USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 78 THR OG1 : rot 150:sc= 1.14 USER MOD Set 1.2: A 81 GLN : amide:sc= 1.06 K(o=2.2,f=1.3) USER MOD Set 2.1: A 35 SER OG : rot -131:sc= 0.032 USER MOD Set 2.2: A 47 SER OG : rot 179:sc= 0.0313 USER MOD Single : A 22 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-5.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= 0.566 (180deg=-3.11!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -10.4! C(o=-10!,f=-9.6!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00222 X(o=-0.0022,f=0) USER MOD Single : A 70 ASN : amide:sc= -3.04 K(o=-3,f=-6.4!) USER MOD Single : A 73 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.4!) USER MOD Single : A 88 GLN : amide:sc= -0.707 K(o=-0.71,f=-3!) USER MOD Single : A 89 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.67) USER MOD Single : A 90 CYS SG : rot 34:sc= 0.091 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -2.420 -9.292 -1.551 1.00 0.00 N ATOM 230 CA VAL A 17 -1.825 -8.076 -1.023 1.00 0.00 C ATOM 231 C VAL A 17 -2.821 -7.393 -0.083 1.00 0.00 C ATOM 232 O VAL A 17 -4.030 -7.460 -0.300 1.00 0.00 O ATOM 233 CB VAL A 17 -1.372 -7.174 -2.172 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.573 -6.592 -2.919 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.450 -6.062 -1.665 1.00 0.00 C ATOM 0 HA VAL A 17 -0.934 -8.308 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.805 -7.785 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.223 -5.955 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.175 -7.403 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.179 -6.003 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.142 -5.435 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.981 -5.455 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.431 -6.504 -1.199 1.00 0.00 H new ATOM 245 N GLU A 18 -2.276 -6.753 0.940 1.00 0.00 N ATOM 246 CA GLU A 18 -3.101 -6.058 1.914 1.00 0.00 C ATOM 247 C GLU A 18 -4.230 -5.302 1.210 1.00 0.00 C ATOM 248 O GLU A 18 -3.989 -4.289 0.555 1.00 0.00 O ATOM 249 CB GLU A 18 -2.258 -5.111 2.771 1.00 0.00 C ATOM 250 CG GLU A 18 -1.022 -5.825 3.323 1.00 0.00 C ATOM 251 CD GLU A 18 -0.958 -5.711 4.847 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.438 -4.676 5.318 1.00 0.00 O ATOM 253 OE2 GLU A 18 -1.431 -6.661 5.507 1.00 0.00 O ATOM 0 H GLU A 18 -1.273 -6.701 1.116 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.545 -6.798 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.950 -4.252 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.860 -4.728 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.045 -6.876 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.122 -5.394 2.884 1.00 0.00 H new ATOM 260 N GLU A 19 -5.437 -5.824 1.368 1.00 0.00 N ATOM 261 CA GLU A 19 -6.604 -5.211 0.756 1.00 0.00 C ATOM 262 C GLU A 19 -6.526 -3.688 0.873 1.00 0.00 C ATOM 263 O GLU A 19 -5.810 -3.163 1.724 1.00 0.00 O ATOM 264 CB GLU A 19 -7.895 -5.744 1.381 1.00 0.00 C ATOM 265 CG GLU A 19 -8.424 -6.950 0.601 1.00 0.00 C ATOM 266 CD GLU A 19 -9.952 -6.936 0.541 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.489 -5.962 -0.029 1.00 0.00 O ATOM 268 OE2 GLU A 19 -10.550 -7.900 1.068 1.00 0.00 O ATOM 0 H GLU A 19 -5.633 -6.665 1.911 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.616 -5.474 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.711 -6.028 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.649 -4.957 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.017 -6.941 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.083 -7.871 1.074 1.00 0.00 H new ATOM 275 N PRO A 20 -7.293 -3.003 -0.017 1.00 0.00 N ATOM 276 CA PRO A 20 -7.317 -1.550 -0.021 1.00 0.00 C ATOM 277 C PRO A 20 -8.139 -1.012 1.152 1.00 0.00 C ATOM 278 O PRO A 20 -9.080 -1.662 1.606 1.00 0.00 O ATOM 279 CB PRO A 20 -7.896 -1.170 -1.374 1.00 0.00 C ATOM 280 CG PRO A 20 -8.603 -2.414 -1.889 1.00 0.00 C ATOM 281 CD PRO A 20 -8.153 -3.591 -1.039 1.00 0.00 C ATOM 0 HA PRO A 20 -6.327 -1.113 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.591 -0.336 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.110 -0.855 -2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.684 -2.291 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.359 -2.585 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.004 -4.105 -0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.613 -4.327 -1.635 1.00 0.00 H new ATOM 289 N ARG A 21 -7.752 0.169 1.611 1.00 0.00 N ATOM 290 CA ARG A 21 -8.441 0.802 2.723 1.00 0.00 C ATOM 291 C ARG A 21 -8.872 2.220 2.343 1.00 0.00 C ATOM 292 O ARG A 21 -8.375 2.784 1.369 1.00 0.00 O ATOM 293 CB ARG A 21 -7.545 0.863 3.962 1.00 0.00 C ATOM 294 CG ARG A 21 -6.416 1.878 3.774 1.00 0.00 C ATOM 295 CD ARG A 21 -5.057 1.251 4.088 1.00 0.00 C ATOM 296 NE ARG A 21 -4.834 0.068 3.227 1.00 0.00 N ATOM 297 CZ ARG A 21 -3.972 -0.917 3.513 1.00 0.00 C ATOM 298 NH1 ARG A 21 -3.247 -0.868 4.639 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.834 -1.952 2.673 1.00 0.00 N ATOM 0 H ARG A 21 -6.970 0.704 1.233 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.321 0.201 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.141 