USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 771 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 Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.42 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.26 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0864 USER MOD Single : A 45 ASN :FLIP amide:sc= -2.27 F(o=-3.9!,f=-2.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -65:sc= 0.607 USER MOD Single : A 61 THR OG1 : rot -150:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 65 MET CE :methyl -107:sc= -0.145 (180deg=-2.14!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.01) USER MOD Single : A 67 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 70 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.34) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.155 F(o=-0.84,f=-0.15) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -135:sc= -0.185 (180deg=-1.13) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.172) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -82:sc= 1.21 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -134:sc= -0.135 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -80:sc= 1.24 USER MOD Single : A 109 LYS NZ :NH3+ -167:sc= -0.434 (180deg=-0.995) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -3.759 -11.057 -5.946 1.00 0.00 N ATOM 266 CA GLU A 20 -4.207 -11.058 -4.558 1.00 0.00 C ATOM 267 C GLU A 20 -4.183 -9.648 -3.977 1.00 0.00 C ATOM 268 O GLU A 20 -5.143 -9.209 -3.343 1.00 0.00 O ATOM 269 CB GLU A 20 -3.326 -11.984 -3.715 1.00 0.00 C ATOM 270 CG GLU A 20 -3.204 -13.389 -4.282 1.00 0.00 C ATOM 271 CD GLU A 20 -4.543 -14.089 -4.400 1.00 0.00 C ATOM 272 OE1 GLU A 20 -5.268 -13.821 -5.381 1.00 0.00 O ATOM 273 OE2 GLU A 20 -4.866 -14.906 -3.512 1.00 0.00 O ATOM 0 HA GLU A 20 -5.233 -11.424 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.331 -11.547 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.735 -12.042 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.736 -13.340 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.545 -13.978 -3.644 1.00 0.00 H new ATOM 280 N THR A 21 -3.078 -8.941 -4.198 1.00 0.00 N ATOM 281 CA THR A 21 -2.927 -7.581 -3.695 1.00 0.00 C ATOM 282 C THR A 21 -3.012 -6.565 -4.828 1.00 0.00 C ATOM 283 O THR A 21 -2.702 -6.859 -5.983 1.00 0.00 O ATOM 284 CB THR A 21 -1.588 -7.401 -2.958 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.569 -7.001 -3.882 1.00 0.00 O ATOM 286 CG2 THR A 21 -1.172 -8.690 -2.266 1.00 0.00 C ATOM 0 H THR A 21 -2.275 -9.288 -4.722 1.00 0.00 H new ATOM 0 HA THR A 21 -3.744 -7.409 -2.994 1.00 0.00 H new ATOM 0 HB THR A 21 -1.718 -6.627 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.279 -6.887 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.223 -8.537 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.935 -8.977 -1.542 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.060 -9.481 -3.007 1.00 0.00 H new ATOM 294 N PRO A 22 -3.443 -5.340 -4.493 1.00 0.00 N ATOM 295 CA PRO A 22 -3.578 -4.254 -5.468 1.00 0.00 C ATOM 296 C PRO A 22 -2.227 -3.750 -5.966 1.00 0.00 C ATOM 297 O PRO A 22 -1.197 -3.971 -5.327 1.00 0.00 O ATOM 298 CB PRO A 22 -4.300 -3.157 -4.681 1.00 0.00 C ATOM 299 CG PRO A 22 -3.957 -3.426 -3.256 1.00 0.00 C ATOM 300 CD PRO A 22 -3.830 -4.919 -3.136 1.00 0.00 C ATOM 0 HA PRO A 22 -4.110 -4.575 -6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.968 -2.165 -4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.377 -3.197 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.026 -2.932 -2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.731 -3.045 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.078 -5.200 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.768 -5.378 -2.825 1.00 0.00 H new ATOM 308 N SER A 23 -2.237 -3.072 -7.109 1.00 0.00 N ATOM 309 CA SER A 23 -1.012 -2.541 -7.694 1.00 0.00 C ATOM 310 C SER A 23 -0.359 -1.528 -6.759 1.00 0.00 C ATOM 311 O SER A 23 0.867 -1.450 -6.668 1.00 0.00 O ATOM 312 CB SER A 23 -1.308 -1.887 -9.045 1.00 0.00 C ATOM 313 OG SER A 23 -2.146 -0.754 -8.891 1.00 0.00 O ATOM 0 H SER A 23 -3.081 -2.877 -7.648 1.00 0.00 H new ATOM 0 HA SER A 23 -0.321 -3.371 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.374 -1.590 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.787 -2.610 -9.705 1.00 0.00 H new ATOM 0 HG SER A 23 -2.319 -0.353 -9.768 1.00 0.00 H new ATOM 319 N CYS A 24 -1.186 -0.753 -6.064 1.00 0.00 N ATOM 320 CA CYS A 24 -0.691 0.256 -5.136 1.00 0.00 C ATOM 321 C CYS A 24 0.292 -0.355 -4.142 1.00 0.00 C ATOM 322 O CYS A 24 1.280 0.274 -3.764 1.00 0.00 O ATOM 323 CB CYS A 24 -1.855 0.905 -4.387 1.00 0.00 C ATOM 324 SG CYS A 24 -2.812 -0.244 -3.371 1.00 0.00 S ATOM 0 H CYS A 24 -2.203 -0.805 -6.127 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.169 1.020 -5.713 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.465 1.699 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.521 1.375 -5.110 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.772 0.399 -2.776 1.00 0.00 H new ATOM 330 N PHE A 25 0.011 -1.583 -3.720 1.00 0.00 N ATOM 331 CA PHE A 25 0.868 -2.279 -2.767 1.00 0.00 C ATOM 332 C PHE A 25 2.273 -2.466 -3.334 1.00 0.00 C ATOM 333 O PHE A 25 2.461 -2.522 -4.550 1.00 0.00 O ATOM 334 CB PHE A 25 0.267 -3.639 -2.406 1.00 0.00 C ATOM 335 CG PHE A 25 1.159 -4.477 -1.536 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.279 -5.098 -2.064 1.00 0.00 C ATOM 337 CD2 PHE A 25 0.878 -4.643 -0.189 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.102 -5.871 -1.266 1.00 0.00 C ATOM 339 CE2 PHE A 25 1.697 -5.414 0.615 1.00 0.00 C ATOM 340 CZ PHE A 25 2.811 -6.028 0.075 1.00 0.00 C ATOM 0 H PHE A 25 -0.804 -2.117 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 25 0.937 -1.669 -1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.683 -3.483 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.050 -4.186 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.512 -4.977 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.009 -4.164 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.971 -6.351 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.467 -5.536 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.453 -6.630 0.701 1.00 0.00 H new ATOM 350 N LEU A 26 3.255 -2.562 -2.446 1.00 0.00 N ATOM 351 CA LEU A 26 4.643 -2.742 -2.856 1.00 0.00 C ATOM 352 C LEU A 26 5.437 -3.476 -1.780 1.00 0.00 C ATOM 353 O LEU A 26 5.094 -3.430 -0.599 1.00 0.00 O ATOM 354 CB LEU A 26 5.290 -1.387 -3.147 1.00 0.00 C ATOM 355 CG LEU A 26 4.645 -0.176 -2.472 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.793 -0.267 -0.960 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.258 1.115 -2.992 1.00 0.00 C ATOM 0 H LEU A 26 3.116 -2.518 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 26 4.652 -3.345 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.336 -1.433 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.279 -1.226 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 26 3.582 -0.173 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.328 0.603 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.306 -1.174 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.851 -0.296 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.786 1.966 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.327 1.121 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.100 1.185 -4.068 1.00 0.00 H new ATOM 369 N LYS A 27 6.503 -4.152 -2.197 1.00 0.00 N ATOM 370 CA LYS A 27 7.350 -4.893 -1.271 1.00 0.00 C ATOM 371 C LYS A 27 8.543 -4.050 -0.830 1.00 0.00 C ATOM 372 O LYS A 27 9.491 -3.852 -1.590 1.00 0.00 O ATOM 373 CB LYS A 27 7.841 -6.189 -1.922 1.00 0.00 C ATOM 374 CG LYS A 27 6.784 -7.278 -1.980 1.00 0.00 C ATOM 375 CD LYS A 27 5.936 -7.164 -3.236 1.00 0.00 C ATOM 376 CE LYS A 27 5.006 -8.358 -3.391 1.00 0.00 C ATOM 377 NZ LYS A 27 5.676 -9.496 -4.080 1.00 0.00 N ATOM 0 H LYS A 27 6.800 -4.201 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 27 6.755 -5.138 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.182 -5.971 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.703 -6.560 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.265 -8.256 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.144 -7.213 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.349 -6.247 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.585 -7.091 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.661 -8.680 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.123 -8.060 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.010 -10.290 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.982 -9.196 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.504 -9.797 -3.528 1.00 0.00 H new ATOM 391 N VAL A 28 8.489 -3.557 0.404 1.00 0.00 N ATOM 392 CA VAL A 28 9.566 -2.737 0.946 1.00 0.00 C ATOM 393 C VAL A 28 9.642 -2.865 2.464 1.00 0.00 C ATOM 394 O VAL A 28 8.758 -3.446 3.093 1.00 0.00 O ATOM 395 CB VAL A 28 9.384 -1.254 0.575 1.00 0.00 C ATOM 396 CG1 VAL A 28 8.875 -1.118 -0.852 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.438 -0.573 1.553 1.00 0.00 C ATOM 0 H VAL A 28 7.712 -3.711 1.046 1.00 0.00 H new ATOM 0 HA VAL A 28 10.494 -3.102 0.506 1.00 0.00 H new ATOM 0 HB VAL A 28 10.354 -0.761 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.753 -0.063 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.592 -1.568 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.915 -1.626 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.321 0.475 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.467 -1.067 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.848 -0.638 2.561 1.00 0.00 H new ATOM 407 N SER A 29 10.703 -2.317 3.046 1.00 0.00 N ATOM 408 CA SER A 29 10.896 -2.371 4.491 1.00 0.00 C ATOM 409 C SER A 29 10.046 -1.318 5.193 1.00 0.00 C ATOM 410 O SER A 29 9.748 -0.266 4.627 1.00 0.00 O ATOM 411 CB SER A 29 12.372 -2.165 4.836 1.00 0.00 C ATOM 412 OG SER A 29 12.726 -0.794 4.763 1.00 0.00 O ATOM 0 H SER A 29 11.443 -1.830 2.540 1.00 0.00 H new ATOM 0 HA SER A 29 10.582 -3.355 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.570 -2.542 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.993 -2.741 4.150 1.00 0.00 H new ATOM 0 HG SER A 29 13.674 -0.688 4.989 1.00 0.00 H new ATOM 418 N ARG A 30 9.656 -1.609 6.430 1.00 0.00 N ATOM 419 CA ARG A 30 8.838 -0.689 7.211 1.00 0.00 C ATOM 420 C ARG A 30 9.458 0.705 7.232 1.00 0.00 C ATOM 421 O ARG A 30 8.786 1.691 7.537 1.00 0.00 O ATOM 422 CB ARG A 30 8.672 -1.208 8.641 1.00 0.00 C ATOM 423 CG ARG A 30 9.918 -1.044 9.495 1.00 0.00 C ATOM 424 CD ARG A 30 10.853 -2.235 9.350 1.00 0.00 C ATOM 425 NE ARG A 30 10.213 -3.485 9.752 1.00 0.00 N ATOM 426 CZ ARG A 30 10.851 -4.648 9.818 1.00 0.00 C ATOM 427 NH1 ARG A 30 12.139 -4.721 9.510 1.00 0.00 N ATOM 428 NH2 ARG A 30 10.200 -5.742 10.192 1.00 0.00 N ATOM 0 H ARG A 30 9.894 -2.475 6.913 1.00 0.00 H new ATOM 0 HA ARG A 30 7.857 -0.624 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.844 -0.682 9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.401 -2.263 8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.441 -0.132 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.632 -0.930 10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.183 -2.313 8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.744 -2.072 9.956 1.00 0.00 H new ATOM 0 HE ARG A 30 9.223 -3.464 9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.643 -3.882 9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.626 -5.616 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.209 -5.690 10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.690 -6.635 10.243 1.00 0.00 H new ATOM 442 N LEU A 31 10.745 0.780 6.907 1.00 0.00 N ATOM 443 CA LEU A 31 11.456 2.053 6.889 1.00 0.00 C ATOM 444 C LEU A 31 11.334 2.726 5.526 1.00 0.00 C ATOM 445 O LEU A 31 