 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.176 3.070 0.972 1.00 0.00 H new ATOM 503 N GLU A 37 8.615 5.380 1.473 1.00 0.00 N ATOM 504 CA GLU A 37 8.505 6.776 1.086 1.00 0.00 C ATOM 505 C GLU A 37 9.344 7.048 -0.165 1.00 0.00 C ATOM 506 O GLU A 37 10.482 6.591 -0.264 1.00 0.00 O ATOM 507 CB GLU A 37 8.918 7.698 2.235 1.00 0.00 C ATOM 508 CG GLU A 37 7.702 8.129 3.056 1.00 0.00 C ATOM 509 CD GLU A 37 8.057 8.250 4.540 1.00 0.00 C ATOM 510 OE1 GLU A 37 7.989 7.208 5.227 1.00 0.00 O ATOM 511 OE2 GLU A 37 8.389 9.382 4.953 1.00 0.00 O ATOM 0 H GLU A 37 9.556 5.081 1.728 1.00 0.00 H new ATOM 0 HA GLU A 37 7.461 6.987 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.633 7.185 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.423 8.578 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.331 9.086 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.898 7.405 2.929 1.00 0.00 H new ATOM 518 N LYS A 38 8.750 7.790 -1.087 1.00 0.00 N ATOM 519 CA LYS A 38 9.428 8.129 -2.327 1.00 0.00 C ATOM 520 C LYS A 38 8.897 9.467 -2.845 1.00 0.00 C ATOM 521 O LYS A 38 7.763 9.843 -2.554 1.00 0.00 O ATOM 522 CB LYS A 38 9.303 6.985 -3.335 1.00 0.00 C ATOM 523 CG LYS A 38 10.305 7.151 -4.480 1.00 0.00 C ATOM 524 CD LYS A 38 10.360 5.892 -5.347 1.00 0.00 C ATOM 525 CE LYS A 38 10.316 6.249 -6.834 1.00 0.00 C ATOM 526 NZ LYS A 38 11.492 7.066 -7.207 1.00 0.00 N ATOM 0 H LYS A 38 7.806 8.166 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 38 10.497 8.256 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.474 6.033 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.289 6.957 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.023 8.007 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.295 7.361 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.272 5.336 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.522 5.240 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.295 5.338 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.400 6.797 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.509 7.199 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.433 7.993 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.361 6.581 -6.906 1.00 0.00 H new ATOM 540 N GLY A 39 9.743 10.149 -3.604 1.00 0.00 N ATOM 541 CA GLY A 39 9.373 11.437 -4.165 1.00 0.00 C ATOM 542 C GLY A 39 8.621 12.286 -3.139 1.00 0.00 C ATOM 543 O GLY A 39 7.608 12.905 -3.463 1.00 0.00 O ATOM 0 H GLY A 39 10.683 9.834 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.268 11.965 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.749 11.288 -5.046 1.00 0.00 H new ATOM 547 N GLY A 40 9.145 12.289 -1.922 1.00 0.00 N ATOM 548 CA GLY A 40 8.536 13.053 -0.846 1.00 0.00 C ATOM 549 C GLY A 40 7.064 12.674 -0.670 1.00 0.00 C ATOM 550 O GLY A 40 6.226 13.534 -0.405 1.00 0.00 O ATOM 0 H GLY A 40 9.985 11.774 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.075 12.872 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.618 14.119 -1.060 1.00 0.00 H new ATOM 554 N LYS A 41 6.795 11.386 -0.826 1.00 0.00 N ATOM 555 CA LYS A 41 5.439 10.883 -0.687 1.00 0.00 C ATOM 556 C LYS A 41 5.446 9.656 0.226 1.00 0.00 C ATOM 557 O LYS A 41 6.507 9.187 0.634 1.00 0.00 O ATOM 558 CB LYS A 41 4.821 10.622 -2.063 1.00 0.00 C ATOM 559 CG LYS A 41 4.142 11.881 -2.606 1.00 0.00 C ATOM 560 CD LYS A 41 2.705 11.994 -2.092 1.00 0.00 C ATOM 561 CE LYS A 41 1.754 11.136 -2.929 1.00 0.00 C ATOM 562 NZ LYS A 41 0.404 11.741 -2.963 1.00 0.00 N ATOM 0 H LYS A 41 7.493 10.676 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 41 4.802 11.630 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.595 10.294 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.093 9.814 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.709 12.762 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.141 11.857 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.662 11.679 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.384 13.035 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.141 11.038 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.698 10.131 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.229 11.146 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.031 11.812 -1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.460 12.691 -3.383 1.00 0.00 H new ATOM 576 N VAL A 42 4.248 9.170 0.521 1.00 0.00 N ATOM 577 CA VAL A 42 4.103 8.007 1.379 1.00 0.00 C ATOM 578 C VAL A 42 3.230 6.966 0.676 1.00 0.00 C ATOM 579 O VAL A 42 2.213 7.308 0.074 1.00 0.00 O ATOM 580 CB VAL A 42 3.550 8.428 2.742 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.091 7.210 3.547 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.582 9.244 3.524 1.00 0.00 C ATOM 0 H VAL A 42 3.370 9.561 0.181 1.00 0.00 H new ATOM 0 HA VAL A 42 5.073 7.546 1.565 1.00 0.00 H new ATOM 0 HB VAL A 42 2.681 9.063 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.702 7.537 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.308 6.686 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.935 6.539 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.164 9.531 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.478 8.643 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.840 10.140 2.960 1.00 0.00 H new ATOM 592 N PHE A 43 3.659 5.716 0.775 1.00 0.00 N ATOM 593 CA PHE A 43 2.929 4.623 0.156 1.00 0.00 C ATOM 594 C PHE A 43 1.795 4.139 1.061 1.00 0.00 C ATOM 595 O PHE A 43 1.665 2.942 1.314 1.00 0.00 O ATOM 596 CB PHE A 43 3.925 3.480 -0.049 1.00 0.00 C ATOM 597 CG PHE A 43 4.833 3.656 -1.268 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.537 4.808 -1.431 1.00 0.00 C ATOM 599 CD2 PHE A 43 4.937 2.660 -2.188 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.379 4.972 -2.562 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.780 2.824 -3.319 1.00 0.00 C ATOM 602 CZ PHE A 43 6.483 3.976 -3.482 1.00 0.00 C ATOM 0 H PHE A 43 4.503 5.436 1.275 1.00 0.00 H new ATOM 0 HA PHE A 43 2.490 4.954 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.545 3.388 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.374 2.545 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.455 5.598 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.379 1.745 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.937 5.888 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.863 2.033 -4.050 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.124 4.100 -4.342 1.00 0.00 H new ATOM 612 N SER A 44 1.002 5.094 1.523 1.00 0.00 N ATOM 613 CA SER A 44 -0.118 4.781 2.395 1.00 0.00 C ATOM 614 C SER A 44 -1.415 5.335 1.801 1.00 0.00 C ATOM 615 O SER A 44 -1.724 6.514 1.968 1.00 0.00 O ATOM 616 CB SER A 44 0.104 5.342 3.801 1.00 0.00 C ATOM 617 OG SER A 44 -1.000 5.076 4.662 1.00 0.00 O ATOM 0 H SER A 44 1.113 6.085 1.310 1.00 0.00 H new ATOM 0 HA SER A 44 -0.196 3.697 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.009 4.907 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.266 6.418 3.741 1.00 0.00 H new ATOM 0 HG SER A 44 -0.819 5.449 5.550 1.00 0.00 H new ATOM 623 N ALA A 45 -2.138 4.458 1.120 1.00 0.00 N ATOM 624 CA ALA A 45 -3.394 4.845 0.501 1.00 0.00 C ATOM 625 C ALA A 45 -4.527 3.994 1.078 1.00 0.00 C ATOM 626 O ALA A 45 -4.384 2.781 1.224 1.00 0.00 O ATOM 627 CB ALA A 45 -3.278 4.708 -1.019 1.00 0.00 C ATOM 0 H ALA A 45 -1.878 3.481 0.983 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.623 5.888 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.220 4.998 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.480 5.355 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.051 3.673 -1.275 1.00 0.00 H new ATOM 633 N THR A 46 -5.626 4.663 1.392 1.00 0.00 N ATOM 634 CA THR A 46 -6.783 3.983 1.951 1.00 0.00 C ATOM 635 C THR A 46 -7.991 4.137 1.025 1.00 0.00 C ATOM 636 O THR A 46 -8.684 5.152 1.066 1.00 0.00 O ATOM 637 CB THR A 46 -7.021 4.534 3.358 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.853 4.157 4.081 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.159 3.813 4.084 1.00 0.00 C ATOM 0 H THR A 46 -5.740 5.669 1.270 1.00 0.00 H new ATOM 0 HA THR A 46 -6.610 2.910 2.032 1.00 0.00 H new ATOM 0 HB THR A 46 -7.246 5.599 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.923 4.477 5.005 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.286 4.242 5.078 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.083 3.929 3.517 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.919 2.754 4.175 1.00 0.00 H new ATOM 647 N LEU A 47 -8.206 3.114 0.211 1.00 0.00 N ATOM 648 CA LEU A 47 -9.318 3.122 -0.724 1.00 0.00 C ATOM 649 C LEU A 47 -10.585 2.649 -0.008 1.00 0.00 C ATOM 650 O LEU A 47 -10.508 2.046 1.062 1.00 0.00 O ATOM 651 CB LEU A 47 -8.976 2.306 -1.972 1.00 0.00 C ATOM 652 CG LEU A 47 -7.687 2.698 -2.697 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.396 1.740 -3.854 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.738 4.155 -3.158 1.00 0.00 C ATOM 0 H LEU A 47 -7.629 2.274 0.180 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.510 4.135 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.904 1.256 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.805 2.390 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.860 2.613 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.475 2.041 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.286 0.727 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.220 1.769 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.810 4.407 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.577 4.292 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.864 4.806 -2.293 1.00 0.00 H new ATOM 666 N GLY A 48 -11.720 2.939 -0.627 1.00 0.00 N ATOM 667 CA GLY A 48 -13.001 2.550 -0.061 1.00 0.00 C ATOM 668 C GLY A 48 -14.116 2.660 -1.103 1.00 0.00 C ATOM 669 O GLY A 48 -14.132 3.593 -1.904 1.00 0.00 O ATOM 0 H GLY A 48 -11.779 3.438 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.944 1.526 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.233 3.185 0.794 1.00 0.00 H new ATOM 673 N LEU A 49 -15.021 1.693 -1.059 1.00 0.00 N ATOM 674 CA LEU A 49 -16.137 1.670 -1.989 1.00 0.00 C ATOM 675 C LEU A 49 -17.390 1.175 -1.263 1.00 0.00 C ATOM 676 O LEU A 49 -17.304 0.325 -0.378 1.00 0.00 O ATOM 677 CB LEU A 49 -15.782 0.850 -3.231 1.00 0.00 C ATOM 678 CG LEU A 49 -16.827 0.839 -4.349 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.398 1.739 -5.509 1.00 0.00 C ATOM 680 CD2 LEU A 49 -17.122 -0.589 -4.810 1.00 0.00 C ATOM 0 H LEU A 49 -15.004 0.920 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.353 2.676 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.846 1.232 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.598 -0.179 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.756 1.247 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.158 1.713 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.280 2.762 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.450 1.384 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.868 -0.568 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.206 -1.047 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -17.503 -1.171 -3.971 1.00 0.00 H new ATOM 692 N VAL A 50 -18.525 1.729 -1.664 1.00 0.00 N ATOM 693 CA VAL A 50 -19.793 1.354 -1.063 1.00 0.00 C ATOM 694 C VAL A 50 -20.820 