1.134 4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.123 -0.123 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.422 2.248 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.583 2.737 4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.264 1.982 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.015 0.960 5.138 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.370 -0.002 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.351 -0.081 5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.591 -1.618 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.385 -1.990 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.178 -2.702 2.891 1.00 0.00 H new ATOM 313 N HIS A 22 -9.791 2.756 3.132 1.00 0.00 N ATOM 314 CA HIS A 22 -10.295 4.098 2.891 1.00 0.00 C ATOM 315 C HIS A 22 -9.975 4.990 4.092 1.00 0.00 C ATOM 316 O HIS A 22 -10.656 4.927 5.115 1.00 0.00 O ATOM 317 CB HIS A 22 -11.787 4.066 2.557 1.00 0.00 C ATOM 318 CG HIS A 22 -12.131 3.209 1.362 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.634 1.929 1.190 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.927 3.461 0.284 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.115 1.443 0.055 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.916 2.394 -0.505 1.00 0.00 N ATOM 0 H HIS A 22 -10.200 2.285 3.939 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.797 4.527 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.335 3.699 3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.129 5.084 2.372 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.474 4.374 0.103 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.909 0.465 -0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.423 2.301 -1.385 1.00 0.00 H new ATOM 330 N VAL A 23 -8.939 5.799 3.929 1.00 0.00 N ATOM 331 CA VAL A 23 -8.520 6.702 4.987 1.00 0.00 C ATOM 332 C VAL A 23 -9.202 8.059 4.793 1.00 0.00 C ATOM 333 O VAL A 23 -9.047 8.691 3.749 1.00 0.00 O ATOM 334 CB VAL A 23 -6.994 6.800 5.019 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.535 7.903 5.975 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.367 5.455 5.391 1.00 0.00 C ATOM 0 H VAL A 23 -8.377 5.848 3.079 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.828 6.319 5.960 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.654 7.063 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.446 7.951 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.940 8.860 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.892 7.684 6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.281 5.552 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.719 5.150 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.654 4.704 4.655 1.00 0.00 H new ATOM 346 N LYS A 24 -9.941 8.465 5.814 1.00 0.00 N ATOM 347 CA LYS A 24 -10.647 9.735 5.769 1.00 0.00 C ATOM 348 C LYS A 24 -9.682 10.863 6.140 1.00 0.00 C ATOM 349 O LYS A 24 -8.757 10.660 6.925 1.00 0.00 O ATOM 350 CB LYS A 24 -11.899 9.683 6.646 1.00 0.00 C ATOM 351 CG LYS A 24 -13.152 9.447 5.800 1.00 0.00 C ATOM 352 CD LYS A 24 -14.419 9.585 6.646 1.00 0.00 C ATOM 353 CE LYS A 24 -15.656 9.743 5.760 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.863 9.254 6.462 1.00 0.00 N ATOM 0 H LYS A 24 -10.067 7.937 6.678 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.002 9.938 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.798 8.886 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.999 10.617 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.180 10.162 4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.113 8.452 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.533 8.707 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.328 10.448 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.785 10.791 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.519 9.189 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.693 9.369 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.744 8.248 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.002 9.801 7.336 1.00 0.00 H new ATOM 368 N VAL A 25 -9.931 12.027 5.558 1.00 0.00 N ATOM 369 CA VAL A 25 -9.096 13.187 5.817 1.00 0.00 C ATOM 370 C VAL A 25 -9.986 14.385 6.153 1.00 0.00 C ATOM 371 O VAL A 25 -10.942 14.674 5.435 1.00 0.00 O ATOM 372 CB VAL A 25 -8.172 13.444 4.625 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.069 14.440 4.991 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.578 12.136 4.100 1.00 0.00 C ATOM 0 H VAL A 25 -10.699 12.191 4.908 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.451 13.009 6.678 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.769 13.884 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.426 14.605 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.519 15.385 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.476 14.040 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.925 12.347 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.002 11.655 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.382 11.473 3.782 1.00 0.00 H new ATOM 384 N GLN A 26 -9.640 15.052 7.245 1.00 0.00 N ATOM 385 CA GLN A 26 -10.395 16.212 7.684 1.00 0.00 C ATOM 386 C GLN A 26 -9.629 17.497 7.365 1.00 