10.973 3.899 5.433 1.00 0.00 O ATOM 446 CB LEU A 31 12.930 1.841 7.237 1.00 0.00 C ATOM 447 CG LEU A 31 13.241 1.565 8.708 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.743 1.529 8.940 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.587 2.613 9.597 1.00 0.00 C ATOM 0 H LEU A 31 11.316 -0.026 6.653 1.00 0.00 H new ATOM 0 HA LEU A 31 11.003 2.705 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.306 1.007 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.486 2.727 6.929 1.00 0.00 H new ATOM 0 HG LEU A 31 12.831 0.589 8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.944 1.331 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.186 0.741 8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.177 2.489 8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.819 2.401 10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.966 3.601 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.507 2.589 9.453 1.00 0.00 H new ATOM 461 N GLU A 32 11.637 1.975 4.472 1.00 0.00 N ATOM 462 CA GLU A 32 11.560 2.499 3.114 1.00 0.00 C ATOM 463 C GLU A 32 10.164 3.041 2.818 1.00 0.00 C ATOM 464 O GLU A 32 10.014 4.157 2.322 1.00 0.00 O ATOM 465 CB GLU A 32 11.921 1.410 2.102 1.00 0.00 C ATOM 466 CG GLU A 32 13.382 0.993 2.151 1.00 0.00 C ATOM 467 CD GLU A 32 14.314 2.075 1.640 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.016 2.664 0.580 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.340 2.333 2.302 1.00 0.00 O ATOM 0 H GLU A 32 11.938 1.002 4.533 1.00 0.00 H new ATOM 0 HA GLU A 32 12.275 3.317 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.296 0.536 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.687 1.766 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.650 0.742 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.519 0.090 1.556 1.00 0.00 H new ATOM 476 N ALA A 33 9.148 2.242 3.127 1.00 0.00 N ATOM 477 CA ALA A 33 7.766 2.642 2.896 1.00 0.00 C ATOM 478 C ALA A 33 7.516 4.064 3.387 1.00 0.00 C ATOM 479 O ALA A 33 6.787 4.829 2.756 1.00 0.00 O ATOM 480 CB ALA A 33 6.814 1.671 3.580 1.00 0.00 C ATOM 0 H ALA A 33 9.256 1.315 3.538 1.00 0.00 H new ATOM 0 HA ALA A 33 7.582 2.619 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.785 1.982 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.966 0.669 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.008 1.666 4.653 1.00 0.00 H new ATOM 486 N GLN A 34 8.124 4.411 4.517 1.00 0.00 N ATOM 487 CA GLN A 34 7.965 5.741 5.093 1.00 0.00 C ATOM 488 C GLN A 34 8.634 6.795 4.217 1.00 0.00 C ATOM 489 O GLN A 34 7.961 7.619 3.594 1.00 0.00 O ATOM 490 CB GLN A 34 8.555 5.784 6.503 1.00 0.00 C ATOM 491 CG GLN A 34 7.862 6.776 7.423 1.00 0.00 C ATOM 492 CD GLN A 34 8.526 6.874 8.782 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.497 6.170 9.064 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.006 7.749 9.634 1.00 0.00 N ATOM 0 H GLN A 34 8.731 3.790 5.052 1.00 0.00 H new ATOM 0 HA GLN A 34 6.899 5.961 5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.494 4.789 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.613 6.040 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.858 7.760 6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.821 6.480 7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.201 8.312 9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.411 7.858 10.564 1.00 0.00 H new ATOM 503 N LEU A 35 9.961 6.767 4.174 1.00 0.00 N ATOM 504 CA LEU A 35 10.721 7.721 3.375 1.00 0.00 C ATOM 505 C LEU A 35 10.258 7.706 1.921 1.00 0.00 C ATOM 506 O LEU A 35 10.466 8.669 1.182 1.00 0.00 O ATOM 507 CB LEU A 35 12.216 7.403 3.449 1.00 0.00 C ATOM 508 CG LEU A 35 12.733 6.376 2.440 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.927 7.018 1.076 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.035 5.757 2.930 1.00 0.00 C ATOM 0 H LEU A 35 10.533 6.094 4.683 1.00 0.00 H new ATOM 0 HA LEU A 35 10.547 8.717 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.772 8.330 3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.441 7.042 4.453 1.00 0.00 H new ATOM 0 HG LEU A 35 11.990 5.584 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.295 6.272 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.975 7.413 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.650 7.830 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.389 5.029 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.785 6.538 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.865 5.260 3.885 1.00 0.00 H new ATOM 522 N LEU A 36 9.628 6.609 1.519 1.00 0.00 N ATOM 523 CA LEU A 36 9.131 6.468 0.154 1.00 0.00 C ATOM 524 C LEU A 36 8.024 7.479 -0.129 1.00 0.00 C ATOM 525 O LEU A 36 7.797 7.860 -1.278 1.00 0.00 O ATOM 526 CB LEU A 36 8.613 5.047 -0.077 1.00 0.00 C ATOM 527 CG LEU A 36 9.652 4.018 -0.523 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.077 2.612 -0.446 1.00 0.00 C ATOM 529 CD2 LEU A 36 10.136 4.324 -1.933 1.00 0.00 C ATOM 0 H LEU A 36 9.449 5.803 2.118 1.00 0.00 H new ATOM 0 HA LEU A 36 9.957 6.662 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.155 4.694 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.825 5.087 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 36 10.506 4.076 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.830 1.893 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.783 2.395 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.205 2.539 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.875 3.581 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.292 4.295 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.588 5.315 -1.955 1.00 0.00 H new ATOM 541 N LEU A 37 7.340 7.909 0.924 1.00 0.00 N ATOM 542 CA LEU A 37 6.258 8.878 0.789 1.00 0.00 C ATOM 543 C LEU A 37 6.804 10.260 0.445 1.00 0.00 C ATOM 544 O LEU A 37 6.440 10.844 -0.576 1.00 0.00 O ATOM 545 CB LEU A 37 5.443 8.945 2.082 1.00 0.00 C ATOM 546 CG LEU A 37 4.838 7.627 2.565 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.550 7.685 4.057 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.570 7.306 1.787 1.00 0.00 C ATOM 0 H LEU A 37 7.515 7.602 1.881 1.00 0.00 H new ATOM 0 HA LEU A 37 5.610 8.552 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.084 9.338 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.634 9.662 1.941 1.00 0.00 H new ATOM 0 HG LEU A 37 5.561 6.831 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.120 6.738 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.478 7.867 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.846 8.492 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.153 6.364 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.842 8.104 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.806 7.219 0.726 1.00 0.00 H new ATOM 560 N GLU A 38 7.678 10.776 1.303 1.00 0.00 N ATOM 561 CA GLU A 38 8.275 12.089 1.089 1.00 0.00 C ATOM 562 C GLU A 38 9.077 12.116 -0.209 1.00 0.00 C ATOM 563 O GLU A 38 9.150 13.144 -0.884 1.00 0.00 O ATOM 564 CB GLU A 38 9.177 12.463 2.267 1.00 0.00 C ATOM 565 CG GLU A 38 10.235 11.417 2.578 1.00 0.00 C ATOM 566 CD GLU A 38 11.082 11.784 3.781 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.376 12.986 3.955 1.00 0.00 O ATOM 568 OE2 GLU A 38 11.450 10.871 4.550 1.00 0.00 O ATOM 0 H GLU A 38 7.988 10.305 2.153 1.00 0.00 H new ATOM 0 HA GLU A 38 7.469 12.818 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.668 13.412 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.560 12.618 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.750 10.458 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.881 11.289 1.709 1.00 0.00 H new ATOM 575 N ARG A 39 9.676 10.981 -0.552 1.00 0.00 N ATOM 576 CA ARG A 39 10.475 10.874 -1.767 1.00 0.00 C ATOM 577 C ARG A 39 9.596 11.004 -3.007 1.00 0.00 C ATOM 578 O ARG A 39 9.847 11.842 -3.874 1.00 0.00 O ATOM 579 CB ARG A 39 11.223 9.541 -1.797 1.00 0.00 C ATOM 580 CG ARG A 39 12.578 9.587 -1.108 1.00 0.00 C ATOM 581 CD ARG A 39 13.661 10.102 -2.043 1.00 0.00 C ATOM 582 NE ARG A 39 14.947 10.239 -1.367 1.00 0.00 N ATOM 583 CZ ARG A 39 16.057 10.647 -1.974 1.00 0.00 C ATOM 584 NH1 ARG A 39 16.036 10.956 -3.263 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.190 10.747 -1.290 1.00 0.00 N ATOM 0 H ARG A 39 9.623 10.121 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 39 11.200 11.688 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.608 8.778 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.362 9.235 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.519 10.229 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.843 8.590 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.766 9.420 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.360 11.068 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 39 14.997 10.009 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.167 10.881 -3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.889 11.269 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.209 10.511 -0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.041 11.060 -1.756 1.00 0.00 H new ATOM 599 N TYR A 40 8.565 10.169 -3.086 1.00 0.00 N ATOM 600 CA TYR A 40 7.651 10.188 -4.222 1.00 0.00 C ATOM 601 C TYR A 40 6.293 10.753 -3.818 1.00 0.00 C ATOM 602 O TYR A 40 5.329 10.020 -3.596 1.00 0.00 O ATOM 603 CB TYR A 40 7.481 8.778 -4.791 1.00 0.00 C ATOM 604 CG TYR A 40 8.791 8.069 -5.051 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.570 7.597 -4.001 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.250 7.870 -6.347 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.767 6.949 -4.234 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.446 7.223 -6.590 1.00 0.00 C ATOM 609 CZ TYR A 40 11.201 6.764 -5.531 1.00 0.00 C ATOM 610 OH TYR A 40 12.393 6.118 -5.769 1.00 0.00 O ATOM 0 H TYR A 40 8.342 9.471 -2.377 1.00 0.00 H new ATOM 0 HA TYR A 40 8.079 10.833 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.887 8.184 -4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.918 8.836 -5.722 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.233 7.740 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.661 8.227 -7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.360 6.589 -3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.788 7.077 -7.604 1.00 0.00 H new ATOM 0 HH TYR A 40 12.552 6.069 -6.735 1.00 0.00 H new ATOM 620 N PRO A 41 6.213 12.088 -3.721 1.00 0.00 N ATOM 621 CA PRO A 41 4.978 12.782 -3.346 1.00 0.00 C ATOM 622 C PRO A 41 3.912 12.700 -4.433 1.00 0.00 C ATOM 623 O PRO A 41 2.749 12.414 -4.153 1.00 0.00 O ATOM 624 CB PRO A 41 5.431 14.232 -3.149 1.00 0.00 C ATOM 625 CG PRO A 41 6.647 14.366 -4.000 1.00 0.00 C ATOM 626 CD PRO A 41 7.323 13.023 -3.971 1.00 0.00 C ATOM 0 HA PRO A 41 4.516 12.341 -2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.655 14.934 -3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.655 14.438 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.381 14.647 -5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.308 15.144 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.827 12.806 -4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.078 12.970 -3.186 1.00 0.00 H new ATOM 634 N GLU A 42 4.319 12.952 -5.674 1.00 0.00 N ATOM 635 CA GLU A 42 3.397 12.905 -6.802 1.00 0.00 C ATOM 636 C GLU A 42 2.622 11.591 -6.819 1.00 0.00 C ATOM 637 O GLU A 42 1.391 11.586 -6.863 1.00 0.00 O ATOM 638 CB GLU A 42 4.159 13.078 -8.118 1.00 0.00 C ATOM 639 CG GLU A 42 5.237 12.029 -8.339 1.00 0.00 C ATOM 640 CD GLU A 42 6.211 12.415 -9.436 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.847 12.283 -10.624 1.00 0.00 O ATOM 642 OE2 GLU A 42 7.334 12.849 -9.107 1.00 0.00 O ATOM 0 H GLU A 42 5.279 13.190 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 42 2.686 13.723 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.451 13.040 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.617 