1.097 -2.168 1.00 0.00 C ATOM 695 O VAL A 50 -20.993 1.921 -3.064 1.00 0.00 O ATOM 696 CB VAL A 50 -20.240 2.430 -0.071 1.00 0.00 C ATOM 697 CG1 VAL A 50 -21.610 2.094 0.521 1.00 0.00 C ATOM 698 CG2 VAL A 50 -19.198 2.625 1.032 1.00 0.00 C ATOM 0 H VAL A 50 -18.593 2.434 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.688 0.430 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.332 3.370 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.904 2.874 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -22.347 2.029 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -21.557 1.138 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.540 3.395 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.060 1.688 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -18.251 2.931 0.588 1.00 0.00 H new ATOM 708 N ASP A 51 -21.474 -0.051 -2.068 1.00 0.00 N ATOM 709 CA ASP A 51 -22.479 -0.428 -3.047 1.00 0.00 C ATOM 710 C ASP A 51 -23.846 0.088 -2.594 1.00 0.00 C ATOM 711 O ASP A 51 -24.381 -0.366 -1.584 1.00 0.00 O ATOM 712 CB ASP A 51 -22.570 -1.949 -3.186 1.00 0.00 C ATOM 713 CG ASP A 51 -22.341 -2.484 -4.601 1.00 0.00 C ATOM 714 OD1 ASP A 51 -22.770 -1.789 -5.547 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.741 -3.576 -4.704 1.00 0.00 O ATOM 0 H ASP A 51 -21.327 -0.733 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.194 0.005 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.838 -2.404 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.554 -2.272 -2.847 1.00 0.00 H new ATOM 720 N ILE A 52 -24.372 1.031 -3.363 1.00 0.00 N ATOM 721 CA ILE A 52 -25.666 1.614 -3.053 1.00 0.00 C ATOM 722 C ILE A 52 -26.772 0.654 -3.496 1.00 0.00 C ATOM 723 O ILE A 52 -27.827 0.583 -2.867 1.00 0.00 O ATOM 724 CB ILE A 52 -25.784 3.012 -3.662 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.167 3.611 -3.398 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.445 2.990 -5.154 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.066 5.103 -3.076 1.00 0.00 C ATOM 0 H ILE A 52 -23.925 1.405 -4.200 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.774 1.751 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.055 3.659 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.803 3.466 -4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.642 3.088 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.537 3.996 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.424 2.635 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.133 2.323 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.063 5.504 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.450 5.243 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.613 5.627 -3.918 1.00 0.00 H new ATOM 739 N VAL A 53 -26.494 -0.060 -4.577 1.00 0.00 N ATOM 740 CA VAL A 53 -27.452 -1.012 -5.112 1.00 0.00 C ATOM 741 C VAL A 53 -27.446 -2.275 -4.249 1.00 0.00 C ATOM 742 O VAL A 53 -28.492 -2.707 -3.767 1.00 0.00 O ATOM 743 CB VAL A 53 -27.145 -1.293 -6.584 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.167 -0.002 -7.405 1.00 0.00 C ATOM 745 CG2 VAL A 53 -25.805 -2.016 -6.736 1.00 0.00 C ATOM 0 H VAL A 53 -25.619 0.002 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.460 -0.599 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 53 -27.926 -1.949 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -26.946 -0.230 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -28.153 0.457 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.418 0.688 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.611 -2.204 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -25.008 -1.396 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -25.840 -2.964 -6.199 1.00 0.00 H new ATOM 755 N LYS A 54 -26.256 -2.832 -4.079 1.00 0.00 N ATOM 756 CA LYS A 54 -26.100 -4.037 -3.282 1.00 0.00 C ATOM 757 C LYS A 54 -26.221 -3.681 -1.799 1.00 0.00 C ATOM 758 O LYS A 54 -26.291 -4.567 -0.948 1.00 0.00 O ATOM 759 CB LYS A 54 -24.794 -4.750 -3.639 1.00 0.00 C ATOM 760 CG LYS A 54 -24.959 -5.597 -4.902 1.00 0.00 C ATOM 761 CD LYS A 54 -25.770 -6.862 -4.611 1.00 0.00 C ATOM 762 CE LYS A 54 -25.310 -8.023 -5.496 1.00 0.00 C ATOM 763 NZ LYS A 54 -26.464 -8.862 -5.890 1.00 0.00 N ATOM 0 H LYS A 54 -25.390 -2.471 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.896 -4.748 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -24.004 -4.015 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.484 -5.385 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.457 -5.011 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.978 -5.871 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -25.661 -7.135 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -26.829 -6.667 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.814 -7.636 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.578 -8.628 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.135 -9.645 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.920 -9.247 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -27.148 -8.285 -6.419 1.00 0.00 H new ATOM 777 N GLY A 55 -26.243 -2.383 -1.534 1.00 0.00 N ATOM 778 CA GLY A 55 -26.355 -1.900 -0.169 1.00 0.00 C ATOM 779 C GLY A 55 -25.271 -2.512 0.720 1.00 0.00 C ATOM 780 O GLY A 55 -25.531 -2.865 1.869 1.00 0.00 O ATOM 0 H GLY A 55 -26.185 -1.651 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.270 -0.813 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.339 -2.148 0.229 1.00 0.00 H new ATOM 784 N THR A 56 -24.077 -2.618 0.155 1.00 0.00 N ATOM 785 CA THR A 56 -22.952 -3.181 0.882 1.00 0.00 C ATOM 786 C THR A 56 -21.811 -2.166 0.967 1.00 0.00 C ATOM 787 O THR A 56 -21.901 -1.077 0.404 1.00 0.00 O ATOM 788 CB THR A 56 -22.552 -4.489 0.195 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.523 -4.158 -1.191 1.00 0.00 O ATOM 790 CG2 THR A 56 -23.639 -5.561 0.299 1.00 0.00 C ATOM 0 H THR A 56 -23.864 -2.323 -0.798 1.00 0.00 H new ATOM 0 HA THR A 56 -23.221 -3.408 1.914 1.00 0.00 H new ATOM 0 HB THR A 56 -21.629 -4.864 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 56 -22.270 -4.949 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 56 -23.305 -6.468 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.835 -5.780 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.553 -5.200 -0.173 1.00 0.00 H new ATOM 798 N ASN A 57 -20.764 -2.560 1.677 1.00 0.00 N ATOM 799 CA ASN A 57 -19.606 -1.698 1.844 1.00 0.00 C ATOM 800 C ASN A 57 -18.347 -2.453 1.412 1.00 0.00 C ATOM 801 O ASN A 57 -18.335 -3.683 1.383 1.00 0.00 O ATOM 802 CB ASN A 57 -19.432 -1.287 3.307 1.00 0.00 C ATOM 803 CG ASN A 57 -20.657 -0.522 3.811 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.770 -0.705 3.346 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.392 0.343 4.786 1.00 0.00 N ATOM 0 H ASN A 57 -20.693 -3.464 2.143 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.758 -0.807 1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.274 -2.174 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.543 -0.665 3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.143 0.902 5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.437 0.447 5.130 1.00 0.00 H new ATOM 812 N SER A 58 -17.317 -1.685 1.088 1.00 0.00 N ATOM 813 CA SER A 58 -16.056 -2.266 0.659 1.00 0.00 C ATOM 814 C SER A 58 -14.905 -1.309 0.975 1.00 0.00 C ATOM 815 O SER A 58 -15.031 -0.099 0.795 1.00 0.00 O ATOM 816 CB SER A 58 -16.080 -2.592 -0.836 1.00 0.00 C ATOM 817 OG SER A 58 -17.301 -3.213 -1.227 1.00 0.00 O ATOM 0 H SER A 58 -17.330 -0.665 1.114 1.00 0.00 H new ATOM 0 HA SER A 58 -15.906 -3.198 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.939 -1.676 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.245 -3.250 -1.077 1.00 0.00 H new ATOM 0 HG SER A 58 -17.278 -3.404 -2.188 1.00 0.00 H new ATOM 823 N TYR A 59 -13.808 -1.888 1.442 1.00 0.00 N ATOM 824 CA TYR A 59 -12.635 -1.102 1.785 1.00 0.00 C ATOM 825 C TYR A 59 -11.350 -1.842 1.409 1.00 0.00 C ATOM 826 O TYR A 59 -11.278 -3.065 1.521 1.00 0.00 O ATOM 827 CB TYR A 59 -12.679 -0.920 3.303 1.00 0.00 C ATOM 828 CG TYR A 59 -12.045 -2.071 4.087 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.683 -2.084 4.312 1.00 0.00 C ATOM 830 CD2 TYR A 59 -12.834 -3.095 4.568 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.086 -3.168 5.049 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.237 -4.179 5.305 1.00 0.00 C ATOM 833 CZ TYR A 59 -10.892 -4.161 5.509 1.00 0.00 C ATOM 834 OH TYR A 59 -10.328 -5.184 6.206 1.00 0.00 O ATOM 0 H TYR A 59 -13.707 -2.892 1.591 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.639 -0.153 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.168 0.007 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.717 -0.810 3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.065 -1.282 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.900 -3.084 4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.022 -3.191 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.843 -4.987 5.687 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.298 -5.986 5.643 1.00 0.00 H new ATOM 844 N TYR A 60 -10.367 -1.069 0.970 1.00 0.00 N ATOM 845 CA TYR A 60 -9.088 -1.636 0.577 1.00 0.00 C ATOM 846 C TYR A 60 -7.931 -0.741 1.025 1.00 0.00 C ATOM 847 O TYR A 60 -7.895 0.444 0.697 1.00 0.00 O ATOM 848 CB TYR A 60 -9.107 -1.699 -0.951 1.00 0.00 C ATOM 849 CG TYR A 60 -7.875 -2.371 -1.562 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.705 -1.656 -1.715 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.934 -3.691 -1.958 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.545 -2.287 -2.290 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.775 -4.323 -2.533 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.637 -3.590 -2.670 1.00 0.00 C ATOM 855 OH TYR A 60 -4.542 -4.187 -3.213 1.00 0.00 O ATOM 0 H TYR A 60 -10.431 -0.055 0.878 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.945 -2.615 1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.999 -2.238 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.189 -0.686 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.659 -0.623 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.850 -4.251 -1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.623 -1.738 -2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.808 -5.355 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.754 -5.118 -3.436 1.00 0.00 H new ATOM 865 N LYS A 61 -7.012 -1.342 1.767 1.00 0.00 N ATOM 866 CA LYS A 61 -5.857 -0.614 2.262 1.00 0.00 C ATOM 867 C LYS A 61 -4.597 -1.128 1.562 1.00 0.00 C ATOM 868 O LYS A 61 -4.501 -2.311 1.238 1.00 0.00 O ATOM 869 CB LYS A 61 -5.787 -0.694 3.789 1.00 0.00 C ATOM 870 CG LYS A 61 -5.885 0.698 4.416 1.00 0.00 C ATOM 871 CD LYS A 61 -4.526 1.401 4.405 1.00 0.00 C ATOM 872 CE LYS A 61 -4.010 1.617 5.829 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.487 0.350 6.389 1.00 0.00 N ATOM 0 H LYS A 61 -7.044 -2.325 2.037 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.945 0.446 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.596 -1.322 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.852 -1.167 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.613 1.297 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.247 0.615 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.809 0.805 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.613 2.361 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.224 2.372 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.814 1.996 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.105 0.031 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.462 -0.375 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.526 0.503 6.756 1.00 0.00 H new ATOM 887 N LEU A 62 -3.662 -0.213 1.349 1.00 0.00 N ATOM 888 CA LEU A 62 -2.413 -0.559 0.693 1.00 0.00 C ATOM 889 C LEU A 62 -1.270 0.229 1.336 1.00 0.00 C ATOM 890 O LEU A 62 -1.234 1.456 1.256 1.00 0.00 O ATOM 891 CB LEU A 62 -2.527 -0.354 -0.819 1.00 0.00 C ATOM 892 CG LEU A 62 -1.505 -1.103 -1.676 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.953 -2.544 -1.929 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.227 -0.352 -2.980 1.00 0.00 C ATOM 0 H LEU A 62 -3.745 0.767 1.