0.00 C ATOM 387 O GLN A 26 -9.115 18.158 8.266 1.00 0.00 O ATOM 388 CB GLN A 26 -10.718 16.123 9.177 1.00 0.00 C ATOM 389 CG GLN A 26 -12.220 15.940 9.404 1.00 0.00 C ATOM 390 CD GLN A 26 -12.681 16.689 10.656 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.017 16.706 11.680 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.851 17.306 10.518 1.00 0.00 N ATOM 0 H GLN A 26 -8.846 14.810 7.838 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.340 16.232 7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.175 15.288 9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.378 17.028 9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.769 16.303 8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.449 14.879 9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.355 17.251 9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.244 17.834 11.297 1.00 0.00 H new ATOM 401 N LYS A 27 -9.575 17.812 6.079 1.00 0.00 N ATOM 402 CA LYS A 27 -8.880 19.006 5.629 1.00 0.00 C ATOM 403 C LYS A 27 -9.429 20.223 6.377 1.00 0.00 C ATOM 404 O LYS A 27 -8.769 20.761 7.264 1.00 0.00 O ATOM 405 CB LYS A 27 -8.960 19.132 4.107 1.00 0.00 C ATOM 406 CG LYS A 27 -8.414 17.876 3.423 1.00 0.00 C ATOM 407 CD LYS A 27 -6.935 18.043 3.071 1.00 0.00 C ATOM 408 CE LYS A 27 -6.705 17.857 1.570 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.104 19.075 0.982 1.00 0.00 N ATOM 0 H LYS A 27 -10.001 17.261 5.334 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.818 18.939 5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.995 19.294 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.393 20.004 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.540 17.016 4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.986 17.672 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.595 19.033 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.341 17.317 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.050 17.003 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.651 17.636 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.683 19.395 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.065 19.825 1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.141 18.862 0.651 1.00 0.00 H new ATOM 423 N GLY A 28 -10.632 20.621 5.990 1.00 0.00 N ATOM 424 CA GLY A 28 -11.278 21.764 6.613 1.00 0.00 C ATOM 425 C GLY A 28 -10.701 23.077 6.079 1.00 0.00 C ATOM 426 O GLY A 28 -10.451 24.007 6.845 1.00 0.00 O ATOM 0 H GLY A 28 -11.176 20.173 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.351 21.729 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.145 21.717 7.694 1.00 0.00 H new ATOM 430 N SER A 29 -10.506 23.112 4.769 1.00 0.00 N ATOM 431 CA SER A 29 -9.963 24.295 4.124 1.00 0.00 C ATOM 432 C SER A 29 -8.446 24.345 4.313 1.00 0.00 C ATOM 433 O SER A 29 -7.885 25.407 4.579 1.00 0.00 O ATOM 434 CB SER A 29 -10.609 25.568 4.675 1.00 0.00 C ATOM 435 OG SER A 29 -11.120 26.400 3.637 1.00 0.00 O ATOM 0 H SER A 29 -10.715 22.339 4.137 1.00 0.00 H new ATOM 0 HA SER A 29 -10.188 24.237 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.417 25.299 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.874 26.125 5.257 1.00 0.00 H new ATOM 0 HG SER A 29 -11.526 27.201 4.030 1.00 0.00 H new ATOM 441 N GLU A 30 -7.825 23.184 4.168 1.00 0.00 N ATOM 442 CA GLU A 30 -6.384 23.081 4.320 1.00 0.00 C ATOM 443 C GLU A 30 -5.819 22.048 3.343 1.00 0.00 C ATOM 444 O GLU A 30 -6.543 21.171 2.874 1.00 0.00 O ATOM 445 CB GLU A 30 -6.007 22.736 5.762 1.00 0.00 C ATOM 446 CG GLU A 30 -5.997 23.988 6.641 1.00 0.00 C ATOM 447 CD GLU A 30 -6.884 23.800 7.873 1.00 0.00 C ATOM 448 OE1 GLU A 30 -6.890 22.667 8.401 1.00 0.00 O ATOM 449 OE2 GLU A 30 -7.537 24.794 8.259 1.00 0.00 O ATOM 0 H GLU A 30 -8.294 22.306 3.947 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.944 24.051 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.715 22.011 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.024 22.266 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.976 24.209 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.346 24.844 6.064 1.00 0.00 H new ATOM 456 N PRO A 31 -4.497 22.189 3.058 1.00 0.00 N ATOM 457 CA PRO A 31 -3.827 21.278 2.145 1.00 0.00 C ATOM 458 C PRO A 31 -3.575 19.923 2.810 1.00 0.00 C ATOM 459 O PRO A 31 -3.805 19.763 4.007 1.00 0.00 O ATOM 460 CB PRO A 31 -2.545 21.992 1.747 1.00 0.00 C ATOM 461 CG PRO A 31 -2.320 23.063 2.803 1.00 0.00 C ATOM 462 CD PRO A 31 -3.608 23.215 3.595 1.00 0.00 C ATOM 0 HA PRO A 31 -4.428 21.046 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.706 21.297 1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.636 22.434 0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.498 22.783 3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.046 24.009 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.436 23.071 4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.033 24.211 3.472 1.00 0.00 H new ATOM 470 N LEU A 32 -3.104 18.983 2.004 1.00 0.00 N ATOM 471 CA LEU A 32 -2.818 17.647 2.498 1.00 0.00 C ATOM 472 C LEU A 32 -1.390 17.606 3.046 1.00 0.00 C ATOM 473 O LEU A 32 -1.164 17.148 4.165 1.00 0.00 O ATOM 474 CB LEU A 32 -3.090 16.604 1.413 1.00 0.00 