14.067 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.785 11.875 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.767 11.079 -8.593 1.00 0.00 H new ATOM 649 N CYS A 43 3.351 10.481 -6.783 1.00 0.00 N ATOM 650 CA CYS A 43 2.732 9.160 -6.794 1.00 0.00 C ATOM 651 C CYS A 43 1.547 9.106 -5.835 1.00 0.00 C ATOM 652 O CYS A 43 0.454 8.679 -6.205 1.00 0.00 O ATOM 653 CB CYS A 43 3.758 8.091 -6.419 1.00 0.00 C ATOM 654 SG CYS A 43 5.043 7.831 -7.665 1.00 0.00 S ATOM 0 H CYS A 43 4.370 10.469 -6.746 1.00 0.00 H new ATOM 0 HA CYS A 43 2.367 8.965 -7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.231 8.371 -5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.238 7.149 -6.246 1.00 0.00 H new ATOM 0 HG CYS A 43 5.864 6.910 -7.256 1.00 0.00 H new ATOM 660 N GLY A 44 1.774 9.539 -4.598 1.00 0.00 N ATOM 661 CA GLY A 44 0.717 9.529 -3.604 1.00 0.00 C ATOM 662 C GLY A 44 1.251 9.396 -2.191 1.00 0.00 C ATOM 663 O GLY A 44 2.461 9.448 -1.971 1.00 0.00 O ATOM 0 H GLY A 44 2.670 9.896 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.138 10.449 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.036 8.704 -3.811 1.00 0.00 H new ATOM 667 N ASN A 45 0.348 9.226 -1.232 1.00 0.00 N ATOM 668 CA ASN A 45 0.735 9.088 0.166 1.00 0.00 C ATOM 669 C ASN A 45 0.234 7.767 0.742 1.00 0.00 C ATOM 670 O ASN A 45 0.847 7.198 1.646 1.00 0.00 O ATOM 671 CB ASN A 45 0.184 10.255 0.988 1.00 0.00 C ATOM 672 CG ASN A 45 -1.330 10.244 1.066 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.859 10.061 2.270 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -2.016 10.398 0.055 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.657 9.180 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 45 1.824 9.098 0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.597 10.213 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.515 11.195 0.547 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.567 10.536 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.034 10.388 0.123 1.00 0.00 H new ATOM 681 N LEU A 46 -0.884 7.283 0.211 1.00 0.00 N ATOM 682 CA LEU A 46 -1.469 6.027 0.669 1.00 0.00 C ATOM 683 C LEU A 46 -0.738 4.833 0.064 1.00 0.00 C ATOM 684 O LEU A 46 -0.743 4.640 -1.153 1.00 0.00 O ATOM 685 CB LEU A 46 -2.953 5.970 0.306 1.00 0.00 C ATOM 686 CG LEU A 46 -3.566 4.572 0.206 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.825 4.004 1.593 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.853 4.611 -0.605 1.00 0.00 C ATOM 0 H LEU A 46 -1.404 7.741 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.366 5.981 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.511 6.537 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.093 6.475 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.858 3.920 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.261 3.009 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.885 3.940 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.515 4.655 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.275 3.608 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.568 5.277 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.639 4.976 -1.610 1.00 0.00 H new ATOM 700 N LEU A 47 -0.111 4.033 0.920 1.00 0.00 N ATOM 701 CA LEU A 47 0.622 2.855 0.469 1.00 0.00 C ATOM 702 C LEU A 47 0.427 1.690 1.435 1.00 0.00 C ATOM 703 O LEU A 47 0.134 1.890 2.614 1.00 0.00 O ATOM 704 CB LEU A 47 2.112 3.177 0.335 1.00 0.00 C ATOM 705 CG LEU A 47 2.957 2.975 1.592 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.501 1.556 1.647 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.093 3.986 1.639 1.00 0.00 C ATOM 0 H LEU A 47 -0.096 4.179 1.929 1.00 0.00 H new ATOM 0 HA LEU A 47 0.230 2.565 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.527 2.558 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.212 4.215 0.017 1.00 0.00 H new ATOM 0 HG LEU A 47 2.321 3.132 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.100 1.431 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.672 0.849 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.122 1.370 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.684 3.827 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.728 3.861 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.682 4.995 1.648 1.00 0.00 H new ATOM 719 N LEU A 48 0.593 0.474 0.927 1.00 0.00 N ATOM 720 CA LEU A 48 0.438 -0.724 1.745 1.00 0.00 C ATOM 721 C LEU A 48 1.723 -1.545 1.757 1.00 0.00 C ATOM 722 O LEU A 48 2.185 -2.011 0.715 1.00 0.00 O ATOM 723 CB LEU A 48 -0.719 -1.577 1.221 1.00 0.00 C ATOM 724 CG LEU A 48 -2.124 -1.113 1.608 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.635 -0.075 0.619 1.00 0.00 C ATOM 726 CD2 LEU A 48 -3.076 -2.298 1.680 1.00 0.00 C ATOM 0 H LEU A 48 0.835 0.291 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 48 0.218 -0.411 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.656 -1.610 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.583 -2.597 1.580 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.075 -0.652 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.636 0.243 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.966 0.786 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.669 -0.510 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.071 -1.949 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.121 -2.788 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.719 -3.007 2.427 1.00 0.00 H new ATOM 738 N ARG A 49 2.296 -1.720 2.944 1.00 0.00 N ATOM 739 CA ARG A 49 3.528 -2.486 3.093 1.00 0.00 C ATOM 740 C ARG A 49 3.271 -3.787 3.849 1.00 0.00 C ATOM 741 O ARG A 49 2.459 -3.847 4.772 1.00 0.00 O ATOM 742 CB ARG A 49 4.583 -1.657 3.827 1.00 0.00 C ATOM 743 CG ARG A 49 4.193 -1.297 5.251 1.00 0.00 C ATOM 744 CD ARG A 49 5.209 -0.363 5.889 1.00 0.00 C ATOM 745 NE ARG A 49 5.211 -0.468 7.345 1.00 0.00 N ATOM 746 CZ ARG A 49 5.739 -1.492 8.008 1.00 0.00 C ATOM 747 NH1 ARG A 49 6.306 -2.492 7.348 1.00 0.00 N ATOM 748 NH2 ARG A 49 5.702 -1.516 9.334 1.00 0.00 N ATOM 0 H ARG A 49 1.927 -1.342 3.816 1.00 0.00 H new ATOM 0 HA ARG A 49 3.897 -2.731 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.521 -2.212 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.767 -0.740 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.211 -0.823 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.109 -2.206 5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.204 -0.595 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.988 0.665 5.600 1.00 0.00 H new ATOM 0 HE ARG A 49 4.784 0.286 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.338 -2.477 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.710 -3.276 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.268 -0.748 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.108 -2.302 9.841 1.00 0.00 H new ATOM 762 N PRO A 50 3.978 -4.854 3.448 1.00 0.00 N ATOM 763 CA PRO A 50 3.845 -6.172 4.073 1.00 0.00 C ATOM 764 C PRO A 50 4.413 -6.203 5.488 1.00 0.00 C ATOM 765 O PRO A 50 5.581 -5.876 5.705 1.00 0.00 O ATOM 766 CB PRO A 50 4.655 -7.086 3.151 1.00 0.00 C ATOM 767 CG PRO A 50 5.648 -6.184 2.501 1.00 0.00 C ATOM 768 CD PRO A 50 4.964 -4.854 2.354 1.00 0.00 C ATOM 0 HA PRO A 50 2.802 -6.469 4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.149 -7.879 3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.016 -7.570 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.549 -6.094 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.954 -6.575 1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.668 -4.027 2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.484 -4.755 1.380 1.00 0.00 H new ATOM 776 N SER A 51 3.583 -6.599 6.447 1.00 0.00 N ATOM 777 CA SER A 51 4.003 -6.669 7.842 1.00 0.00 C ATOM 778 C SER A 51 3.864 -8.090 8.379 1.00 0.00 C ATOM 779 O SER A 51 2.953 -8.388 9.150 1.00 0.00 O ATOM 780 CB SER A 51 3.176 -5.706 8.694 1.00 0.00 C ATOM 781 OG SER A 51 3.690 -5.621 10.012 1.00 0.00 O ATOM 0 H SER A 51 2.615 -6.877 6.284 1.00 0.00 H new ATOM 0 HA SER A 51 5.053 -6.380 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.177 -4.717 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.139 -6.042 8.725 1.00 0.00 H new ATOM 0 HG SER A 51 3.145 -4.998 10.536 1.00 0.00 H new ATOM 835 N GLY A 57 -0.821 -10.513 7.105 1.00 0.00 N ATOM 836 CA GLY A 57 -0.926 -9.207 7.729 1.00 0.00 C ATOM 837 C GLY A 57 -0.275 -8.115 6.902 1.00 0.00 C ATOM 838 O GLY A 57 0.897 -8.216 6.540 1.00 0.00 O ATOM 0 HA2 GLY A 57 -1.978 -8.964 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.460 -9.240 8.714 1.00 0.00 H new ATOM 842 N VAL A 58 -1.038 -7.070 6.600 1.00 0.00 N ATOM 843 CA VAL A 58 -0.530 -5.954 5.810 1.00 0.00 C ATOM 844 C VAL A 58 -0.793 -4.623 6.505 1.00 0.00 C ATOM 845 O VAL A 58 -1.855 -4.418 7.092 1.00 0.00 O ATOM 846 CB VAL A 58 -1.166 -5.925 4.407 1.00 0.00 C ATOM 847 CG1 VAL A 58 -0.739 -4.673 3.655 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.795 -7.177 3.629 1.00 0.00 C ATOM 0 H VAL A 58 -2.011 -6.972 6.890 1.00 0.00 H new ATOM 0 HA VAL A 58 0.546 -6.100 5.710 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.250 -5.902 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.197 -4.669 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.059 -3.790 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.346 -4.663 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.253 -7.140 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.289 -7.233 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.155 -8.057 4.163 1.00 0.00 H new ATOM 858 N SER A 59 0.179 -3.721 6.432 1.00 0.00 N ATOM 859 CA SER A 59 0.054 -2.409 7.057 1.00 0.00 C ATOM 860 C SER A 59 -0.216 -1.333 6.010 1.00 0.00 C ATOM 861 O SER A 59 0.060 -1.520 4.825 1.00 0.00 O ATOM 862 CB SER A 59 1.325 -2.069 7.838 1.00 0.00 C ATOM 863 OG SER A 59 1.260 -2.573 9.161 1.00 0.00 O ATOM 0 H SER A 59 1.063 -3.874 5.946 1.00 0.00 H new ATOM 0 HA SER A 59 -0.790 -2.441 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.192 -2.488 7.328 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.462 -0.988 7.863 1.00 0.00 H new ATOM 0 HG SER A 59 0.543 -2.117 9.650 1.00 0.00 H new ATOM 869 N VAL A 60 -0.759 -0.204 6.457 1.00 0.00 N ATOM 870 CA VAL A 60 -1.066 0.904 5.561 1.00 0.00 C ATOM 871 C VAL A 60 -0.408 2.195 6.036 1.00 0.00 C ATOM 872 O VAL A 60 -0.692 2.682 7.130 1.00 0.00 O ATOM 873 CB VAL A 60 -2.586 1.127 5.445 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.894 2.155 4.367 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.297 -0.187 5.159 1.00 0.00 C ATOM 0 H VAL A 60 -0.995 -0.033 7.435 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.669 0.638 4.581 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.953 1.512 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.972 2.299 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.416 3.102 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.515 1.802 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.370 -0.011 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.928 -0.604 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.103 -0.889 5.970 1.00 0.00 H new ATOM 885 N THR A 61 0.473 2.743 5.205 1.00 0.00 N ATOM 886 CA THR A 61 1.173 3.977 5.541 1.00 0.00 C ATOM 887 C THR A 61 0.595 5.162 4.775 1.00 0.00 C ATOM 888 O THR A 61 0.575 5.169 3.544 1.00 0.00 O ATOM 889 CB THR A 61 2.679 3.870 5.237 1.00 0.00 C ATOM 890 OG1 THR A 61 3.156 2.565 5.585 1.00 0.00 O ATOM 891 CG2 THR A 61 3.463 4.923 6.006 1.00 0.00 C ATOM 0 H THR A 61 0.719 2.352 4.295 1.00 0.00 H new ATOM 0 HA THR A 61 1.037 4.137 6.611 1.00 0.00 H new ATOM 0 HB THR A 61 2.825 4.039 4.170 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.098 2.621 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.524 4.827 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.117 5.916 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.310 4.781 7.076 1.00 0.00 H new ATOM 899 N THR A 62 0.126 6.166 5.511 1.00 0.00 N ATOM 900 CA THR A 62 -0.452 7.356 4.901 1.00 0.00 C ATOM 901 C THR A 62 0.009 8.620 5.617 1.00 0.00 C ATOM 902 O THR A 62 0.052 8.668 6.846 1.00 0.00 O ATOM 903 CB THR A 62 -1.992 7.304 4.916 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.469 7.332 6.266 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.498 6.049 4.221 1.00 0.00 C ATOM 0 H THR A 62 0.136 6.178 6.531 1.00 0.00 H new ATOM 0 HA THR A 62 -0.107 7.380 3.867 1.00 0.00 H new ATOM 0 HB THR A 62 -2.368 8.175 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.448 7.300 6.