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.190 -1.617 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.526 -0.657 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.436 0.712 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.566 -1.150 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.209 -3.054 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.059 -3.064 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.911 -2.541 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.497 -0.906 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.153 -0.253 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.833 0.638 -2.753 1.00 0.00 H new ATOM 906 N GLN A 63 -0.362 -0.509 1.959 1.00 0.00 N ATOM 907 CA GLN A 63 0.779 0.106 2.615 1.00 0.00 C ATOM 908 C GLN A 63 2.064 -0.643 2.255 1.00 0.00 C ATOM 909 O GLN A 63 2.184 -1.839 2.516 1.00 0.00 O ATOM 910 CB GLN A 63 0.580 0.154 4.131 1.00 0.00 C ATOM 911 CG GLN A 63 -0.374 1.285 4.523 1.00 0.00 C ATOM 912 CD GLN A 63 -0.300 1.569 6.025 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.157 1.178 6.800 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.770 2.269 6.391 1.00 0.00 N ATOM 0 H GLN A 63 -0.394 -1.526 2.023 1.00 0.00 H new ATOM 0 HA GLN A 63 0.867 1.133 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.183 -0.799 4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.542 0.298 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.122 2.187 3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.394 1.016 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.450 2.565 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.911 2.509 7.372 1.00 0.00 H new ATOM 923 N LEU A 64 2.993 0.093 1.662 1.00 0.00 N ATOM 924 CA LEU A 64 4.265 -0.486 1.263 1.00 0.00 C ATOM 925 C LEU A 64 5.309 -0.207 2.346 1.00 0.00 C ATOM 926 O LEU A 64 5.605 0.949 2.645 1.00 0.00 O ATOM 927 CB LEU A 64 4.670 0.015 -0.125 1.00 0.00 C ATOM 928 CG LEU A 64 5.999 -0.514 -0.667 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.314 -1.897 -0.094 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.008 -0.511 -2.197 1.00 0.00 C ATOM 0 H LEU A 64 2.890 1.085 1.448 1.00 0.00 H new ATOM 0 HA LEU A 64 4.179 -1.569 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.882 -0.250 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.719 1.104 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 64 6.792 0.158 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.264 -2.250 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.380 -1.834 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.523 -2.594 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.964 -0.892 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.203 -1.146 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.863 0.507 -2.560 1.00 0.00 H new ATOM 942 N LEU A 65 5.838 -1.286 2.904 1.00 0.00 N ATOM 943 CA LEU A 65 6.843 -1.172 3.948 1.00 0.00 C ATOM 944 C LEU A 65 8.236 -1.268 3.321 1.00 0.00 C ATOM 945 O LEU A 65 8.424 -1.960 2.322 1.00 0.00 O ATOM 946 CB LEU A 65 6.591 -2.204 5.049 1.00 0.00 C ATOM 947 CG LEU A 65 5.149 -2.315 5.548 1.00 0.00 C ATOM 948 CD1 LEU A 65 5.020 -3.403 6.616 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.636 -0.961 6.044 1.00 0.00 C ATOM 0 H LEU A 65 5.590 -2.243 2.653 1.00 0.00 H new ATOM 0 HA LEU A 65 6.779 -0.199 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.903 -3.181 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.231 -1.963 5.898 1.00 0.00 H new ATOM 0 HG LEU A 65 4.519 -2.612 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.985 -3.461 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.319 -4.363 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.664 -3.161 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.609 -1.067 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.264 -0.612 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.669 -0.238 5.229 1.00 0.00 H new ATOM 961 N GLU A 66 9.175 -0.565 3.935 1.00 0.00 N ATOM 962 CA GLU A 66 10.545 -0.562 3.450 1.00 0.00 C ATOM 963 C GLU A 66 11.522 -0.707 4.619 1.00 0.00 C ATOM 964 O GLU A 66 11.294 -0.156 5.695 1.00 0.00 O ATOM 965 CB GLU A 66 10.839 0.705 2.643 1.00 0.00 C ATOM 966 CG GLU A 66 10.991 1.918 3.563 1.00 0.00 C ATOM 967 CD GLU A 66 11.689 3.071 2.839 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.877 2.889 2.496 1.00 0.00 O ATOM 969 OE2 GLU A 66 11.018 4.108 2.645 1.00 0.00 O ATOM 0 H GLU A 66 9.015 0.007 4.764 1.00 0.00 H new ATOM 0 HA GLU A 66 10.676 -1.415 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.752 0.567 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.033 0.883 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.009 2.242 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.564 1.639 4.447 1.00 0.00 H new ATOM 976 N ASP A 67 12.590 -1.450 4.367 1.00 0.00 N ATOM 977 CA ASP A 67 13.602 -1.674 5.385 1.00 0.00 C ATOM 978 C ASP A 67 14.514 -0.448 5.470 1.00 0.00 C ATOM 979 O ASP A 67 15.082 -0.023 4.466 1.00 0.00 O ATOM 980 CB ASP A 67 14.470 -2.886 5.041 1.00 0.00 C ATOM 981 CG ASP A 67 15.272 -3.460 6.210 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.847 -2.642 6.961 1.00 0.00 O ATOM 983 OD2 ASP A 67 15.293 -4.705 6.328 1.00 0.00 O ATOM 0 H ASP A 67 12.776 -1.904 3.473 1.00 0.00 H new ATOM 0 HA ASP A 67 13.094 -1.852 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.829 -3.671 4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.163 -2.604 4.248 1.00 0.00 H new ATOM 988 N ASP A 68 14.624 0.085 6.678 1.00 0.00 N ATOM 989 CA ASP A 68 15.456 1.253 6.907 1.00 0.00 C ATOM 990 C ASP A 68 16.911 0.812 7.078 1.00 0.00 C ATOM 991 O ASP A 68 17.830 1.514 6.660 1.00 0.00 O ATOM 992 CB ASP A 68 15.033 1.990 8.179 1.00 0.00 C ATOM 993 CG ASP A 68 15.897 3.200 8.544 1.00 0.00 C ATOM 994 OD1 ASP A 68 16.396 3.846 7.598 1.00 0.00 O ATOM 995 OD2 ASP A 68 16.038 3.450 9.760 1.00 0.00 O ATOM 0 H ASP A 68 14.150 -0.271 7.508 1.00 0.00 H new ATOM 0 HA ASP A 68 15.345 1.919 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.001 2.321 8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.050 1.286 9.011 1.00 0.00 H new ATOM 1051 N ARG A 72 14.874 -4.695 2.328 1.00 0.00 N ATOM 1052 CA ARG A 72 13.752 -5.612 2.221 1.00 0.00 C ATOM 1053 C ARG A 72 12.431 -4.846 2.308 1.00 0.00 C ATOM 1054 O ARG A 72 12.266 -3.981 3.167 1.00 0.00 O ATOM 1055 CB ARG A 72 13.795 -6.668 3.326 1.00 0.00 C ATOM 1056 CG ARG A 72 14.422 -7.969 2.819 1.00 0.00 C ATOM 1057 CD ARG A 72 14.783 -8.894 3.982 1.00 0.00 C ATOM 1058 NE ARG A 72 16.145 -9.440 3.790 1.00 0.00 N ATOM 1059 CZ ARG A 72 16.622 -10.514 4.435 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.850 -11.163 5.317 1.00 0.00 N ATOM 1061 NH2 ARG A 72 17.871 -10.939 4.197 1.00 0.00 N ATOM 0 HA ARG A 72 13.824 -6.112 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.368 -6.290 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.785 -6.863 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.726 -8.475 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.316 -7.743 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.731 -8.346 4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.062 -9.708 4.047 1.00 0.00 H new ATOM 0 HE ARG A 72 16.759 -8.970 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.900 -10.840 5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.213 -11.980 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.458 -10.445 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.234 -11.756 4.688 1.00 0.00 H new ATOM 1075 N TYR A 73 11.523 -5.191 1.406 1.00 0.00 N ATOM 1076 CA TYR A 73 10.221 -4.546 1.371 1.00 0.00 C ATOM 1077 C TYR A 73 9.095 -5.583 1.391 1.00 0.00 C ATOM 1078 O TYR A 73 9.170 -6.599 0.701 1.00 0.00 O ATOM 1079 CB TYR A 73 10.167 -3.778 0.049 1.00 0.00 C ATOM 1080 CG TYR A 73 11.229 -2.683 -0.077 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.538 -3.021 -0.353 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.877 -1.358 0.084 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.537 -1.990 -0.472 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.876 -0.328 -0.036 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.157 -0.695 -0.308 1.00 0.00 C ATOM 1086 OH TYR A 73 14.100 0.278 -0.421 1.00 0.00 O ATOM 0 H TYR A 73 11.663 -5.908 0.694 1.00 0.00 H new ATOM 0 HA TYR A 73 10.090 -3.897 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.286 -4.483 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.180 -3.327 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.813 -4.058 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.852 -1.094 0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.565 -2.240 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.614 0.712 0.087 1.00 0.00 H new ATOM 0 HH TYR A 73 13.684 1.154 -0.281 1.00 0.00 H new ATOM 1096 N TRP A 74 8.079 -5.290 2.188 1.00 0.00 N ATOM 1097 CA TRP A 74 6.939 -6.184 2.306 1.00 0.00 C ATOM 1098 C TRP A 74 5.737 -5.507 1.645 1.00 0.00 C ATOM 1099 O TRP A 74 5.745 -4.297 1.423 1.00 0.00 O ATOM 1100 CB TRP A 74 6.685 -6.558 3.768 1.00 0.00 C ATOM 1101 CG TRP A 74 7.716 -7.526 4.350 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.642 -8.862 4.427 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.987 -7.178 4.939 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.768 -9.398 5.019 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.612 -8.341 5.340 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.589 -5.921 5.126 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.870 -8.364 5.953 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.847 -5.961 5.740 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.489 -7.124 6.150 1.00 0.00 C ATOM 0 H TRP A 74 8.021 -4.447 2.759 1.00 0.00 H new ATOM 0 HA TRP A 74 7.133 -7.126 1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.676 -5.649 4.369 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.694 -7.005 3.851 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.806 -9.446 4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.948 -10.387 5.190 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.119 -4.998 4.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.338 -9.288 6.