C ATOM 475 CG LEU A 32 -3.115 15.146 1.875 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.177 14.931 2.955 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.304 14.198 0.689 1.00 0.00 C ATOM 0 H LEU A 32 -2.913 19.120 1.011 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.485 17.395 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.049 16.834 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.329 16.706 0.640 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.149 14.913 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.174 13.886 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.957 15.566 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.158 15.188 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.318 13.168 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.247 14.423 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.482 14.327 -0.015 1.00 0.00 H new ATOM 489 N GLY A 33 -0.464 18.091 2.233 1.00 0.00 N ATOM 490 CA GLY A 33 0.936 18.116 2.622 1.00 0.00 C ATOM 491 C GLY A 33 1.562 16.725 2.504 1.00 0.00 C ATOM 492 O GLY A 33 1.886 16.098 3.512 1.00 0.00 O ATOM 0 H GLY A 33 -0.656 18.470 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.480 18.818 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.026 18.474 3.648 1.00 0.00 H new ATOM 496 N ILE A 34 1.714 16.283 1.264 1.00 0.00 N ATOM 497 CA ILE A 34 2.296 14.978 1.001 1.00 0.00 C ATOM 498 C ILE A 34 2.972 14.993 -0.372 1.00 0.00 C ATOM 499 O ILE A 34 2.532 15.701 -1.276 1.00 0.00 O ATOM 500 CB ILE A 34 1.242 13.880 1.155 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.059 14.119 0.215 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.797 13.749 2.613 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.147 12.926 -0.721 1.00 0.00 C ATOM 0 H ILE A 34 1.444 16.806 0.431 1.00 0.00 H new ATOM 0 HA ILE A 34 3.069 14.751 1.735 1.00 0.00 H new ATOM 0 HB ILE A 34 1.694 12.930 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.846 14.288 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.233 15.021 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.048 12.962 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.657 13.498 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.369 14.694 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.994 13.122 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.751 12.775 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.345 12.031 -0.131 1.00 0.00 H new ATOM 515 N SER A 35 4.029 14.203 -0.484 1.00 0.00 N ATOM 516 CA SER A 35 4.770 14.116 -1.732 1.00 0.00 C ATOM 517 C SER A 35 4.379 12.843 -2.485 1.00 0.00 C ATOM 518 O SER A 35 4.151 11.801 -1.872 1.00 0.00 O ATOM 519 CB SER A 35 6.278 14.143 -1.480 1.00 0.00 C ATOM 520 OG SER A 35 7.010 14.484 -2.654 1.00 0.00 O ATOM 0 H SER A 35 4.391 13.617 0.269 1.00 0.00 H new ATOM 0 HA SER A 35 4.516 14.983 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.501 14.863 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.603 13.166 -1.121 1.00 0.00 H new ATOM 0 HG SER A 35 7.737 13.840 -2.785 1.00 0.00 H new ATOM 526 N ILE A 36 4.314 12.969 -3.802 1.00 0.00 N ATOM 527 CA ILE A 36 3.955 11.841 -4.645 1.00 0.00 C ATOM 528 C ILE A 36 4.909 11.779 -5.840 1.00 0.00 C ATOM 529 O ILE A 36 5.415 12.807 -6.289 1.00 0.00 O ATOM 530 CB ILE A 36 2.479 11.916 -5.040 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.213 13.124 -5.940 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.579 11.914 -3.802 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.187 12.715 -7.414 1.00 0.00 C ATOM 0 H ILE A 36 4.504 13.835 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 36 4.068 10.905 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 36 2.234 11.024 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.261 13.581 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.985 13.877 -5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.535 11.968 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.743 10.998 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.817 12.775 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.996 13.593 -8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.148 12.280 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.398 11.980 -7.574 1.00 0.00 H new ATOM 545 N VAL A 37 5.126 10.564 -6.320 1.00 0.00 N ATOM 546 CA VAL A 37 6.010 10.355 -7.454 1.00 0.00 C ATOM 547 C VAL A 37 5.362 9.366 -8.425 1.00 0.00 C ATOM 548 O VAL A 37 4.613 8.483 -8.010 1.00 0.00 O ATOM 549 CB VAL A 37 7.387 9.898 -6.967 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.858 10.745 -5.783 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.376 8.411 -6.608 1.00 0.00 C ATOM 0 H VAL A 37 4.705 9.714 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 37 6.164 11.289 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 37 8.095 10.040 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.839 10.400 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.924 11.790 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.148 10.650 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.367 8.112 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.649 8.233 