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.588 6.034 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.157 6.044 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.112 5.168 4.734 1.00 0.00 H new ATOM 913 N ARG A 63 0.353 9.643 4.840 1.00 0.00 N ATOM 914 CA ARG A 63 0.812 10.907 5.402 1.00 0.00 C ATOM 915 C ARG A 63 0.163 12.088 4.684 1.00 0.00 C ATOM 916 O ARG A 63 -0.083 12.034 3.480 1.00 0.00 O ATOM 917 CB ARG A 63 2.335 11.011 5.302 1.00 0.00 C ATOM 918 CG ARG A 63 2.835 11.295 3.894 1.00 0.00 C ATOM 919 CD ARG A 63 4.239 11.879 3.909 1.00 0.00 C ATOM 920 NE ARG A 63 4.557 12.574 2.665 1.00 0.00 N ATOM 921 CZ ARG A 63 3.972 13.706 2.285 1.00 0.00 C ATOM 922 NH1 ARG A 63 3.046 14.266 3.050 1.00 0.00 N ATOM 923 NH2 ARG A 63 4.315 14.278 1.138 1.00 0.00 N ATOM 0 H ARG A 63 0.322 9.621 3.821 1.00 0.00 H new ATOM 0 HA ARG A 63 0.521 10.936 6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.681 11.802 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.778 10.080 5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.829 10.374 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.156 11.989 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.334 12.571 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.962 11.080 4.073 1.00 0.00 H new ATOM 0 HE ARG A 63 5.267 12.169 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.781 13.829 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.599 15.134 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.028 13.849 0.547 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.866 15.146 0.847 1.00 0.00 H new ATOM 937 N GLN A 64 -0.113 13.150 5.434 1.00 0.00 N ATOM 938 CA GLN A 64 -0.735 14.341 4.870 1.00 0.00 C ATOM 939 C GLN A 64 -0.670 15.506 5.853 1.00 0.00 C ATOM 940 O GLN A 64 -0.268 15.338 7.003 1.00 0.00 O ATOM 941 CB GLN A 64 -2.191 14.054 4.496 1.00 0.00 C ATOM 942 CG GLN A 64 -2.889 13.103 5.454 1.00 0.00 C ATOM 943 CD GLN A 64 -4.396 13.266 5.443 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.103 12.552 4.730 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.896 14.207 6.234 1.00 0.00 N ATOM 0 H GLN A 64 0.084 13.210 6.433 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.184 14.617 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.742 14.994 4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.223 13.633 3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.636 12.076 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.516 13.272 6.464 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.273 14.775 6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.904 14.362 6.268 1.00 0.00 H new ATOM 954 N MET A 65 -1.069 16.687 5.390 1.00 0.00 N ATOM 955 CA MET A 65 -1.057 17.879 6.230 1.00 0.00 C ATOM 956 C MET A 65 -2.115 17.785 7.323 1.00 0.00 C ATOM 957 O MET A 65 -3.291 18.070 7.088 1.00 0.00 O ATOM 958 CB MET A 65 -1.293 19.130 5.379 1.00 0.00 C ATOM 959 CG MET A 65 -1.596 20.373 6.199 1.00 0.00 C ATOM 960 SD MET A 65 -1.042 21.888 5.393 1.00 0.00 S ATOM 961 CE MET A 65 0.458 22.232 6.311 1.00 0.00 C ATOM 0 H MET A 65 -1.404 16.843 4.439 1.00 0.00 H new ATOM 0 HA MET A 65 -0.078 17.950 6.704 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.411 19.315 4.766 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.122 18.944 4.696 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.670 20.433 6.378 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.115 20.287 7.173 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.291 23.080 6.976 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.733 21.357 6.900 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.264 22.469 5.616 1.00 0.00 H new ATOM 971 N HIS A 66 -1.693 17.385 8.518 1.00 0.00 N ATOM 972 CA HIS A 66 -2.607 17.254 9.647 1.00 0.00 C ATOM 973 C HIS A 66 -2.355 18.349 10.680 1.00 0.00 C ATOM 974 O HIS A 66 -1.240 18.500 11.179 1.00 0.00 O ATOM 975 CB HIS A 66 -2.453 15.879 10.298 1.00 0.00 C ATOM 976 CG HIS A 66 -3.687 15.409 11.004 1.00 0.00 C ATOM 977 ND1 HIS A 66 -3.690 14.995 12.319 1.00 0.00 N ATOM 978 CD2 HIS A 66 -4.964 15.291 10.570 1.00 0.00 C ATOM 979 CE1 HIS A 66 -4.915 14.640 12.663 1.00 0.00 C ATOM 980 NE2 HIS A 66 -5.708 14.812 11.621 1.00 0.00 N ATOM 0 H HIS A 66 -0.724 17.146 8.730 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.625 17.359 9.272 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.183 15.152 9.532 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.628 15.913 11.010 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.330 15.529 9.582 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.217 14.271 13.632 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.710 14.620 11.600 1.00 0.00 H new ATOM 989 N ASN A 67 -3.397 19.111 10.994 1.00 0.00 N ATOM 990 CA ASN A 67 -3.288 20.194 11.965 1.00 0.00 C ATOM 991 C ASN A 67 -2.189 21.174 11.566 1.00 0.00 C ATOM 992 O ASN A 67 -1.584 21.825 12.417 1.00 0.00 O ATOM 993 CB ASN A 67 -3.003 19.630 13.358 1.00 0.00 C ATOM 994 CG ASN A 67 -4.221 18.971 13.976 1.00 0.00 C ATOM 995 OD1 ASN A 67 -5.352 19.214 13.555 1.00 0.00 O ATOM 996 ND2 ASN A 67 -3.994 18.132 14.980 1.00 0.00 N ATOM 0 H ASN A 67 -4.327 18.999 10.590 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.237 20.729 11.984 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.193 18.903 13.294 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.659 20.434 14.009 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.774 17.659 15.435 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.039 17.961 15.296 1.00 0.00 H new ATOM 1003 N GLY A 68 -1.937 21.275 10.264 1.00 0.00 N ATOM 1004 CA GLY A 68 -0.912 22.177 9.775 1.00 0.00 C ATOM 1005 C GLY A 68 0.488 21.694 10.097 1.00 0.00 C ATOM 1006 O GLY A 68 1.446 22.467 10.051 1.00 0.00 O ATOM 0 H GLY A 68 -2.425 20.748 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.015 22.288 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.062 23.164 10.213 1.00 0.00 H new ATOM 1010 N THR A 69 0.609 20.413 10.427 1.00 0.00 N ATOM 1011 CA THR A 69 1.902 19.828 10.761 1.00 0.00 C ATOM 1012 C THR A 69 2.180 18.590 9.917 1.00 0.00 C ATOM 1013 O THR A 69 1.268 18.008 9.330 1.00 0.00 O ATOM 1014 CB THR A 69 1.977 19.446 12.253 1.00 0.00 C ATOM 1015 OG1 THR A 69 3.315 19.069 12.594 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.026 18.301 12.565 1.00 0.00 C ATOM 0 H THR A 69 -0.173 19.760 10.470 1.00 0.00 H new ATOM 0 HA THR A 69 2.656 20.586 10.549 1.00 0.00 H new ATOM 0 HB THR A 69 1.683 20.313 12.844 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.355 18.829 13.543 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.096 18.048 13.623 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.005 18.602 12.330 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.295 17.431 11.966 1.00 0.00 H new ATOM 1024 N HIS A 70 3.448 18.191 9.860 1.00 0.00 N ATOM 1025 CA HIS A 70 3.846 17.021 9.087 1.00 0.00 C ATOM 1026 C HIS A 70 3.987 15.797 9.988 1.00 0.00 C ATOM 1027 O HIS A 70 4.812 15.778 10.902 1.00 0.00 O ATOM 1028 CB HIS A 70 5.165 17.287 8.360 1.00 0.00 C ATOM 1029 CG HIS A 70 6.165 18.033 9.188 1.00 0.00 C ATOM 1030 ND1 HIS A 70 6.328 19.401 9.120 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.056 17.594 10.108 1.00 0.00 C ATOM 1032 CE1 HIS A 70 7.278 19.770 9.962 1.00 0.00 C ATOM 1033 NE2 HIS A 70 7.736 18.693 10.573 1.00 0.00 N ATOM 0 H HIS A 70 4.216 18.661 10.340 1.00 0.00 H new ATOM 0 HA HIS A 70 3.068 16.822 8.350 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.598 16.336 8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.962 17.854 7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.204 16.570 10.418 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.621 20.781 10.123 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.475 18.679 11.276 1.00 0.00 H new ATOM 1042 N VAL A 71 3.177 14.777 9.725 1.00 0.00 N ATOM 1043 CA VAL A 71 3.213 13.550 10.511 1.00 0.00 C ATOM 1044 C VAL A 71 2.835 12.342 9.661 1.00 0.00 C ATOM 1045 O VAL A 71 1.990 12.435 8.771 1.00 0.00 O ATOM 1046 CB VAL A 71 2.261 13.631 11.720 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.846 13.954 11.266 1.00 0.00 C ATOM 1048 CG2 VAL A 71 2.292 12.331 12.510 1.00 0.00 C ATOM 0 H VAL A 71 2.488 14.776 8.973 1.00 0.00 H new ATOM 0 HA VAL A 71 4.236 13.433 10.870 1.00 0.00 H new ATOM 0 HB VAL A 71 2.600 14.435 12.373 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.189 14.007 12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.840 14.913 10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.494 13.174 10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.614 12.406 13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.980 11.508 11.868 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.305 12.147 12.869 1.00 0.00 H new ATOM 1058 N VAL A 72 3.467 11.207 9.942 1.00 0.00 N ATOM 1059 CA VAL A 72 3.198 9.978 9.205 1.00 0.00 C ATOM 1060 C VAL A 72 2.432 8.978 10.064 1.00 0.00 C ATOM 1061 O VAL A 72 2.903 8.567 11.125 1.00 0.00 O ATOM 1062 CB VAL A 72 4.501 9.322 8.711 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.225 7.929 8.167 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.170 10.192 7.658 1.00 0.00 C ATOM 0 H VAL A 72 4.170 11.113 10.675 1.00 0.00 H new ATOM 0 HA VAL A 72 2.590 10.253 8.343 1.00 0.00 H new ATOM 0 HB VAL A 72 5.182 9.227 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.157 7.481 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.794 7.310 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.525 7.996 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.089 9.713 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.496 10.321 6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.405 11.166 8.087 1.00 0.00 H new ATOM 1074 N ARG A 73 1.249 8.592 9.599 1.00 0.00 N ATOM 1075 CA ARG A 73 0.417 7.640 10.326 1.00 0.00 C ATOM 1076 C ARG A 73 0.663 6.216 9.834 1.00 0.00 C ATOM 1077 O ARG A 73 1.249 6.008 8.771 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.061 7.997 10.166 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.582 8.935 11.244 1.00 0.00 C ATOM 1080 CD ARG A 73 -1.921 8.181 12.521 1.00 0.00 C ATOM 1081 NE ARG A 73 -0.762 8.038 13.397 1.00 0.00 N ATOM 1082 CZ ARG A 73 -0.190 9.056 14.032 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -0.669 10.284 13.888 1.00 0.00 N ATOM 1084 NH2 ARG A 73 0.863 8.845 14.812 1.00 0.00 N ATOM 0 H ARG A 73 0.845 8.923 8.723 1.00 0.00 H new ATOM 0 HA ARG A 73 0.685 7.693 11.381 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.211 8.460 9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.651 7.080 10.178 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.833 9.697 11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.469 9.453 10.880 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.714 8.707 13.052 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.307 7.194 12.267 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.370 7.106 13.529 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.478 10.449 13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.229 11.064 14.376 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.234 7.901 