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.354 -5.022 5.907 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.461 -7.071 6.618 1.00 0.00 H new ATOM 1120 N ILE A 75 4.731 -6.317 1.348 1.00 0.00 N ATOM 1121 CA ILE A 75 3.524 -5.812 0.717 1.00 0.00 C ATOM 1122 C ILE A 75 2.310 -6.198 1.565 1.00 0.00 C ATOM 1123 O ILE A 75 1.801 -7.312 1.454 1.00 0.00 O ATOM 1124 CB ILE A 75 3.438 -6.289 -0.734 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.401 -5.505 -1.627 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.999 -6.226 -1.248 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.798 -4.159 -2.034 1.00 0.00 C ATOM 0 H ILE A 75 4.728 -7.320 1.533 1.00 0.00 H new ATOM 0 HA ILE A 75 3.546 -4.723 0.669 1.00 0.00 H new ATOM 0 HB ILE A 75 3.746 -7.334 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.341 -5.342 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.633 -6.088 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.966 -6.570 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.365 -6.864 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.639 -5.198 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.503 -3.622 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.871 -4.327 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.590 -3.569 -1.142 1.00 0.00 H new ATOM 1139 N PHE A 76 1.882 -5.256 2.392 1.00 0.00 N ATOM 1140 CA PHE A 76 0.738 -5.484 3.257 1.00 0.00 C ATOM 1141 C PHE A 76 -0.562 -5.059 2.571 1.00 0.00 C ATOM 1142 O PHE A 76 -0.834 -3.867 2.431 1.00 0.00 O ATOM 1143 CB PHE A 76 0.944 -4.626 4.507 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.202 -4.711 5.517 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.244 -5.734 6.412 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.178 -3.764 5.520 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.308 -5.813 7.350 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.241 -3.843 6.457 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.284 -4.866 7.352 1.00 0.00 C ATOM 0 H PHE A 76 2.307 -4.333 2.481 1.00 0.00 H new ATOM 0 HA PHE A 76 0.661 -6.544 3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.869 -4.931 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.072 -3.587 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.531 -6.486 6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.144 -2.952 4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.342 -6.625 8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.016 -3.091 6.459 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.093 -4.926 8.064 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.332 -6.057 2.162 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.596 -5.802 1.494 1.00 0.00 C ATOM 1161 C ARG A 77 -3.763 -6.247 2.378 1.00 0.00 C ATOM 1162 O ARG A 77 -3.874 -7.423 2.721 1.00 0.00 O ATOM 1163 CB ARG A 77 -2.671 -6.538 0.155 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.298 -6.587 -0.520 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.032 -5.307 -1.314 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.403 -4.291 -0.441 1.00 0.00 N ATOM 1167 CZ ARG A 77 0.592 -3.481 -0.827 1.00 0.00 C ATOM 1168 NH1 ARG A 77 1.077 -3.562 -2.073 1.00 0.00 N ATOM 1169 NH2 ARG A 77 1.102 -2.589 0.034 1.00 0.00 N ATOM 0 H ARG A 77 -1.104 -7.044 2.281 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.662 -4.730 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.039 -7.552 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.385 -6.038 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.522 -6.719 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.246 -7.449 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.381 -5.523 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.967 -4.921 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.749 -4.202 0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.689 -4.240 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.834 -2.945 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.733 -2.527 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.860 -1.972 -0.260 1.00 0.00 H new ATOM 1183 N SER A 78 -4.604 -5.283 2.723 1.00 0.00 N ATOM 1184 CA SER A 78 -5.758 -5.560 3.560 1.00 0.00 C ATOM 1185 C SER A 78 -7.046 -5.385 2.752 1.00 0.00 C ATOM 1186 O SER A 78 -7.173 -4.437 1.979 1.00 0.00 O ATOM 1187 CB SER A 78 -5.777 -4.652 4.791 1.00 0.00 C ATOM 1188 OG SER A 78 -6.642 -3.534 4.617 1.00 0.00 O ATOM 0 H SER A 78 -4.509 -4.308 2.438 1.00 0.00 H new ATOM 0 HA SER A 78 -5.690 -6.592 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.098 -5.226 5.660 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.766 -4.300 4.997 1.00 0.00 H new ATOM 0 HG SER A 78 -6.752 -3.069 5.473 1.00 0.00 H new ATOM 1194 N TRP A 79 -7.968 -6.314 2.959 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.240 -6.275 2.259 1.00 0.00 C ATOM 1196 C TRP A 79 -10.305 -6.876 3.180 1.00 0.00 C ATOM 1197 O TRP A 79 -9.977 -7.526 4.171 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.146 -6.987 0.909 1.00 0.00 C ATOM 1199 CG TRP A 79 -8.819 -8.478 1.013 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -9.645 -9.483 1.334 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -7.535 -9.095 0.781 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -8.990 -10.698 1.326 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -7.667 -10.455 0.979 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.304 -8.524 0.416 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -6.605 -11.356 0.835 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.253 -9.438 0.276 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.369 -10.809 0.472 1.00 0.00 C ATOM 0 H TRP A 79 -7.859 -7.098 3.602 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.520 -5.248 2.026 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.092 -6.869 0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.381 -6.499 0.305 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.692 -9.358 1.569 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.402 -11.607 1.536 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.179 -7.463 0.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.733 -12.416 0.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.284 -9.051 -0.004 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -4.509 -11.450 0.345 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.557 -6.638 2.818 1.00 0.00 N ATOM 1219 CA GLY A 80 -12.671 -7.148 3.599 1.00 0.00 C ATOM 1220 C GLY A 80 -13.931 -6.311 3.367 1.00 0.00 C ATOM 1221 O GLY A 80 -13.881 -5.083 3.409 1.00 0.00 O ATOM 0 H GLY A 80 -11.825 -6.099 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.865 -8.186 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.413 -7.137 4.658 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.031 -7.010 3.129 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.302 -6.346 2.891 1.00 0.00 C ATOM 1227 C ARG A 81 -16.877 -5.814 4.205 1.00 0.00 C ATOM 1228 O ARG A 81 -17.364 -6.585 5.031 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.311 -7.302 2.251 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.434 -6.530 1.556 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.641 -7.433 1.295 1.00 0.00 C ATOM 1232 NE ARG A 81 -20.113 -7.258 -0.096 1.00 0.00 N ATOM 1233 CZ ARG A 81 -20.808 -8.180 -0.776 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -21.115 -9.348 -0.196 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -21.195 -7.935 -2.035 1.00 0.00 N ATOM 0 H ARG A 81 -15.069 -8.029 3.096 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.120 -5.516 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.804 -7.942 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -17.733 -7.956 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.735 -5.684 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.070 -6.122 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.370 -8.475 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -20.443 -7.192 1.993 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.896 -6.380 -0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -20.820 -9.535 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -21.644 -10.051 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.961 -7.046 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.724 -8.637 -2.552 1.00 0.00 H new ATOM 1328 N SER A 88 -9.772 -10.036 5.600 1.00 0.00 N ATOM 1329 CA SER A 88 -8.483 -10.707 5.600 1.00 0.00 C ATOM 1330 C SER A 88 -7.389 -9.738 5.148 1.00 0.00 C ATOM 1331 O SER A 88 -7.680 -8.615 4.738 1.00 0.00 O ATOM 1332 CB SER A 88 -8.505 -11.942 4.697 1.00 0.00 C ATOM 1333 OG SER A 88 -8.875 -13.118 5.411 1.00 0.00 O ATOM 0 HA SER A 88 -8.269 -11.038 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.205 -11.780 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.520 -12.083 4.251 1.00 0.00 H new ATOM 0 HG SER A 88 -8.879 -13.884 4.800 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.153 -10.207 5.237 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.014 -9.397 4.842 1.00 0.00 C ATOM 1341 C ASN A 89 -3.997 -10.275 4.110 1.00 0.00 C ATOM 1342 O ASN A 89 -4.235 -11.464 3.902 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.321 -8.788 6.062 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.539 -9.852 6.836 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -2.319 -9.888 6.831 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -4.306 -10.712 7.498 1.00 0.00 N ATOM 0 H ASN A 89 -5.916 -11.139 5.577 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.378 -8.597 4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.645 -7.995 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.063 -8.330 6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.879 -11.460 8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.321 -10.624 7.459 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.886 -9.656 3.739 1.00 0.00 N ATOM 1354 CA LYS A 90 -1.833 -10.367 3.035 1.00 0.00 C ATOM 1355 C LYS A 90 -0.503 -9.640 3.247 1.00 0.00 C ATOM 1356 O LYS A 90 -0.434 -8.417 3.128 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.204 -10.554 1.563 1.00 0.00 C ATOM 1358 CG LYS A 90 -0.952 -10.725 0.699 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.191 -11.743 -0.417 1.00 0.00 C ATOM 1360 CE LYS A 90 -0.865 -11.142 -1.786 1.00 0.00 C ATOM 1361 NZ LYS A 90 -2.109 -10.798 -2.511 1.00 0.00 N ATOM 0 H LYS A 90 -2.692 -8.670 3.913 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.715 -11.372 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.847 -11.427 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.775 -9.693 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.671 -9.765 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.118 -11.051 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.574 -12.626 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.230 -12.072 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.251 -10.250 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.280 -11.852 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.870 -10.391 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.680 -11.656 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.652 -10.104 -1.959 1.00 0.00 H new ATOM 1375 N LEU A 91 0.520 -10.422 3.557 1.00 0.00 N ATOM 1376 CA LEU A 91 1.843 -9.868 3.786 1.00 0.00 C ATOM 1377 C LEU A 91 2.886 -10.741 3.084 1.00 0.00 C ATOM 1378 O LEU A 91 3.055 -11.910 3.427 1.00 0.00 O ATOM 1379 CB LEU