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.105 7.826 -7.487 1.00 0.00 H new ATOM 561 N SER A 38 5.673 9.547 -9.700 1.00 0.00 N ATOM 562 CA SER A 38 5.130 8.682 -10.734 1.00 0.00 C ATOM 563 C SER A 38 6.169 7.634 -11.137 1.00 0.00 C ATOM 564 O SER A 38 7.369 7.905 -11.121 1.00 0.00 O ATOM 565 CB SER A 38 4.691 9.492 -11.955 1.00 0.00 C ATOM 566 OG SER A 38 4.151 8.662 -12.980 1.00 0.00 O ATOM 0 H SER A 38 6.295 10.280 -10.041 1.00 0.00 H new ATOM 0 HA SER A 38 4.251 8.178 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.945 10.227 -11.653 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.543 10.046 -12.348 1.00 0.00 H new ATOM 0 HG SER A 38 3.881 9.217 -13.742 1.00 0.00 H new ATOM 572 N GLY A 39 5.670 6.459 -11.491 1.00 0.00 N ATOM 573 CA GLY A 39 6.540 5.368 -11.898 1.00 0.00 C ATOM 574 C GLY A 39 6.442 5.123 -13.405 1.00 0.00 C ATOM 575 O GLY A 39 5.394 5.349 -14.008 1.00 0.00 O ATOM 0 H GLY A 39 4.674 6.238 -11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.571 5.600 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.267 4.460 -11.360 1.00 0.00 H new ATOM 623 N GLY A 43 2.032 3.362 -10.981 1.00 0.00 N ATOM 624 CA GLY A 43 1.064 4.352 -10.541 1.00 0.00 C ATOM 625 C GLY A 43 1.742 5.459 -9.731 1.00 0.00 C ATOM 626 O GLY A 43 2.899 5.794 -9.978 1.00 0.00 O ATOM 0 HA2 GLY A 43 0.562 4.785 -11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.296 3.871 -9.935 1.00 0.00 H new ATOM 630 N ILE A 44 0.992 5.996 -8.780 1.00 0.00 N ATOM 631 CA ILE A 44 1.505 7.058 -7.931 1.00 0.00 C ATOM 632 C ILE A 44 1.922 6.470 -6.581 1.00 0.00 C ATOM 633 O ILE A 44 1.235 5.606 -6.038 1.00 0.00 O ATOM 634 CB ILE A 44 0.487 8.194 -7.820 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.071 8.695 -9.204 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.022 9.325 -6.938 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.195 9.502 -9.857 1.00 0.00 C ATOM 0 H ILE A 44 0.032 5.715 -8.578 1.00 0.00 H new ATOM 0 HA ILE A 44 2.396 7.503 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.409 7.804 -7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.189 7.847 -9.838 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.822 9.314 -9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.279 10.120 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.228 8.941 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.941 9.720 -7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.872 9.846 -10.840 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.436 10.362 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.079 8.873 -9.965 1.00 0.00 H new ATOM 649 N TYR A 45 3.044 6.962 -6.079 1.00 0.00 N ATOM 650 CA TYR A 45 3.560 6.497 -4.802 1.00 0.00 C ATOM 651 C TYR A 45 3.955 7.674 -3.908 1.00 0.00 C ATOM 652 O TYR A 45 4.512 8.661 -4.386 1.00 0.00 O ATOM 653 CB TYR A 45 4.810 5.677 -5.127 1.00 0.00 C ATOM 654 CG TYR A 45 4.532 4.420 -5.954 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.556 4.481 -7.332 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.258 3.224 -5.321 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.295 3.298 -8.110 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.996 2.041 -6.099 1.00 0.00 C ATOM 659 CZ TYR A 45 4.028 2.137 -7.456 1.00 0.00 C ATOM 660 OH TYR A 45 3.781 1.019 -8.191 1.00 0.00 O ATOM 0 H TYR A 45 3.611 7.678 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 45 2.805 5.917 -4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.515 6.308 -5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.294 5.386 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.771 5.416 -7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.240 3.176 -4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.311 3.332 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.779 1.099 -5.617 1.00 0.00 H new ATOM 0 HH TYR A 45 3.607 0.264 -7.590 1.00 0.00 H new ATOM 670 N VAL A 46 3.650 7.531 -2.627 1.00 0.00 N ATOM 671 CA VAL A 46 3.966 8.570 -1.662 1.00 0.00 C ATOM 672 C VAL A 46 5.484 8.661 -1.496 1.00 0.00 C ATOM 673 O VAL A 46 6.142 7.662 -1.212 1.00 0.00 O ATOM 674 CB VAL A 46 3.236 8.300 -0.345 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.760 9.209 0.769 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.723 8.458 -0.514 1.00 0.00 C ATOM 0 H VAL A 46 3.187 6.711 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 46 3.619 9.540 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 46 3.436 7.268 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.224 8.997 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.825 9.027 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.605 10.252 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.228 8.261 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.497 9.474 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.365 7.752 -1.263 1.00 0.00 H new ATOM 686 N SER A 47 5.996 9.870 -1.681 1.00 0.00 N ATOM 687 CA SER A 47 7.424 10.104 -1.555 1.00 0.00 C ATOM 688 C SER A 47 7.736 10.717 -0.188 1.00 0.00 C ATOM 689 O SER A 47 8.873 10.659 0.278 1.00 0.00 O ATOM 690 CB SER A 47 7.933 11.016 -2.673 1.00 0.00 C ATOM 691 OG SER A 47 8.910 11.942 -2.205 1.00 0.00 O ATOM 0 H SER A 47 5.447 10.697 -1.917 