14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.302 9.627 15.299 1.00 0.00 H new ATOM 1098 N HIS A 74 0.211 5.240 10.615 1.00 0.00 N ATOM 1099 CA HIS A 74 0.382 3.836 10.259 1.00 0.00 C ATOM 1100 C HIS A 74 -0.815 3.009 10.718 1.00 0.00 C ATOM 1101 O HIS A 74 -1.466 3.339 11.710 1.00 0.00 O ATOM 1102 CB HIS A 74 1.666 3.283 10.880 1.00 0.00 C ATOM 1103 CG HIS A 74 1.704 3.392 12.373 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.445 4.439 13.191 1.00 0.00 N flip ATOM 1105 CD2 HIS A 74 2.042 2.339 13.197 1.00 0.00 C flip ATOM 1106 CE1 HIS A 74 1.629 4.004 14.481 1.00 0.00 C flip ATOM 1107 NE2 HIS A 74 1.989 2.733 14.457 1.00 0.00 N flip ATOM 0 H HIS A 74 -0.276 5.395 11.498 1.00 0.00 H new ATOM 0 HA HIS A 74 0.453 3.769 9.173 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.775 2.236 10.597 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.520 3.816 10.463 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.309 1.347 12.864 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.500 4.603 15.370 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.192 2.154 15.272 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.101 1.936 9.988 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.223 1.065 10.319 1.00 0.00 C ATOM 1118 C TYR A 75 -1.824 -0.403 10.205 1.00 0.00 C ATOM 1119 O TYR A 75 -0.873 -0.749 9.503 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.409 1.355 9.397 1.00 0.00 C ATOM 1121 CG TYR A 75 -3.910 2.778 9.485 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.206 3.822 8.895 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.088 3.081 10.157 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -3.660 5.124 8.974 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -5.550 4.380 10.239 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.833 5.398 9.647 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.289 6.694 9.726 1.00 0.00 O ATOM 0 H TYR A 75 -0.572 1.649 9.164 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.515 1.265 11.350 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.118 1.144 8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.225 0.676 9.644 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.288 3.611 8.366 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.652 2.287 10.623 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.100 5.923 8.512 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.468 4.597 10.764 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.128 6.715 10.233 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.558 -1.264 10.901 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.284 -2.697 10.880 1.00 0.00 C ATOM 1139 C LYS A 76 -3.544 -3.486 10.534 1.00 0.00 C ATOM 1140 O LYS A 76 -4.638 -3.159 10.991 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.740 -3.153 12.235 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.534 -4.655 12.332 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.194 -5.073 11.752 1.00 0.00 C ATOM 1144 CE LYS A 76 0.906 -5.030 12.801 1.00 0.00 C ATOM 1145 NZ LYS A 76 1.525 -3.679 12.901 1.00 0.00 N ATOM 0 H LYS A 76 -3.348 -0.995 11.487 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.534 -2.888 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.791 -2.651 12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.429 -2.838 13.019 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.592 -4.964 13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.337 -5.168 11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.271 -6.081 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.066 -4.414 10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.495 -5.314 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.673 -5.763 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.560 -3.773 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.260 -3.113 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.188 -3.206 13.764 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.379 -4.527 9.723 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.502 -5.364 9.319 1.00 0.00 C ATOM 1161 C VAL A 77 -4.357 -6.780 9.866 1.00 0.00 C ATOM 1162 O VAL A 77 -3.279 -7.372 9.811 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.629 -5.429 7.785 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.810 -6.300 7.383 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.765 -4.031 7.202 1.00 0.00 C ATOM 0 H VAL A 77 -2.480 -4.810 9.334 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.402 -4.908 9.732 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.722 -5.879 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.884 -6.334 6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.666 -7.309 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.728 -5.882 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.854 -4.096 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.654 -3.551 7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.885 -3.442 7.459 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.452 -7.318 10.395 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.449 -8.665 10.952 1.00 0.00 C ATOM 1177 C LYS A 78 -5.748 -9.702 9.873 1.00 0.00 C ATOM 1178 O LYS A 78 -6.462 -9.419 8.910 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.478 -8.776 12.079 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.739 -10.204 12.526 1.00 0.00 C ATOM 1181 CD LYS A 78 -5.618 -10.726 13.409 1.00 0.00 C ATOM 1182 CE LYS A 78 -6.115 -11.796 14.368 1.00 0.00 C ATOM 1183 NZ LYS A 78 -5.065 -12.197 15.345 1.00 0.00 N ATOM 0 H LYS A 78 -6.352 -6.841 10.449 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.455 -8.861 11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.133 -8.194 12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.416 -8.331 11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.683 -10.249 13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.844 -10.846 11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.823 -11.136 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.186 -9.901 13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.988 -11.425 14.905 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.437 -12.670 13.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.443 -12.928 15.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.242 -12.575 14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.776 -11.369 15.903 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.201 -10.900 10.041 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.411 -11.977 9.081 1.00 0.00 C ATOM 1199 C ARG A 79 -6.199 -13.122 9.712 1.00 0.00 C ATOM 1200 O ARG A 79 -5.675 -13.869 10.536 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.067 -12.495 8.562 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.200 -13.597 7.523 1.00 0.00 C ATOM 1203 CD ARG A 79 -4.481 -13.028 6.141 1.00 0.00 C ATOM 1204 NE ARG A 79 -4.062 -13.939 5.079 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.758 -15.009 4.711 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -5.900 -15.301 5.316 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -4.310 -15.789 3.736 1.00 0.00 N ATOM 0 H ARG A 79 -4.609 -11.150 10.833 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.987 -11.578 8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.510 -11.664 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.482 -12.868 9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.283 -14.186 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.005 -14.274 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.547 -12.823 6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.962 -12.076 6.028 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.187 -13.743 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.247 -14.704 6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.432 -16.123 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.431 -15.567 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.845 -16.611 3.454 1.00 0.00 H new ATOM 1221 N GLU A 80 -7.462 -13.251 9.317 1.00 0.00 N ATOM 1222 CA GLU A 80 -8.323 -14.304 9.844 1.00 0.00 C ATOM 1223 C GLU A 80 -9.329 -14.763 8.793 1.00 0.00 C ATOM 1224 O GLU A 80 -10.196 -13.999 8.373 1.00 0.00 O ATOM 1225 CB GLU A 80 -9.061 -13.811 11.091 1.00 0.00 C ATOM 1226 CG GLU A 80 -10.075 -14.806 11.629 1.00 0.00 C ATOM 1227 CD GLU A 80 -9.456 -16.148 11.964 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -8.247 -16.184 12.277 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -10.180 -17.166 11.911 1.00 0.00 O ATOM 0 H GLU A 80 -7.911 -12.640 8.635 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.694 -15.152 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.332 -13.590 11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.570 -12.876 10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.544 -14.394 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.865 -14.949 10.891 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.203 -16.017 8.371 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.106 -16.558 7.371 1.00 0.00 C ATOM 1238 C GLY A 81 -9.939 -15.892 6.019 1.00 0.00 C ATOM 1239 O GLY A 81 -8.994 -15.139 5.787 1.00 0.00 O ATOM 0 H GLY A 81 -8.492 -16.668 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.931 -17.629 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.135 -16.434 7.709 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.873 -16.172 5.099 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.847 -15.607 3.747 1.00 0.00 C ATOM 1245 C PRO A 82 -11.145 -14.111 3.738 1.00 0.00 C ATOM 1246 O PRO A 82 -11.214 -13.487 2.678 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.951 -16.377 3.018 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.884 -16.812 4.095 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.029 -17.061 5.307 1.00 0.00 C ATOM 0 HA PRO A 82 -9.865 -15.704 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.457 -15.746 2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.546 -17.232 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.633 -16.046 4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.422 -17.714 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.559 -16.821 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.725 -18.105 5.376 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.323 -13.541 4.925 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.612 -12.118 5.055 1.00 0.00 C ATOM 1259 C LYS A 83 -10.593 -11.436 5.963 1.00 0.00 C ATOM 1260 O LYS A 83 -10.030 -12.063 6.860 1.00 0.00 O ATOM 1261 CB LYS A 83 -13.024 -11.913 5.610 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.281 -12.655 6.910 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.844 -11.838 8.114 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.507 -12.332 9.392 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.934 -11.916 9.473 1.00 0.00 N ATOM 0 H LYS A 83 -11.272 -14.043 5.811 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.548 -11.667 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.191 -10.848 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.749 -12.241 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.343 -12.888 6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.746 -13.605 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.761 -11.894 8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.095 -10.789 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.443 -13.419 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.966 -11.944 10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.133 -11.540 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.122 -11.180 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.546 -12.737 9.291 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.364 -10.149 5.725 