A 91 2.098 -9.692 5.285 1.00 0.00 C ATOM 1380 CG LEU A 91 3.456 -9.100 5.669 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.420 -7.571 5.621 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.914 -9.620 7.033 1.00 0.00 C ATOM 0 H LEU A 91 0.459 -11.435 3.655 1.00 0.00 H new ATOM 0 HA LEU A 91 1.918 -8.870 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.316 -9.052 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.998 -10.665 5.767 1.00 0.00 H new ATOM 0 HG LEU A 91 4.192 -9.428 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.397 -7.175 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.169 -7.244 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.668 -7.203 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.881 -9.184 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.184 -9.341 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.004 -10.706 6.997 1.00 0.00 H new ATOM 1394 N GLU A 92 3.557 -10.139 2.113 1.00 0.00 N ATOM 1395 CA GLU A 92 4.578 -10.846 1.359 1.00 0.00 C ATOM 1396 C GLU A 92 5.893 -10.064 1.383 1.00 0.00 C ATOM 1397 O GLU A 92 5.902 -8.866 1.661 1.00 0.00 O ATOM 1398 CB GLU A 92 4.119 -11.104 -0.077 1.00 0.00 C ATOM 1399 CG GLU A 92 3.180 -12.311 -0.145 1.00 0.00 C ATOM 1400 CD GLU A 92 3.581 -13.254 -1.280 1.00 0.00 C ATOM 1401 OE1 GLU A 92 4.493 -14.075 -1.041 1.00 0.00 O ATOM 1402 OE2 GLU A 92 2.966 -13.134 -2.362 1.00 0.00 O ATOM 0 H GLU A 92 3.413 -9.169 1.831 1.00 0.00 H new ATOM 0 HA GLU A 92 4.746 -11.814 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.610 -10.221 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.986 -11.277 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.202 -12.848 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.155 -11.971 -0.295 1.00 0.00 H new ATOM 1409 N GLN A 93 6.972 -10.773 1.087 1.00 0.00 N ATOM 1410 CA GLN A 93 8.289 -10.160 1.070 1.00 0.00 C ATOM 1411 C GLN A 93 8.758 -9.948 -0.371 1.00 0.00 C ATOM 1412 O GLN A 93 8.918 -10.908 -1.123 1.00 0.00 O ATOM 1413 CB GLN A 93 9.296 -11.003 1.856 1.00 0.00 C ATOM 1414 CG GLN A 93 10.602 -10.236 2.072 1.00 0.00 C ATOM 1415 CD GLN A 93 11.413 -10.847 3.217 1.00 0.00 C ATOM 1416 OE1 GLN A 93 12.234 -11.822 2.839 1.00 0.00 O flip ATOM 1417 NE2 GLN A 93 11.300 -10.457 4.368 1.00 0.00 N flip ATOM 0 H GLN A 93 6.961 -11.767 0.857 1.00 0.00 H new ATOM 0 HA GLN A 93 8.221 -9.187 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.869 -11.281 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.499 -11.929 1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.192 -10.250 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.382 -9.192 2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.650 -9.703 4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.856 -10.885 5.108 1.00 0.00 H new ATOM 1426 N MET A 94 8.965 -8.685 -0.712 1.00 0.00 N ATOM 1427 CA MET A 94 9.412 -8.334 -2.049 1.00 0.00 C ATOM 1428 C MET A 94 10.927 -8.498 -2.181 1.00 0.00 C ATOM 1429 O MET A 94 11.665 -8.278 -1.222 1.00 0.00 O ATOM 1430 CB MET A 94 9.026 -6.886 -2.354 1.00 0.00 C ATOM 1431 CG MET A 94 7.548 -6.781 -2.736 1.00 0.00 C ATOM 1432 SD MET A 94 7.343 -7.116 -4.478 1.00 0.00 S ATOM 1433 CE MET A 94 6.070 -8.365 -4.405 1.00 0.00 C ATOM 0 H MET A 94 8.831 -7.892 -0.085 1.00 0.00 H new ATOM 0 HA MET A 94 8.930 -9.004 -2.760 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.225 -6.262 -1.483 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.643 -6.505 -3.167 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.961 -7.488 -2.150 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.173 -5.785 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.820 -8.689 -5.415 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.430 -9.218 -3.829 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.182 -7.952 -3.926 1.00 0.00 H new ATOM 1443 N PRO A 95 11.358 -8.892 -3.409 1.00 0.00 N ATOM 1444 CA PRO A 95 12.773 -9.087 -3.679 1.00 0.00 C ATOM 1445 C PRO A 95 13.495 -7.746 -3.818 1.00 0.00 C ATOM 1446 O PRO A 95 14.527 -7.523 -3.187 1.00 0.00 O ATOM 1447 CB PRO A 95 12.820 -9.922 -4.949 1.00 0.00 C ATOM 1448 CG PRO A 95 11.453 -9.771 -5.597 1.00 0.00 C ATOM 1449 CD PRO A 95 10.514 -9.162 -4.569 1.00 0.00 C ATOM 0 HA PRO A 95 13.290 -9.595 -2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.609 -9.575 -5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 95 13.032 -10.967 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.517 -9.134 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.079 -10.739 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.054 -8.248 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.704 -9.847 -4.318 1.00 0.00 H new ATOM 1457 N SER A 96 12.923 -6.886 -4.649 1.00 0.00 N ATOM 1458 CA SER A 96 13.499 -5.572 -4.880 1.00 0.00 C ATOM 1459 C SER A 96 12.526 -4.486 -4.419 1.00 0.00 C ATOM 1460 O SER A 96 11.342 -4.753 -4.217 1.00 0.00 O ATOM 1461 CB SER A 96 13.853 -5.377 -6.356 1.00 0.00 C ATOM 1462 OG SER A 96 15.112 -4.732 -6.522 1.00 0.00 O ATOM 0 H SER A 96 12.067 -7.074 -5.170 1.00 0.00 H new ATOM 0 HA SER A 96 14.419 -5.495 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.873 -6.346 -6.855 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.076 -4.785 -6.840 1.00 0.00 H new ATOM 0 HG SER A 96 15.303 -4.627 -7.478 1.00 0.00 H new ATOM 1468 N LYS A 97 13.060 -3.283 -4.266 1.00 0.00 N ATOM 1469 CA LYS A 97 12.253 -2.155 -3.832 1.00 0.00 C ATOM 1470 C LYS A 97 11.185 -1.863 -4.888 1.00 0.00 C ATOM 1471 O LYS A 97 10.024 -1.629 -4.553 1.00 0.00 O ATOM 1472 CB LYS A 97 13.143 -0.953 -3.508 1.00 0.00 C ATOM 1473 CG LYS A 97 12.301 0.297 -3.245 1.00 0.00 C ATOM 1474 CD LYS A 97 12.830 1.492 -4.040 1.00 0.00 C ATOM 1475 CE LYS A 97 12.995 2.719 -3.141 1.00 0.00 C ATOM 1476 NZ LYS A 97 13.157 3.942 -3.959 1.00 0.00 N ATOM 0 H LYS A 97 14.042 -3.065 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 97 11.730 -2.393 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.755 -1.174 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.826 -0.768 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.263 0.105 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.313 0.530 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.788 1.237 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.144 1.723 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.126 2.821 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.863 2.589 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.599 4.715 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.161 4.214 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.825 3.758 -4.927 1.00 0.00 H new ATOM 1490 N GLU A 98 11.615 -1.885 -6.141 1.00 0.00 N ATOM 1491 CA GLU A 98 10.710 -1.624 -7.247 1.00 0.00 C ATOM 1492 C GLU A 98 9.595 -2.672 -7.278 1.00 0.00 C ATOM 1493 O GLU A 98 8.414 -2.327 -7.269 1.00 0.00 O ATOM 1494 CB GLU A 98 11.465 -1.589 -8.577 1.00 0.00 C ATOM 1495 CG GLU A 98 12.438 -0.409 -8.623 1.00 0.00 C ATOM 1496 CD GLU A 98 12.273 0.389 -9.918 1.00 0.00 C ATOM 1497 OE1 GLU A 98 12.438 -0.231 -10.991 1.00 0.00 O ATOM 1498 OE2 GLU A 98 11.984 1.600 -9.806 1.00 0.00 O ATOM 0 H GLU A 98 12.578 -2.080 -6.415 1.00 0.00 H new ATOM 0 HA GLU A 98 10.258 -0.644 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.012 -2.522 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.755 -1.512 -9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.266 0.242 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.462 -0.774 -8.545 1.00 0.00 H new ATOM 1505 N ASP A 99 10.009 -3.930 -7.314 1.00 0.00 N ATOM 1506 CA ASP A 99 9.060 -5.030 -7.346 1.00 0.00 C ATOM 1507 C ASP A 99 7.967 -4.786 -6.303 1.00 0.00 C ATOM 1508 O ASP A 99 6.833 -5.230 -6.472 1.00 0.00 O ATOM 1509 CB ASP A 99 9.744 -6.357 -7.013 1.00 0.00 C ATOM 1510 CG ASP A 99 10.790 -6.819 -8.029 1.00 0.00 C ATOM 1511 OD1 ASP A 99 11.568 -5.949 -8.478 1.00 0.00 O ATOM 1512 OD2 ASP A 99 10.788 -8.031 -8.335 1.00 0.00 O ATOM 0 H ASP A 99 10.989 -4.212 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 99 8.639 -5.083 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.222 -6.267 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.980 -7.130 -6.924 1.00 0.00 H new ATOM 1517 N ALA A 100 8.348 -4.079 -5.249 1.00 0.00 N ATOM 1518 CA ALA A 100 7.414 -3.771 -4.179 1.00 0.00 C ATOM 1519 C ALA A 100 6.576 -2.554 -4.574 1.00 0.00 C ATOM 1520 O ALA A 100 5.377 -2.507 -4.303 1.00 0.00 O ATOM 1521 CB ALA A 100 8.186 -3.549 -2.876 1.00 0.00 C ATOM 0 H ALA A 100 9.290 -3.711 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 100 6.730 -4.603 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.486 -3.318 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.742 -4.452 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.881 -2.719 -3.002 1.00 0.00 H new ATOM 1527 N ILE A 101 7.239 -1.599 -5.209 1.00 0.00 N ATOM 1528 CA ILE A 101 6.570 -0.385 -5.645 1.00 0.00 C ATOM 1529 C ILE A 101 5.627 -0.716 -6.803 1.00 0.00 C ATOM 1530 O ILE A 101 4.510 -0.203 -6.865 1.00 0.00 O ATOM 1531 CB ILE A 101 7.594 0.702 -5.977 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.257 1.237 -4.706 1.00 0.00 C ATOM 1533 CG2 ILE A 101 6.959 1.819 -6.806 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.765 1.406 -4.903 1.00 0.00 C ATOM 0 H ILE A 101 8.233 -1.641 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 101 5.957 0.022 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 101 8.380 0.256 -6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.813 2.195 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.069 0.553 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.709 2.578 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.574 1.406 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.141 2.270 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.211 1.787 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.210 0.442 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.949 2.109 -5.715 1.00 0.00 H new ATOM 1546 N GLU A 102 6.111 -1.570 -7.693 1.00 0.00 N ATOM 1547 CA GLU A 102 5.325 -1.975 -8.846 1.00 0.00 C ATOM 1548 C GLU A 102 4.089 -2.758 -8.398 1.00 0.00 C ATOM 1549 O GLU A 102 2.993 -2.543 -8.914 1.00 0.00 O ATOM 1550 CB GLU A 102 6.168 -2.795 -9.824 1.00 0.00 C ATOM 1551 CG GLU A 102 7.517 -2.120 -10.084 1.00 0.00 C ATOM 1552 CD GLU A 102 7.931 -2.269 -11.549 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.535 -1.389 -12.343 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.635 -3.260 -11.842 1.00 0.00 O ATOM 0 H GLU A 102 7.038 -1.993 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 102 4.993 -1.077 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.329 -3.795 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.629 -2.913 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.455 -1.063 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.278 -2.561 -9.441 1.00 0.00 H new ATOM 1561 N HIS A 103 4.307 -3.649 -7.442 1.00 0.00 N ATOM 1562 CA HIS A 103 3.225 -4.465 -6.919 1.00 0.00 C ATOM 1563 C HIS A 103 2.216 -3.574 -6.191 1.00 0.00 C ATOM 1564 O HIS A 103 1.023 -3.873 -6.165 1.00 0.00 O ATOM 1565 CB HIS A 103 3.770 -5.588 -6.034 1.00 0.00 C ATOM 1566 CG HIS A 103 2.828 -6.757 -5.876 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.209 -7.260 -4.769 