1.00 0.00 H new ATOM 0 HA SER A 47 7.936 9.146 -1.642 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.362 10.408 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.094 11.562 -3.105 1.00 0.00 H new ATOM 0 HG SER A 47 9.222 12.494 -2.952 1.00 0.00 H new ATOM 697 N LYS A 48 6.705 11.289 0.417 1.00 0.00 N ATOM 698 CA LYS A 48 6.855 11.912 1.722 1.00 0.00 C ATOM 699 C LYS A 48 5.485 12.378 2.219 1.00 0.00 C ATOM 700 O LYS A 48 4.529 12.443 1.448 1.00 0.00 O ATOM 701 CB LYS A 48 7.901 13.027 1.666 1.00 0.00 C ATOM 702 CG LYS A 48 8.320 13.455 3.074 1.00 0.00 C ATOM 703 CD LYS A 48 9.557 14.355 3.028 1.00 0.00 C ATOM 704 CE LYS A 48 9.351 15.614 3.872 1.00 0.00 C ATOM 705 NZ LYS A 48 8.816 16.714 3.039 1.00 0.00 N ATOM 0 H LYS A 48 5.763 11.334 0.028 1.00 0.00 H new ATOM 0 HA LYS A 48 7.230 11.191 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.774 12.684 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.497 13.884 1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.498 13.984 3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.530 12.573 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.425 13.806 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.769 14.635 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.663 15.402 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.297 15.917 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.682 17.561 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.486 16.927 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.903 16.428 2.631 1.00 0.00 H new ATOM 719 N VAL A 49 5.434 12.690 3.506 1.00 0.00 N ATOM 720 CA VAL A 49 4.197 13.148 4.116 1.00 0.00 C ATOM 721 C VAL A 49 4.524 14.091 5.276 1.00 0.00 C ATOM 722 O VAL A 49 4.867 13.641 6.368 1.00 0.00 O ATOM 723 CB VAL A 49 3.348 11.949 4.541 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.165 10.972 5.389 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.092 12.404 5.287 1.00 0.00 C ATOM 0 H VAL A 49 6.229 12.635 4.143 1.00 0.00 H new ATOM 0 HA VAL A 49 3.602 13.711 3.397 1.00 0.00 H new ATOM 0 HB VAL A 49 3.031 11.426 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.538 10.129 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.015 10.611 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.525 11.480 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.506 11.532 5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.380 12.962 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.494 13.043 4.637 1.00 0.00 H new ATOM 735 N THR A 50 4.406 15.381 4.999 1.00 0.00 N ATOM 736 CA THR A 50 4.685 16.391 6.006 1.00 0.00 C ATOM 737 C THR A 50 4.043 16.005 7.340 1.00 0.00 C ATOM 738 O THR A 50 2.865 15.657 7.389 1.00 0.00 O ATOM 739 CB THR A 50 4.204 17.740 5.468 1.00 0.00 C ATOM 740 OG1 THR A 50 5.102 18.029 4.401 1.00 0.00 O ATOM 741 CG2 THR A 50 4.429 18.881 6.463 1.00 0.00 C ATOM 0 H THR A 50 4.121 15.750 4.092 1.00 0.00 H new ATOM 0 HA THR A 50 5.754 16.467 6.205 1.00 0.00 H new ATOM 0 HB THR A 50 3.144 17.675 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.861 18.887 3.994 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.070 19.816 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.884 18.673 7.384 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.493 18.968 6.683 1.00 0.00 H new ATOM 749 N VAL A 51 4.848 16.080 8.391 1.00 0.00 N ATOM 750 CA VAL A 51 4.373 15.742 9.722 1.00 0.00 C ATOM 751 C VAL A 51 3.689 16.964 10.339 1.00 0.00 C ATOM 752 O VAL A 51 4.250 18.058 10.343 1.00 0.00 O ATOM 753 CB VAL A 51 5.530 15.212 10.571 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.130 15.117 12.045 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.021 13.861 10.047 1.00 0.00 C ATOM 0 H VAL A 51 5.825 16.370 8.347 1.00 0.00 H new ATOM 0 HA VAL A 51 3.632 14.944 9.673 1.00 0.00 H new ATOM 0 HB VAL A 51 6.355 15.921 10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.970 14.738 12.626 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.852 16.105 12.411 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.282 14.440 12.149 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.844 13.507 10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.205 13.139 10.080 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.365 13.973 9.019 1.00 0.00 H new ATOM 765 N GLY A 52 2.487 16.735 10.846 1.00 0.00 N ATOM 766 CA GLY A 52 1.720 17.803 11.465 1.00 0.00 C ATOM 767 C GLY A 52 0.682 18.367 10.493 1.00 0.00 C ATOM 768 O GLY A 52 -0.170 19.164 10.882 1.00 0.00 O ATOM 0 H GLY A 52 2.025 15.826 10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.221 17.427 12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.392 18.599 11.787 1.00 0.00 H new ATOM 772 N SER A 53 0.787 17.931 9.246 1.00 0.00 N ATOM 773 CA SER A 53 -0.132 18.382 8.215 1.00 0.00 C ATOM 774 C SER A 53 -1.350 17.458 8.159 1.00 0.00 C ATOM 775 O SER A 53 -1.339 16.374 8.740 1.00 0.00 O ATOM 776 CB SER A 53 0.556 18.437 6.850 1.00 0.00 C ATOM 777 OG SER A 53 1.290 19.645 6.670 1.00 0.00 O ATOM 0 H SER A 53 1.495 17.270 8.926 1.00 0.00 H new ATOM 0 HA SER A 53 -0.460 19.390 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.229 17.586 6.749 