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.413 -9.383 6.521 1.00 0.00 C ATOM 1281 C TYR A 84 -10.116 -8.265 7.284 1.00 0.00 C ATOM 1282 O TYR A 84 -10.729 -7.380 6.687 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.323 -8.795 5.624 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.934 -9.696 4.473 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.773 -11.063 4.661 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.726 -9.180 3.200 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -7.417 -11.890 3.612 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -7.371 -9.999 2.147 1.00 0.00 C ATOM 1289 CZ TYR A 84 -7.218 -11.354 2.358 1.00 0.00 C ATOM 1290 OH TYR A 84 -6.863 -12.173 1.311 1.00 0.00 O ATOM 0 H TYR A 84 -10.824 -9.615 4.988 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.956 -10.059 7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.667 -7.840 5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.439 -8.589 6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.928 -11.486 5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.844 -8.120 3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.295 -12.951 3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.214 -9.581 1.163 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.763 -11.638 0.496 1.00 0.00 H new ATOM 1300 N VAL A 85 -10.024 -8.313 8.609 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.650 -7.304 9.456 1.00 0.00 C ATOM 1302 C VAL A 85 -9.666 -6.194 9.807 1.00 0.00 C ATOM 1303 O VAL A 85 -8.602 -6.449 10.372 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.194 -7.924 10.758 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -12.608 -8.442 10.551 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -10.275 -9.033 11.244 1.00 0.00 C ATOM 0 H VAL A 85 -9.522 -9.040 9.119 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.480 -6.883 8.888 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.226 -7.150 11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.976 -8.876 11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.257 -7.619 10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.606 -9.203 9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.674 -9.459 12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.209 -9.810 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.282 -8.626 11.434 1.00 0.00 H new ATOM 1316 N ILE A 86 -10.028 -4.961 9.469 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.178 -3.811 9.750 1.00 0.00 C ATOM 1318 C ILE A 86 -9.028 -3.591 11.251 1.00 0.00 C ATOM 1319 O ILE A 86 -10.018 -3.504 11.978 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.736 -2.528 9.107 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -10.102 -2.782 7.643 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.724 -1.397 9.217 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.584 -1.545 6.918 1.00 0.00 C ATOM 0 H ILE A 86 -10.905 -4.733 9.000 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.201 -4.028 9.318 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.639 -2.235 9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.231 -3.182 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.879 -3.546 7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.133 -0.497 8.758 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.508 -1.203 10.268 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.805 -1.680 8.704 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.825 -1.799 5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.474 -1.156 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.801 -0.787 6.931 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.786 -3.501 11.710 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.505 -3.288 13.126 1.00 0.00 C ATOM 1337 C ASP A 87 -7.947 -1.894 13.562 1.00 0.00 C ATOM 1338 O ASP A 87 -7.119 -1.007 13.772 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.014 -3.476 13.406 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.734 -3.776 14.866 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.303 -4.757 15.389 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -4.945 -3.031 15.484 1.00 0.00 O ATOM 0 H ASP A 87 -6.956 -3.572 11.122 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.068 -4.024 13.699 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.631 -4.290 12.791 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.475 -2.575 13.113 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.256 -1.709 13.698 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.808 -0.424 14.110 1.00 0.00 C ATOM 1349 C VAL A 88 -10.884 -0.604 15.175 1.00 0.00 C ATOM 1350 O VAL A 88 -11.149 -1.720 15.620 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.406 0.340 12.914 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.320 1.097 12.166 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.138 -0.617 11.985 1.00 0.00 C ATOM 0 H VAL A 88 -9.954 -2.433 13.529 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.984 0.156 14.525 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.126 1.066 13.291 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.762 1.630 11.324 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.845 1.811 12.839 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.574 0.393 11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.555 -0.061 11.145 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.441 -1.368 11.613 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.944 -1.109 12.530 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.500 0.503 15.578 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.548 0.466 16.591 1.00 0.00 C ATOM 1365 C GLU A 89 -13.455 -0.745 16.393 1.00 0.00 C ATOM 1366 O GLU A 89 -13.738 -1.482 17.336 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.377 1.751 16.546 1.00 0.00 C ATOM 1368 CG GLU A 89 -12.579 3.003 16.868 1.00 0.00 C ATOM 1369 CD GLU A 89 -12.241 3.116 18.343 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -11.911 2.079 18.956 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -12.307 4.239 18.883 1.00 0.00 O ATOM 0 H GLU A 89 -11.292 1.435 15.219 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.071 0.384 17.567 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.816 1.855 15.554 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.203 1.665 17.252 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.657 3.001 16.287 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.148 3.881 16.561 1.00 0.00 H new ATOM 1378 N GLN A 90 -13.908 -0.941 15.159 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.783 -2.062 14.836 1.00 0.00 C ATOM 1380 C GLN A 90 -14.158 -2.953 13.769 1.00 0.00 C ATOM 1381 O GLN A 90 -13.522 -2.480 12.827 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.144 -1.552 14.358 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.152 -1.362 15.481 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.545 -1.057 14.969 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.712 -0.402 13.940 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.557 -1.531 15.686 1.00 0.00 N ATOM 0 H GLN A 90 -13.684 -0.339 14.367 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.921 -2.654 15.741 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.006 -0.603 13.841 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.551 -2.255 13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.183 -2.264 16.093 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.821 -0.550 16.128 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.374 -2.069 16.533 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.517 -1.357 15.390 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.340 -4.273 13.918 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.801 -5.258 12.976 1.00 0.00 C ATOM 1397 C PRO A 91 -14.506 -5.214 11.625 1.00 0.00 C ATOM 1398 O PRO A 91 -15.489 -5.920 11.403 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.063 -6.596 13.672 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.222 -6.335 14.569 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.087 -4.906 15.018 1.00 0.00 C ATOM 0 HA PRO A 91 -12.749 -5.076 12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.290 -7.380 12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.191 -6.926 14.237 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.164 -6.491 14.044 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.216 -7.014 15.422 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.060 -4.437 15.165 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.551 -4.831 15.964 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.996 -4.381 10.723 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.579 -4.245 9.393 1.00 0.00 C ATOM 1411 C PHE A 92 -14.072 -5.343 8.463 1.00 0.00 C ATOM 1412 O PHE A 92 -12.947 -5.282 7.968 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.247 -2.871 8.806 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.623 -2.731 7.359 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.937 -2.485 6.992 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.664 -2.844 6.366 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -16.286 -2.356 5.661 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -14.008 -2.715 5.033 1.00 0.00 C ATOM 1419 CZ PHE A 92 -15.321 -2.472 4.680 1.00 0.00 C ATOM 0 H PHE A 92 -13.181 -3.791 10.889 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.661 -4.342 9.486 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.763 -2.104 9.383 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.178 -2.687 8.915 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.696 -2.393 7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.636 -3.035 6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.313 -2.165 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -13.251 -2.804 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.592 -2.373 3.639 1.00 0.00 H new ATOM 1429 N SER A 93 -14.912 -6.347 8.230 1.00 0.00 N ATOM 1430 CA SER A 93 -14.549 -7.462 7.364 1.00 0.00 C ATOM 1431 C SER A 93 -14.612 -7.053 5.895 1.00 0.00 C ATOM 1432 O SER A 93 -15.316 -6.108 5.533 1.00 0.00 O ATOM 1433 CB SER A 93 -15.475 -8.654 7.614 1.00 0.00 C ATOM 1434 OG SER A 93 -16.834 -8.285 7.451 1.00 0.00 O ATOM 0 H SER A 93 -15.849 -6.411 8.629 1.00 0.00 H new ATOM 0 HA SER A 93 -13.525 -7.752 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.229 -9.461 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.317 -9.037 8.622 1.00 0.00 H new ATOM 0 HG SER A 93 -17.406 -9.064 7.614 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.874 -7.768 5.055 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.846 -7.479 3.626 1.00 0.00 C ATOM 1442 C CYS A 94 -13.666 -8.760 2.816 1.00 0.00 C ATOM 1443 O CYS A 94 -13.620 -9.858 3.371 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.719 -6.497 3.305 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.070 -7.095 3.744 1.00 0.00 S ATOM 0 H CYS A 94 -13.287 -8.552 5.338 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.800 -7.028 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.740 -6.273 2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.906 -5.561 3.832 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.853 -6.882 5.008 1.00 0.00 H new ATOM 1451 N THR A 95 -13.568 -8.611 1.499 1.00 0.00 N ATOM 1452 CA THR A 95 -13.396 -9.755 0.611 1.00 0.00 C ATOM 1453 C THR A 95 -11.941 -9.908 0.186 1.00 0.00 C ATOM 1454 O THR A 95 -11.426 -11.023 0.092 1.00 0.00 O ATOM 1455 CB THR A 95 -14.276 -9.628 -0.647 1.00 0.00 C ATOM 1456 OG1 THR A 95 -14.067 -10.753 -1.507 1.00 0.00 O ATOM 1457 CG2 THR A 95 -13.961 -8.342 -1.398 1.00 0.00 C ATOM 0 H THR A 95 -13.605 -7.710 1.023 1.00 0.00 H new ATOM 0 HA THR A 95 -13.702 -10.638 1.172 1.00 0.00 H new ATOM 0 HB