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.432 -7.550 -6.939 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.474 -8.302 -5.136 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.611 -8.484 -6.481 1.00 0.00 N flip ATOM 0 H HIS A 103 5.217 -3.824 -7.016 1.00 0.00 H new ATOM 0 HA HIS A 103 2.701 -4.951 -7.742 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.709 -5.946 -6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.997 -5.182 -5.048 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.740 -7.428 -7.967 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.867 -8.907 -4.478 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.161 -9.211 -7.037 1.00 0.00 H new ATOM 1578 N PHE A 104 2.732 -2.497 -5.618 1.00 0.00 N ATOM 1579 CA PHE A 104 1.891 -1.560 -4.892 1.00 0.00 C ATOM 1580 C PHE A 104 1.301 -0.508 -5.834 1.00 0.00 C ATOM 1581 O PHE A 104 0.211 0.006 -5.592 1.00 0.00 O ATOM 1582 CB PHE A 104 2.783 -0.863 -3.863 1.00 0.00 C ATOM 1583 CG PHE A 104 2.183 0.422 -3.288 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.206 1.569 -4.017 1.00 0.00 C ATOM 1585 CD2 PHE A 104 1.626 0.416 -2.047 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.649 2.761 -3.483 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.069 1.608 -1.513 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.092 2.755 -2.242 1.00 0.00 C ATOM 0 H PHE A 104 3.722 -2.252 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 104 1.064 -2.091 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.986 -1.555 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.741 -0.629 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.648 1.574 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.607 -0.495 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.668 3.672 -4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.627 1.603 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.668 3.662 -1.836 1.00 0.00 H new ATOM 1598 N MET A 105 2.049 -0.220 -6.889 1.00 0.00 N ATOM 1599 CA MET A 105 1.614 0.761 -7.869 1.00 0.00 C ATOM 1600 C MET A 105 0.555 0.171 -8.803 1.00 0.00 C ATOM 1601 O MET A 105 -0.353 0.876 -9.242 1.00 0.00 O ATOM 1602 CB MET A 105 2.816 1.229 -8.692 1.00 0.00 C ATOM 1603 CG MET A 105 3.473 2.454 -8.054 1.00 0.00 C ATOM 1604 SD MET A 105 3.536 3.796 -9.230 1.00 0.00 S ATOM 1605 CE MET A 105 4.454 3.012 -10.545 1.00 0.00 C ATOM 0 H MET A 105 2.953 -0.649 -7.087 1.00 0.00 H new ATOM 0 HA MET A 105 1.174 1.606 -7.339 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.544 0.421 -8.771 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.496 1.470 -9.706 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.911 2.759 -7.171 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.480 2.204 -7.721 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.046 3.760 -11.072 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.116 2.255 -10.125 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.761 2.541 -11.242 1.00 0.00 H new ATOM 1615 N LYS A 106 0.706 -1.116 -9.078 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.226 -1.809 -9.952 1.00 0.00 C ATOM 1617 C LYS A 106 -1.478 -2.187 -9.157 1.00 0.00 C ATOM 1618 O LYS A 106 -2.598 -1.932 -9.597 1.00 0.00 O ATOM 1619 CB LYS A 106 0.456 -2.999 -10.628 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.535 -4.141 -10.860 1.00 0.00 C ATOM 1621 CD LYS A 106 0.170 -5.372 -11.434 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.647 -6.640 -11.179 1.00 0.00 C ATOM 1623 NZ LYS A 106 -0.217 -7.289 -9.920 1.00 0.00 N ATOM 0 H LYS A 106 1.460 -1.697 -8.711 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.547 -1.154 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.883 -2.685 -11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.281 -3.350 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -1.021 -4.402 -9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.318 -3.814 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.322 -5.242 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.157 -5.474 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.707 -6.392 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.525 -7.332 -12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.781 -8.148 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.789 -7.543 -9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.356 -6.632 -9.126 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.245 -2.791 -8.001 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.340 -3.208 -7.141 1.00 0.00 C ATOM 1639 C LEU A 107 -3.306 -2.037 -6.949 1.00 0.00 C ATOM 1640 O LEU A 107 -4.503 -2.167 -7.203 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.802 -3.781 -5.828 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.397 -5.257 -5.858 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.855 -5.704 -4.498 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.558 -6.135 -6.329 1.00 0.00 C ATOM 0 H LEU A 107 -0.315 -3.002 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.904 -4.015 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.936 -3.193 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.562 -3.648 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.590 -5.375 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.574 -6.756 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.020 -5.107 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.624 -5.568 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.243 -7.179 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.402 -6.018 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.857 -5.835 -7.333 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.751 -0.920 -6.503 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.549 0.273 -6.275 1.00 0.00 C ATOM 1658 C TYR A 108 -4.126 0.806 -7.587 1.00 0.00 C ATOM 1659 O TYR A 108 -4.964 1.707 -7.581 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.592 1.315 -5.692 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.271 2.624 -5.284 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.919 2.716 -4.069 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.236 3.713 -6.131 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.559 3.948 -3.685 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -3.875 4.945 -5.747 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.505 5.001 -4.543 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.108 6.165 -4.181 1.00 0.00 O ATOM 0 H TYR A 108 -1.758 -0.816 -6.293 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.385 0.054 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.094 0.889 -4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.817 1.533 -6.427 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.946 1.864 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.729 3.641 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.070 4.033 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.854 5.805 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.988 6.830 -4.891 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.655 0.228 -8.682 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.114 0.633 -10.000 1.00 0.00 C ATOM 1679 C GLU A 109 -5.198 -0.322 -10.502 1.00 0.00 C ATOM 1680 O GLU A 109 -5.976 0.027 -11.388 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.948 0.707 -10.988 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.455 0.818 -12.427 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.294 1.020 -13.403 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.385 0.162 -13.390 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.342 2.028 -14.141 1.00 0.00 O ATOM 0 H GLU A 109 -2.960 -0.518 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.545 1.631 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.321 1.567 -10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.323 -0.180 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.006 -0.084 -12.693 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.152 1.652 -12.508 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.215 -1.509 -9.913 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.191 -2.518 -10.290 1.00 0.00 C ATOM 1694 C GLU A 110 -7.540 -2.222 -9.632 1.00 0.00 C ATOM 1695 O GLU A 110 -8.586 -2.363 -10.264 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.699 -3.920 -9.925 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.252 -4.359 -8.568 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.797 -5.779 -8.223 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.681 -6.137 -8.656 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.576 -6.473 -7.535 1.00 0.00 O ATOM 0 H GLU A 110 -4.569 -1.795 -9.177 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.321 -2.485 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.007 -4.629 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.609 -3.932 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.917 -3.668 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.341 -4.316 -8.584 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.473 -1.816 -8.373 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.676 -1.499 -7.623 1.00 0.00 C ATOM 1709 C LYS A 111 -9.321 -0.242 -8.210 1.00 0.00 C ATOM 1710 O LYS A 111 -10.417 -0.304 -8.765 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.364 -1.390 -6.129 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.834 -2.716 -5.581 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.966 -3.734 -5.420 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.412 -5.122 -5.092 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.253 -5.788 -4.073 1.00 0.00 N ATOM 0 H LYS A 111 -6.603 -1.699 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.405 -2.304 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.627 -0.604 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.264 -1.102 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.075 -3.114 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.351 -2.549 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.640 -3.411 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.552 -3.780 -6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.377 -5.729 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.389 -5.035 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.152 -6.819 -4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.951 -5.489 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.249 -5.525 -4.218 1.00 0.00 H new ATOM 1729 N THR A 112 -8.613 0.869 -8.069 1.00 0.00 N ATOM 1730 CA THR A 112 -9.103 2.138 -8.578 1.00 0.00 C ATOM 1731 C THR A 112 -9.209 2.096 -10.104 1.00 0.00 C ATOM 1732 O THR A 112 -10.142 2.652 -10.680 1.00 0.00 O ATOM 1733 CB THR A 112 -8.177 3.243 -8.064 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.961 3.036 -8.777 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.787 3.045 -6.598 1.00 0.00 C ATOM 0 H THR A 112 -7.704 0.916 -7.609 1.00 0.00 H new ATOM 0 HA THR A 112 -10.111 2.345 -8.219 1.00 0.00 H new ATOM 0 HB THR A 112 -8.666 4.210 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.429 2.349 -8.324 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.130 3.856 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.685 3.045 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.268 