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.193 18.347 6.063 1.00 0.00 H new ATOM 0 HG SER A 53 1.716 19.641 5.787 1.00 0.00 H new ATOM 783 N ILE A 54 -2.372 17.920 7.454 1.00 0.00 N ATOM 784 CA ILE A 54 -3.595 17.149 7.314 1.00 0.00 C ATOM 785 C ILE A 54 -3.244 15.667 7.164 1.00 0.00 C ATOM 786 O ILE A 54 -3.618 14.849 8.003 1.00 0.00 O ATOM 787 CB ILE A 54 -4.448 17.698 6.168 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.874 19.141 6.445 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.646 16.789 5.892 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.754 19.223 7.695 1.00 0.00 C ATOM 0 H ILE A 54 -2.378 18.820 6.973 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.209 17.243 8.210 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.839 17.710 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.991 19.766 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.418 19.534 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.235 17.202 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.293 15.795 5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.265 16.721 6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.043 20.259 7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.648 18.616 7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.198 18.852 8.556 1.00 0.00 H new ATOM 802 N ALA A 55 -2.530 15.367 6.090 1.00 0.00 N ATOM 803 CA ALA A 55 -2.124 13.998 5.819 1.00 0.00 C ATOM 804 C ALA A 55 -1.739 13.316 7.133 1.00 0.00 C ATOM 805 O ALA A 55 -2.421 12.395 7.581 1.00 0.00 O ATOM 806 CB ALA A 55 -0.980 13.996 4.803 1.00 0.00 C ATOM 0 H ALA A 55 -2.222 16.048 5.396 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.947 13.432 5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.676 12.969 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.314 14.465 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.134 14.552 5.207 1.00 0.00 H new ATOM 812 N HIS A 56 -0.648 13.793 7.713 1.00 0.00 N ATOM 813 CA HIS A 56 -0.164 13.240 8.966 1.00 0.00 C ATOM 814 C HIS A 56 -1.352 12.881 9.861 1.00 0.00 C ATOM 815 O HIS A 56 -1.492 11.733 10.281 1.00 0.00 O ATOM 816 CB HIS A 56 0.817 14.201 9.641 1.00 0.00 C ATOM 817 CG HIS A 56 1.811 13.524 10.555 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.745 13.616 11.934 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.892 12.742 10.272 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.748 12.919 12.448 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.457 12.378 11.416 1.00 0.00 N ATOM 0 H HIS A 56 -0.085 14.557 7.338 1.00 0.00 H new ATOM 0 HA HIS A 56 0.391 12.322 8.772 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.361 14.748 8.871 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.253 14.936 10.216 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.231 12.466 9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.966 12.800 13.499 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.285 11.790 11.509 1.00 0.00 H new ATOM 829 N GLN A 57 -2.176 13.883 10.127 1.00 0.00 N ATOM 830 CA GLN A 57 -3.347 13.687 10.964 1.00 0.00 C ATOM 831 C GLN A 57 -4.126 12.452 10.507 1.00 0.00 C ATOM 832 O GLN A 57 -4.509 11.617 11.325 1.00 0.00 O ATOM 833 CB GLN A 57 -4.239 14.930 10.960 1.00 0.00 C ATOM 834 CG GLN A 57 -3.409 16.201 11.151 1.00 0.00 C ATOM 835 CD GLN A 57 -4.275 17.349 11.672 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.413 17.534 11.272 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.676 18.107 12.586 1.00 0.00 N ATOM 0 H GLN A 57 -2.056 14.834 9.778 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.013 13.523 11.989 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.786 14.987 10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.980 14.853 11.755 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.597 16.007 11.851 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.952 16.487 10.204 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.721 17.897 12.877 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.172 18.898 12.996 1.00 0.00 H new ATOM 846 N ALA A 58 -4.337 12.375 9.201 1.00 0.00 N ATOM 847 CA ALA A 58 -5.063 11.256 8.625 1.00 0.00 C ATOM 848 C ALA A 58 -4.330 9.954 8.956 1.00 0.00 C ATOM 849 O ALA A 58 -4.961 8.938 9.243 1.00 0.00 O ATOM 850 CB ALA A 58 -5.220 11.470 7.118 1.00 0.00 C ATOM 0 H ALA A 58 -4.018 13.069 8.526 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.064 11.188 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.765 10.630 6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.772 12.392 6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.235 11.540 6.656 1.00 0.00 H new ATOM 856 N GLY A 59 -3.008 10.026 8.903 1.00 0.00 N ATOM 857 CA GLY A 59 -2.183 8.866 9.193 1.00 0.00 C ATOM 858 C GLY A 59 -1.646 8.239 7.905 1.00 0.00 C ATOM 859 O GLY A 59 -1.732 7.027 7.717 1.00 0.00 O ATOM 0 H GLY A 59 -2.488 10.870 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.351 9.158 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.767 8.129 9.745 1.00 0.00 H new ATOM 863 N LEU A 60 -1.103 9.095 7.051 1.00 0.00 N ATOM 864 CA LEU A 60 -0.551 8.640 5.786 1.00 0.00 C ATOM 865 C LEU A 60 0.959 8.441 5.934 1.00 0.00 C ATOM 866 O LEU A 