THR A 95 -15.320 -9.601 -0.334 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.631 -10.665 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.594 -8.273 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.149 -7.486 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.914 -8.344 -1.700 1.00 0.00 H new ATOM 1465 N SER A 96 -11.281 -8.782 -0.067 1.00 0.00 N ATOM 1466 CA SER A 96 -9.884 -8.792 -0.485 1.00 0.00 C ATOM 1467 C SER A 96 -9.153 -7.558 0.034 1.00 0.00 C ATOM 1468 O SER A 96 -9.716 -6.758 0.782 1.00 0.00 O ATOM 1469 CB SER A 96 -9.787 -8.853 -2.010 1.00 0.00 C ATOM 1470 OG SER A 96 -8.435 -8.843 -2.436 1.00 0.00 O ATOM 0 H SER A 96 -11.691 -7.851 0.010 1.00 0.00 H new ATOM 0 HA SER A 96 -9.410 -9.678 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.279 -9.755 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.315 -8.005 -2.445 1.00 0.00 H new ATOM 0 HG SER A 96 -8.328 -8.202 -3.169 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.896 -7.410 -0.369 1.00 0.00 N ATOM 1477 CA LEU A 97 -7.085 -6.273 0.055 1.00 0.00 C ATOM 1478 C LEU A 97 -7.566 -4.986 -0.606 1.00 0.00 C ATOM 1479 O LEU A 97 -7.589 -3.926 0.021 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.614 -6.516 -0.285 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.787 -7.232 0.784 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.464 -7.708 0.206 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.552 -6.317 1.977 1.00 0.00 C ATOM 0 H LEU A 97 -7.416 -8.063 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.189 -6.166 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.566 -7.100 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.146 -5.554 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.345 -8.104 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.890 -8.215 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.653 -8.399 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.899 -6.852 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.962 -6.842 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.015 -5.426 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.511 -6.026 2.407 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.951 -5.085 -1.873 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.435 -3.928 -2.619 1.00 0.00 C ATOM 1497 C ASP A 98 -9.553 -3.222 -1.859 1.00 0.00 C ATOM 1498 O ASP A 98 -9.494 -2.014 -1.632 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.931 -4.357 -4.000 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.539 -5.746 -3.992 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -10.570 -5.939 -3.314 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -8.984 -6.640 -4.665 1.00 0.00 O ATOM 0 H ASP A 98 -7.938 -5.955 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.606 -3.231 -2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.672 -3.641 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.100 -4.331 -4.705 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.570 -3.983 -1.471 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.701 -3.430 -0.736 1.00 0.00 C ATOM 1509 C ALA A 99 -11.230 -2.590 0.447 1.00 0.00 C ATOM 1510 O ALA A 99 -11.717 -1.482 0.667 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.619 -4.546 -0.262 1.00 0.00 C ATOM 0 H ALA A 99 -10.634 -4.985 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.257 -2.779 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.459 -4.118 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.992 -5.101 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.065 -5.220 0.392 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.279 -3.127 1.205 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.742 -2.427 2.366 1.00 0.00 C ATOM 1519 C VAL A 100 -9.424 -0.974 2.033 1.00 0.00 C ATOM 1520 O VAL A 100 -9.882 -0.055 2.713 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.468 -3.112 2.894 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.898 -2.343 4.076 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.758 -4.555 3.277 1.00 0.00 C ATOM 0 H VAL A 100 -9.865 -4.044 1.036 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.510 -2.460 3.139 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.722 -3.114 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.998 -2.842 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.650 -1.328 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.637 -2.306 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.846 -5.023 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.521 -4.579 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.115 -5.099 2.402 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.637 -0.771 0.982 1.00 0.00 N ATOM 1534 CA VAL A 101 -8.258 0.571 0.556 1.00 0.00 C ATOM 1535 C VAL A 101 -9.479 1.477 0.448 1.00 0.00 C ATOM 1536 O VAL A 101 -9.467 2.611 0.926 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.529 0.545 -0.800 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -7.227 1.959 -1.272 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -6.252 -0.277 -0.703 1.00 0.00 C ATOM 0 H VAL A 101 -8.249 -1.520 0.409 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.582 0.965 1.315 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.183 0.074 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.712 1.920 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.159 2.512 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.593 2.459 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.750 -0.285 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.592 0.163 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.498 -1.299 -0.414 1.00 0.00 H new ATOM 1549 N ASN A 102 -10.532 0.969 -0.184 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.762 1.734 -0.355 1.00 0.00 C ATOM 1551 C ASN A 102 -12.319 2.179 0.994 1.00 0.00 C ATOM 1552 O ASN A 102 -12.864 3.275 1.121 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.806 0.899 -1.100 1.00 0.00 C ATOM 1554 CG ASN A 102 -12.680 1.025 -2.605 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -13.354 1.846 -3.229 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.816 0.209 -3.197 1.00 0.00 N ATOM 0 H ASN A 102 -10.558 0.032 -0.586 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.529 2.622 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.700 -0.148 -0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.804 1.213 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.690 0.247 -4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.279 -0.456 -2.640 1.00 0.00 H new ATOM 1563 N TYR A 103 -12.175 1.322 1.999 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.664 1.626 3.338 1.00 0.00 C ATOM 1565 C TYR A 103 -11.918 2.815 3.934 1.00 0.00 C ATOM 1566 O TYR A 103 -12.475 3.584 4.719 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.512 0.407 4.249 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.879 0.677 5.690 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -11.946 1.195 6.580 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -14.160 0.416 6.162 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -12.277 1.443 7.898 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.500 0.663 7.478 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.555 1.175 8.342 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.889 1.422 9.654 1.00 0.00 O ATOM 0 H TYR A 103 -11.724 0.412 1.911 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.720 1.884 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.138 -0.400 3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.480 0.058 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.945 1.407 6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.902 0.013 5.489 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.539 1.844 8.577 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.500 0.456 7.828 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.827 1.180 9.804 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.652 2.962 3.555 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.829 4.058 4.051 1.00 0.00 C ATOM 1586 C PHE A 104 -10.089 5.337 3.261 1.00 0.00 C ATOM 1587 O PHE A 104 -10.272 6.410 3.836 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.346 3.687 3.967 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.845 2.946 5.172 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.140 3.393 6.450 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.076 1.801 5.029 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.680 2.713 7.562 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.613 1.117 6.137 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.915 1.574 7.405 1.00 0.00 C ATOM 0 H PHE A 104 -10.175 2.336 2.906 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.096 4.236 5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.182 3.075 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.759 4.596 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.737 4.284 6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.836 1.439 4.040 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.919 3.072 8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.016 0.226 6.012 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.553 1.041 8.272 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.105 5.215 1.937 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.344 6.359 1.066 1.00 0.00 C ATOM 1606 C VAL A 105 -11.516 7.195 1.568 1.00 0.00 C ATOM 1607 O VAL A 105 -11.586 8.398 1.316 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.628 5.913 -0.381 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.276 7.042 -1.170 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.347 5.448 -1.055 1.00 0.00 C ATOM 0 H VAL A 105 -9.955 4.334 1.444 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.437 6.964 1.080 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.323 5.074 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.469 6.709 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.216 7.324 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.607 7.902 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.566 5.136 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.627 6.266 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.929 4.608 -0.501 1.00 0.00 H new ATOM 1620 N SER A 106 -12.435 6.551 2.280 1.00 0.00 N ATOM 1621 CA SER A 106 -13.606 7.235 2.814 1.00 0.00 C ATOM 1622 C SER A 106 -13.270 7.946 4.122 1.00 0.00 C ATOM 1623 O SER A 106 -13.245 9.175 4.184 1.00 0.00 O ATOM 1624 CB SER A 106 -14.745 6.239 3.041 1.00 0.00 C ATOM 1625 OG SER A 106 -15.862 6.869 3.644 1.00 0.00 O ATOM 0 H SER A 106 -12.391 5.556 2.500 1.00 0.00 H new ATOM 0 HA SER A 106 -13.924 7.981 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.042 5.799 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.398 5.423 3.675 1.00 0.00 H new ATOM 0 HG SER A 106 -16.576 6.211 3.777 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.013 7.163 5.165 1.00 0.00 N ATOM 1632 CA HIS A 107 -12.677 7.718 6.472 1.00 0.00 C ATOM 1633 C HIS A 107 -11.684 8.867 6.336 1.00 0.00 C ATOM 1634 O HIS A 107 -11.915 9.966 6.843 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.096 6.630 7.376 1.00 0.00 C ATOM 1636 CG HIS A 107 -11.257 7.166 8.494 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -11.792 7.709 9.643 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -9.912 7.241 8.636 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -10.813 8.095 10.443 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -9.662 7.821 9.855 1.00 0.00 N ATOM 0 H HIS A 107 -13.031 6.144 5.131 1.00 0.00 H new ATOM 0 HA HIS A 107 -13.592 8.104 6.922 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.913 6.043 7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.493 5.952 