2.093 -6.485 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.239 1.430 -10.714 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.212 1.307 -12.161 1.00 0.00 C ATOM 1745 C GLY A 113 -7.297 2.364 -12.784 1.00 0.00 C ATOM 1746 O GLY A 113 -6.870 2.223 -13.929 1.00 0.00 O ATOM 0 H GLY A 113 -7.466 0.970 -10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.865 0.312 -12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.221 1.415 -12.558 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.024 3.398 -12.003 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.168 4.478 -12.463 1.00 0.00 C ATOM 1752 C ASN A 114 -4.748 4.257 -11.938 1.00 0.00 C ATOM 1753 O ASN A 114 -4.545 3.506 -10.985 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.659 5.830 -11.943 1.00 0.00 C ATOM 1755 CG ASN A 114 -8.094 5.729 -11.421 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -8.374 5.088 -10.422 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.983 6.396 -12.151 1.00 0.00 N ATOM 0 H ASN A 114 -7.381 3.511 -11.054 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.188 4.482 -13.553 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -6.002 6.177 -11.146 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.610 6.570 -12.742 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.968 6.391 -11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.680 6.913 -12.977 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.802 4.925 -12.581 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.407 4.811 -12.191 1.00 0.00 C ATOM 1766 C ALA A 115 -2.182 5.583 -10.889 1.00 0.00 C ATOM 1767 O ALA A 115 -2.853 6.581 -10.631 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.516 5.312 -13.328 1.00 0.00 C ATOM 0 H ALA A 115 -3.974 5.548 -13.370 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.144 3.770 -12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.470 5.226 -13.035 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.693 4.712 -14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.749 6.355 -13.540 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.234 5.092 -10.104 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.912 5.723 -8.836 1.00 0.00 C ATOM 1776 C TRP A 116 -0.667 7.211 -9.097 1.00 0.00 C ATOM 1777 O TRP A 116 -1.045 8.057 -8.288 1.00 0.00 O ATOM 1778 CB TRP A 116 0.276 5.031 -8.164 1.00 0.00 C ATOM 1779 CG TRP A 116 0.935 5.858 -7.059 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.860 6.819 -7.187 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.679 5.757 -5.642 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.218 7.343 -5.962 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.477 6.677 -4.992 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.197 4.917 -4.932 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.479 6.844 -3.602 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.184 5.097 -3.544 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.614 6.018 -2.875 1.00 0.00 C ATOM 0 H TRP A 116 -0.679 4.265 -10.322 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.741 5.624 -8.135 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.060 4.083 -7.743 1.00 0.00 H new ATOM 0 HB3 TRP A 116 1.023 4.796 -8.922 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.273 7.143 -8.131 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.901 8.083 -5.798 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.830 4.190 -5.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.114 7.571 -3.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.840 4.477 -2.951 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.567 6.096 -1.799 1.00 0.00 H new ATOM 1798 N HIS A 117 -0.037 7.484 -10.230 1.00 0.00 N ATOM 1799 CA HIS A 117 0.263 8.855 -10.608 1.00 0.00 C ATOM 1800 C HIS A 117 0.222 8.988 -12.131 1.00 0.00 C ATOM 1801 O HIS A 117 1.226 8.761 -12.805 1.00 0.00 O ATOM 1802 CB HIS A 117 1.597 9.304 -10.008 1.00 0.00 C ATOM 1803 CG HIS A 117 1.458 10.166 -8.777 1.00 0.00 C ATOM 1804 ND1 HIS A 117 0.348 10.643 -8.143 1.00 0.00 N flip ATOM 1805 CD2 HIS A 117 2.547 10.633 -8.061 1.00 0.00 C flip ATOM 1806 CE1 HIS A 117 0.738 11.359 -7.096 1.00 0.00 C flip ATOM 1807 NE2 HIS A 117 2.101 11.355 -7.044 1.00 0.00 N flip ATOM 0 H HIS A 117 0.274 6.779 -10.899 1.00 0.00 H new ATOM 0 HA HIS A 117 -0.495 9.523 -10.200 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.186 8.422 -9.756 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.156 9.855 -10.764 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.584 10.441 -8.292 1.00 0.00 H new ATOM 0 HE1 HIS A 117 0.084 11.862 -6.400 1.00 0.00 H new ATOM 0 HE2 HIS A 117 2.676 11.825 -6.345 1.00 0.00 H new ATOM 1815 N SER A 118 -0.949 9.354 -12.630 1.00 0.00 N ATOM 1816 CA SER A 118 -1.134 9.520 -14.062 1.00 0.00 C ATOM 1817 C SER A 118 -1.623 10.938 -14.366 1.00 0.00 C ATOM 1818 O SER A 118 -0.873 11.757 -14.893 1.00 0.00 O ATOM 1819 CB SER A 118 -2.120 8.489 -14.613 1.00 0.00 C ATOM 1820 OG SER A 118 -1.687 7.948 -15.858 1.00 0.00 O ATOM 0 H SER A 118 -1.780 9.540 -12.068 1.00 0.00 H new ATOM 0 HA SER A 118 -0.173 9.361 -14.551 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.243 7.682 -13.890 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.098 8.954 -14.740 1.00 0.00 H new ATOM 0 HG SER A 118 -2.343 7.293 -16.176 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.878 11.183 -14.019 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.476 12.487 -14.248 1.00 0.00 C ATOM 1828 C LYS A 119 -4.902 12.494 -13.694 1.00 0.00 C ATOM 1829 O LYS A 119 -5.776 11.798 -14.209 1.00 0.00 O ATOM 1830 CB LYS A 119 -3.390 12.863 -15.729 1.00 0.00 C ATOM 1831 CG LYS A 119 -3.233 14.375 -15.902 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.756 14.768 -15.977 1.00 0.00 C ATOM 1833 CE LYS A 119 -1.480 16.024 -15.148 1.00 0.00 C ATOM 1834 NZ LYS A 119 -0.670 16.989 -15.924 1.00 0.00 N ATOM 0 H LYS A 119 -3.497 10.501 -13.581 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.922 13.259 -13.714 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.545 12.351 -16.190 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.288 12.525 -16.246 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.745 14.696 -16.809 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.709 14.891 -15.068 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.138 13.946 -15.615 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.475 14.944 -17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.422 16.486 -14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.955 15.754 -14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.492 17.836 -15.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.236 16.551 -16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.185 17.260 -16.786 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.093 13.288 -12.651 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.398 13.395 -12.020 1.00 0.00 C ATOM 1850 C ASN A 120 -6.926 11.993 -11.711 1.00 0.00 C ATOM 1851 O ASN A 120 -6.268 10.998 -12.010 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.402 14.085 -12.946 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.828 15.441 -12.380 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -8.241 15.564 -11.239 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -7.705 16.448 -13.240 1.00 0.00 N ATOM 0 H ASN A 120 -4.366 13.864 -12.227 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.285 13.982 -11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.958 14.222 -13.932 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -8.278 13.450 -13.076 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.964 17.394 -12.958 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.352 16.275 -14.181 1.00 0.00 H new ATOM 1862 N PHE A 121 -8.110 11.959 -11.115 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.734 10.695 -10.762 1.00 0.00 C ATOM 1864 C PHE A 121 -10.073 10.525 -11.482 1.00 0.00 C ATOM 1865 O PHE A 121 -10.803 11.495 -11.679 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.979 10.725 -9.252 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.408 9.378 -8.665 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.582 8.302 -8.759 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.615 9.258 -8.050 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.980 7.052 -8.214 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -11.013 8.009 -7.505 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.187 6.932 -7.599 1.00 0.00 C ATOM 0 H PHE A 121 -8.653 12.786 -10.868 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.089 9.866 -11.053 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.068 11.054 -8.753 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.747 11.466 -9.033 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.624 8.398 -9.248 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.271 10.113 -7.976 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.324 6.197 -8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.971 7.914 -7.016 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.490 5.982 -7.185 1.00 0.00 H new ATOM 1882 N THR A 122 -10.355 9.285 -11.854 1.00 0.00 N ATOM 1883 CA THR A 122 -11.594 8.975 -12.547 1.00 0.00 C ATOM 1884 C THR A 122 -12.426 7.982 -11.734 1.00 0.00 C ATOM 1885 O THR A 122 -12.133 6.788 -11.717 1.00 0.00 O ATOM 1886 CB THR A 122 -11.238 8.467 -13.946 1.00 0.00 C ATOM 1887 OG1 THR A 122 -10.729 9.618 -14.615 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.474 8.080 -14.760 1.00 0.00 C ATOM 0 H THR A 122 -9.747 8.483 -11.689 1.00 0.00 H new ATOM 0 HA THR A 122 -12.219 9.861 -12.656 1.00 0.00 H new ATOM 0 HB THR A 122 -10.574 7.606 -13.861 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.472 9.378 -15.530 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.166 7.726 -15.744 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.017 7.288 -14.243 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.122 8.949 -14.873 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.449 8.513 -11.080 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.326 7.689 -10.266 1.00 0.00 C ATOM 1898 C LYS A 123 -15.127 6.754 -11.174 1.00 0.00 C ATOM 1899 O LYS A 123 -16.109 7.169 -11.787 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.197 8.563 -9.362 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.322 7.954 -7.964 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.551 7.048 -7.868 1.00 0.00 C ATOM 1903 CE LYS A 123 -17.688 7.745 -7.118 1.00 0.00 C ATOM 1904 NZ LYS A 123 -18.324 8.769 -7.975 1.00 0.00 N ATOM 0 H LYS A 123 -13.690 9.504 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.742 7.060 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.765 9.561 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.187 8.675 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.424 7.381 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.393 8.749 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.885 6.774 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -16.286 6.123 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.431 7.010 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.302 8.210 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.093 9.232 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.616 9.480 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.710 8.317 -8.828 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.677 5.509 -11.233 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.340 4.512 -12.056 1.00 0.00 C ATOM 1920 C TYR A 124 -16.296 3.658 -11.220 1.00 0.00 C ATOM 1921 O TYR A 124 -16.251 3.692 -9.991 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.229 3.617 -12.610 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.715 4.044 -13.987 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.583 4.110 -15.057 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.383 4.362 -14.157 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.099 4.512 -16.353 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.899 4.764 -15.453 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.781 4.819 -16.486 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.324 5.198 -17.710 1.00 0.00 O ATOM 0 H TYR A 124 -13.861 5.168 -10.724 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.924 4.990 -12.842 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.396 3.613 -11.908 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.598 2.593 -12.673 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.625 3.860 -14.923 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.704 4.310 -13.319 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.768 4.568 -17.199 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.859 5.016 -15.601 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.364 5.388 -17.656 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.162 2.894 -11.939 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.127 2.033 -11.277 1.00 0.00 C ATOM 1941 C PRO A 125 -17.449 0.788 -10.703 1.00 0.00 C ATOM 1942 O PRO A 125 -16.824 0.024 -11.437 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.161 1.709 -12.343 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.496 2.014 -13.675 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.243 2.829 -13.395 1.00 0.00 C ATOM 0 HA PRO A 125 -18.597 2.511 -10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.464 0.663 -12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -20.061 2.309 -12.209 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.242 1.090 -14.195 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.175 2.568 -14.323 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.359 2.355 -13.820 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.312 3.825 -13.833 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.596 0.621 -9.397 1.00 0.00 N ATOM 1954 CA LYS A 126 -17.005 -0.519 -8.717 1.00 0.00 C ATOM 1955 C LYS A 126 -15.577 -0.170 -8.293 1.00 0.00 C ATOM 1956 O LYS A 126 -15.106 -0.627 -7.252 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.099 -1.771 -9.590 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.484 -1.891 -10.231 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.841 -3.355 -10.495 1.00 0.00 C ATOM 1960 CE LYS A 126 -20.287 -3.648 -10.090 1.00 0.00 C ATOM 1961 NZ LYS A 126 -20.478 -5.098 -9.864 1.00 0.00 N ATOM 0 H LYS A 126 -18.116 1.256 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.560 -0.750 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.336 -1.734 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.896 -2.656 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.232 -1.443 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.505 -1.333 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.702 -3.582 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -18.165 -4.004 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -20.536 -3.097 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -20.966 -3.303 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -21.465 -5.280 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -20.260 -5.617 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.843 -5.418 -9.105 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.928 0.636 -9.120 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.563 1.051 -8.844 1.00 0.00 C ATOM 1977 C LYS A 127 -13.507 1.719 -7.469 1.00 0.00 C ATOM 1978 O LYS A 127 -14.356 2.546 -7.141 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.031 1.929 -9.978 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.878 1.124 -11.270 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.792 0.056 -11.125 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.521 -0.635 -12.463 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.045 -2.019 -12.447 1.00 0.00 N ATOM 0 H LYS A 127 -15.322 1.013 -9.982 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.901 0.186 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.710 2.765 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.068 2.353 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.827 0.651 -11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.627 1.794 -12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.874 0.513 -10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.100 -0.683 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.988 -0.072 -13.271 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.449 -0.648 -12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.853 -2.474 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.580 -2.558 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.071 -2.000 -12.279 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.497 1.337 -6.701 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.318 1.889 -5.369 1.00 0.00 C ATOM 1999 C PHE A 128 -11.677 3.277 -5.433 1.00 0.00 C ATOM 2000 O PHE A 128 -10.824 3.532 -6.281 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.383 0.942 -4.614 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.956 -0.460 -4.403 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.785 -1.416 -5.355 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -12.637 -0.752 -3.262 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.317 -2.718 -5.159 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -13.168 -2.054 -3.065 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.997 -3.009 -4.018 1.00 0.00 C ATOM 0 H PHE A 128 -11.794 0.651 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.284 1.987 -4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.444 0.861 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.148 1.377 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.244 -1.185 -6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -12.774 0.007 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.182 -3.477 -5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -13.708 -2.286 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.402 -3.999 -3.868 1.00 0.00 H new ATOM 2017 N TYR A 129 -12.113 4.137 -4.524 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.593 5.492 -4.466 1.00 0.00 C ATOM 2019 C TYR A 129 -10.905 5.759 -3.126 1.00 0.00 C ATOM 2020 O TYR A 129 -11.096 5.012 -2.167 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.806 6.416 -4.596 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.931 6.107 -3.607 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.837 6.535 -2.298 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -15.042 5.401 -4.023 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.896 6.244 -1.367 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -16.101 5.111 -3.092 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.976 5.546 -1.810 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.977 5.272 -0.931 1.00 0.00 O ATOM 0 H TYR A 129 -12.821 3.921 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.858 5.654 -5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.482 7.447 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -13.198 6.344 -5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.969 7.088 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.117 5.066 -5.047 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.834 6.573 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.976 4.560 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.684 4.769 -1.387 1.00 0.00 H new ATOM 2038 N PRO A 130 -10.099 6.853 -3.101 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.381 7.228 -1.894 1.00 0.00 C ATOM 2040 C PRO A 130 -10.326 7.857 -0.868 1.00 0.00 C ATOM 2041 O PRO A 130 -11.028 8.820 -1.174 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.293 8.180 -2.362 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.727 8.666 -3.735 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.849 7.761 -4.217 1.00 0.00 C ATOM 0 HA PRO A 130 -8.946 6.371 -1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.180 9.015 -1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.328 7.676 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -9.066 9.701 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.889 8.639 -4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.741 8.335 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.559 7.215 -5.115 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.313 7.288 0.328 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.159 7.782 1.401 1.00 0.00 C ATOM 2054 C LEU A 131 -10.550 9.061 1.979 1.00 0.00 C ATOM 2055 O LEU A 131 -11.118 10.143 1.836 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.395 6.688 2.444 1.00 0.00 C ATOM 2057 CG LEU A 131 -11.978 5.374 1.919 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.146 4.358 3.049 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.287 5.617 1.166 1.00 0.00 C ATOM 0 H LEU A 131 -9.730 6.489 0.578 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.145 8.044 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.446 6.471 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.066 7.081 3.208 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.272 4.948 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.562 3.434 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.176 4.153 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.820 4.762 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.680 4.667 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.012 6.078 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.103 6.280 0.320 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.402 8.895 2.619 1.00 0.00 N ATOM 2072 CA GLU A 132 -8.709 10.022 3.218 1.00 0.00 C ATOM 2073 C GLU A 132 -7.896 10.770 2.159 1.00 0.00 C ATOM 2074 O GLU A 132 -7.010 10.193 1.530 1.00 0.00 O ATOM 2075 CB GLU A 132 -7.816 9.566 4.374 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.153 10.325 5.659 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.091 11.383 5.965 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -6.641 12.032 4.995 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -6.754 11.520 7.160 1.00 0.00 O ATOM 0 H GLU A 132 -8.934 7.996 2.736 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.454 10.706 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.943 8.496 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.769 9.728 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.128 10.802 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.224 9.625 6.491 1.00 0.00 H new