6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.173 6.907 7.923 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.934 8.556 11.412 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.738 8.010 10.244 1.00 0.00 H new ATOM 1649 N THR A 108 -10.576 8.608 5.647 1.00 0.00 N ATOM 1650 CA THR A 108 -9.547 9.620 5.446 1.00 0.00 C ATOM 1651 C THR A 108 -10.112 10.845 4.736 1.00 0.00 C ATOM 1652 O THR A 108 -11.308 10.917 4.455 1.00 0.00 O ATOM 1653 CB THR A 108 -8.366 9.065 4.627 1.00 0.00 C ATOM 1654 OG1 THR A 108 -8.814 8.672 3.325 1.00 0.00 O ATOM 1655 CG2 THR A 108 -7.731 7.875 5.331 1.00 0.00 C ATOM 0 H THR A 108 -10.369 7.706 5.219 1.00 0.00 H new ATOM 0 HA THR A 108 -9.190 9.909 6.435 1.00 0.00 H new ATOM 0 HB THR A 108 -7.618 9.852 4.531 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.243 7.793 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.900 7.500 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.364 8.184 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.473 7.087 5.454 1.00 0.00 H new ATOM 1663 N LYS A 109 -9.243 11.809 4.447 1.00 0.00 N ATOM 1664 CA LYS A 109 -9.654 13.032 3.767 1.00 0.00 C ATOM 1665 C LYS A 109 -10.653 12.727 2.656 1.00 0.00 C ATOM 1666 O LYS A 109 -10.640 11.641 2.074 1.00 0.00 O ATOM 1667 CB LYS A 109 -8.435 13.752 3.187 1.00 0.00 C ATOM 1668 CG LYS A 109 -8.617 15.255 3.065 1.00 0.00 C ATOM 1669 CD LYS A 109 -9.140 15.642 1.692 1.00 0.00 C ATOM 1670 CE LYS A 109 -9.608 17.090 1.662 1.00 0.00 C ATOM 1671 NZ LYS A 109 -10.184 17.513 2.969 1.00 0.00 N ATOM 0 H LYS A 109 -8.249 11.766 4.673 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.137 13.680 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.570 13.549 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.215 13.340 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.310 15.602 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.665 15.754 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -8.356 15.496 0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.966 14.986 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.769 17.738 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.355 17.214 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.686 18.416 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.849 16.788 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.419 17.631 3.664 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.520 13.691 2.365 1.00 0.00 N ATOM 1686 CA LYS A 110 -12.525 13.528 1.321 1.00 0.00 C ATOM 1687 C LYS A 110 -11.996 12.655 0.187 1.00 0.00 C ATOM 1688 O LYS A 110 -12.743 11.887 -0.418 1.00 0.00 O ATOM 1689 CB LYS A 110 -12.948 14.892 0.774 1.00 0.00 C ATOM 1690 CG LYS A 110 -14.165 14.833 -0.134 1.00 0.00 C ATOM 1691 CD LYS A 110 -14.898 16.163 -0.171 1.00 0.00 C ATOM 1692 CE LYS A 110 -15.754 16.362 1.071 1.00 0.00 C ATOM 1693 NZ LYS A 110 -16.937 17.224 0.797 1.00 0.00 N ATOM 0 H LYS A 110 -11.547 14.594 2.838 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.392 13.035 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.161 15.559 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.115 15.327 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -13.855 14.559 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.842 14.053 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.176 16.976 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.528 16.208 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.089 15.393 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.151 16.813 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.495 17.335 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.618 18.158 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.526 16.782 0.063 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.702 12.779 -0.093 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.073 11.998 -1.152 1.00 0.00 C ATOM 1709 C ALA A 111 -8.581 11.819 -0.890 1.00 0.00 C ATOM 1710 O ALA A 111 -7.869 12.785 -0.613 1.00 0.00 O ATOM 1711 CB ALA A 111 -10.297 12.663 -2.502 1.00 0.00 C ATOM 0 H ALA A 111 -10.070 13.412 0.398 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.534 11.011 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.822 12.069 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.367 12.734 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.863 13.663 -2.492 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.115 10.579 -0.977 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.706 10.273 -0.748 1.00 0.00 C ATOM 1719 C LEU A 112 -6.076 9.648 -1.989 1.00 0.00 C ATOM 1720 O LEU A 112 -6.653 8.752 -2.605 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.557 9.329 0.446 1.00 0.00 C ATOM 1722 CG LEU A 112 -5.234 9.416 1.209 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.085 10.781 1.864 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.145 8.310 2.250 1.00 0.00 C ATOM 0 H LEU A 112 -8.691 9.768 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.187 11.207 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.370 9.528 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.683 8.306 0.093 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.417 9.285 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.138 10.825 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.103 11.556 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.907 10.941 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.197 8.387 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.968 8.409 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.205 7.340 1.756 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.888 10.124 -2.347 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.178 9.609 -3.511 1.00 0.00 C ATOM 1738 C VAL A 113 -3.354 8.379 -3.152 1.00 0.00 C ATOM 1739 O VAL A 113 -2.514 8.404 -2.253 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.248 10.677 -4.119 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -2.410 10.080 -5.240 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.057 11.863 -4.621 1.00 0.00 C ATOM 0 H VAL A 113 -4.397 10.866 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.934 9.334 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.571 11.031 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.760 10.849 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.802 9.265 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.067 9.697 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.385 12.608 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.758 11.528 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.608 12.305 -3.791 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.597 7.273 -3.872 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.886 6.010 -3.648 1.00 0.00 C ATOM 1754 C PRO A 114 -1.425 6.085 -4.074 1.00 0.00 C ATOM 1755 O PRO A 114 -1.037 6.959 -4.850 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.649 5.014 -4.525 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.265 5.846 -5.596 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.584 7.171 -4.960 1.00 0.00 C ATOM 0 HA PRO A 114 -2.860 5.737 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.980 4.262 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.408 4.482 -3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.581 5.971 -6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.166 5.374 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.485 7.992 -5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.605 7.199 -4.580 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.616 5.162 -3.564 1.00 0.00 N ATOM 1767 CA PHE A 115 0.804 5.123 -3.892 1.00 0.00 C ATOM 1768 C PHE A 115 1.124 3.931 -4.788 1.00 0.00 C ATOM 1769 O PHE A 115 0.893 2.779 -4.415 1.00 0.00 O ATOM 1770 CB PHE A 115 1.642 5.054 -2.614 1.00 0.00 C ATOM 1771 CG PHE A 115 3.095 5.372 -2.831 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.929 4.464 -3.464 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.624 6.579 -2.405 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.265 4.755 -3.664 1.00 0.00 C ATOM 1775 CE2 PHE A 115 4.960 6.875 -2.603 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.781 5.961 -3.234 1.00 0.00 C ATOM 0 H PHE A 115 -0.920 4.431 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 115 1.051 6.037 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.232 5.750 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.557 4.055 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.531 3.520 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.986 7.297 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.906 4.039 -4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.361 7.819 -2.265 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.825 6.189 -3.391 1.00 0.00 H new ATOM 1786 N LEU A 116 1.654 4.213 -5.972 1.00 0.00 N ATOM 1787 CA LEU A 116 2.004 3.165 -6.925 1.00 0.00 C ATOM 1788 C LEU A 116 3.356 3.448 -7.573 1.00 0.00 C ATOM 1789 O LEU A 116 3.606 4.554 -8.053 1.00 0.00 O ATOM 1790 CB LEU A 116 0.925 3.044 -8.001 1.00 0.00 C ATOM 1791 CG LEU A 116 1.265 2.152 -9.196 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.675 0.765 -8.726 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.083 2.066 -10.151 1.00 0.00 C ATOM 0 H LEU A 116 1.851 5.160 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 116 2.072 2.223 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.017 2.662 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.697 4.043 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 116 2.105 2.596 -9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.913 0.144 -9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.551 0.843 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.855 0.312 -8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.343 1.427 -10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.777 1.646 -9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.165 3.064 -10.514 1.00 0.00 H new ATOM 1805 N LEU A 117 4.222 2.441 -7.586 1.00 0.00 N ATOM 1806 CA LEU A 117 5.548 2.581 -8.178 1.00 0.00 C ATOM 1807 C LEU A 117 5.758 1.558 -9.289 1.00 0.00 C ATOM 1808 O LEU A 117 6.013 0.383 -9.025 1.00 0.00 O ATOM 1809 CB LEU A 117 6.627 2.415 -7.107 1.00 0.00 C ATOM 1810 CG LEU A 117 7.953 3.127 -7.373 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.621 3.520 -6.064 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.877 2.244 -8.200 1.00 0.00 C ATOM 0 H LEU A 117 4.030 1.519 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 117 5.623 3.580 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.228 2.776 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.828 1.351 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 117 7.747 4.035 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.564 4.026 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.966 4.190 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.813 2.626 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.816 2.767 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.075 1.318 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.402 2.013 -9.154 1.00 0.00 H new ATOM 1824 N ASP A 118 5.652 2.012 -10.533 1.00 0.00 N ATOM 1825 CA ASP A 118 5.834 1.138 -11.686 1.00 0.00 C ATOM 1826 C ASP A 118 7.241 0.551 -11.706 1.00 0.00 C ATOM 1827 O ASP A 118 8.162 1.140 -12.271 1.00 0.00 O ATOM 1828 CB ASP A 118 5.569 1.905 -12.982 1.00 0.00 C ATOM 1829 CG ASP A 118 5.938 1.104 -14.215 1.00 0.00 C ATOM 1830 OD1 ASP A 118 5.294 0.063 -14.460 1.00 0.00 O ATOM 1831 OD2 ASP A 118 6.870 1.519 -14.935 1.00 0.00 O ATOM 0 H ASP A 118 5.441 2.982 -10.769 1.00 0.00 H new ATOM 0 HA ASP A 118 5.119 0.319 -11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.514 2.176 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.137 2.835 -12.973 1.00 0.00 H new