60 1.612 9.163 6.685 1.00 0.00 O ATOM 867 CB LEU A 60 -0.937 9.599 4.658 1.00 0.00 C ATOM 868 CG LEU A 60 -2.429 9.684 4.331 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.729 10.900 3.452 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.927 8.383 3.698 1.00 0.00 C ATOM 0 H LEU A 60 -1.034 10.100 7.210 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.974 7.674 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.585 10.597 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.404 9.300 3.755 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.976 9.818 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.796 10.937 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.434 11.809 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.171 10.821 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.990 8.470 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.378 8.194 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.768 7.557 4.391 1.00 0.00 H new ATOM 882 N GLU A 61 1.468 7.459 5.206 1.00 0.00 N ATOM 883 CA GLU A 61 2.889 7.156 5.248 1.00 0.00 C ATOM 884 C GLU A 61 3.424 6.927 3.833 1.00 0.00 C ATOM 885 O GLU A 61 2.651 6.826 2.882 1.00 0.00 O ATOM 886 CB GLU A 61 3.165 5.945 6.141 1.00 0.00 C ATOM 887 CG GLU A 61 2.582 4.669 5.532 1.00 0.00 C ATOM 888 CD GLU A 61 1.230 4.329 6.162 1.00 0.00 C ATOM 889 OE1 GLU A 61 0.338 5.203 6.098 1.00 0.00 O ATOM 890 OE2 GLU A 61 1.118 3.203 6.693 1.00 0.00 O ATOM 0 H GLU A 61 0.923 6.863 4.584 1.00 0.00 H new ATOM 0 HA GLU A 61 3.411 8.010 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.240 5.828 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.733 6.111 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.464 4.796 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.275 3.841 5.681 1.00 0.00 H new ATOM 897 N TYR A 62 4.744 6.852 3.739 1.00 0.00 N ATOM 898 CA TYR A 62 5.392 6.637 2.456 1.00 0.00 C ATOM 899 C TYR A 62 5.224 5.189 1.993 1.00 0.00 C ATOM 900 O TYR A 62 5.099 4.281 2.814 1.00 0.00 O ATOM 901 CB TYR A 62 6.879 6.918 2.683 1.00 0.00 C ATOM 902 CG TYR A 62 7.748 6.705 1.442 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.962 5.430 0.960 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.318 7.788 0.804 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.781 5.229 -0.208 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.136 7.588 -0.364 1.00 0.00 C ATOM 907 CZ TYR A 62 9.327 6.318 -0.812 1.00 0.00 C ATOM 908 OH TYR A 62 10.100 6.128 -1.915 1.00 0.00 O ATOM 0 H TYR A 62 5.382 6.936 4.530 1.00 0.00 H new ATOM 0 HA TYR A 62 4.956 7.282 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.996 7.947 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.242 6.273 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.515 4.582 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.150 8.786 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.957 4.236 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.587 8.427 -0.873 1.00 0.00 H new ATOM 0 HH TYR A 62 10.422 6.994 -2.242 1.00 0.00 H new ATOM 918 N GLY A 63 5.225 5.018 0.679 1.00 0.00 N ATOM 919 CA GLY A 63 5.074 3.695 0.097 1.00 0.00 C ATOM 920 C GLY A 63 3.603 3.388 -0.193 1.00 0.00 C ATOM 921 O GLY A 63 3.292 2.648 -1.124 1.00 0.00 O ATOM 0 H GLY A 63 5.328 5.773 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.651 3.632 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.478 2.946 0.778 1.00 0.00 H new ATOM 925 N ASP A 64 2.738 3.973 0.623 1.00 0.00 N ATOM 926 CA ASP A 64 1.308 3.771 0.466 1.00 0.00 C ATOM 927 C ASP A 64 0.887 4.202 -0.941 1.00 0.00 C ATOM 928 O ASP A 64 0.801 5.395 -1.228 1.00 0.00 O ATOM 929 CB ASP A 64 0.519 4.610 1.473 1.00 0.00 C ATOM 930 CG ASP A 64 -0.051 3.830 2.659 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.068 2.584 2.563 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.458 4.498 3.635 1.00 0.00 O ATOM 0 H ASP A 64 3.000 4.587 1.394 1.00 0.00 H new ATOM 0 HA ASP A 64 1.097 2.715 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.168 5.398 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.303 5.099 0.950 1.00 0.00 H new ATOM 937 N GLN A 65 0.637 3.208 -1.780 1.00 0.00 N ATOM 938 CA GLN A 65 0.228 3.469 -3.149 1.00 0.00 C ATOM 939 C GLN A 65 -1.202 4.015 -3.181 1.00 0.00 C ATOM 940 O GLN A 65 -2.130 3.361 -2.707 1.00 0.00 O ATOM 941 CB GLN A 65 0.353 2.210 -4.009 1.00 0.00 C ATOM 942 CG GLN A 65 0.494 2.568 -5.489 1.00 0.00 C ATOM 943 CD GLN A 65 -0.201 1.530 -6.373 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.018 0.333 -6.230 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.006 2.055 -7.293 1.00 0.00 N ATOM 0 H GLN A 65 0.710 2.220 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 65 0.894 4.223 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.218 1.630 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.524 1.579 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.064 3.553 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.550 2.628 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.114 3.067 -7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.515 1.445 -7.933 1.00 0.00 H new ATOM 954 N LEU A 66 -1.334 5.207 -3.744 1.00 0.00 N ATOM 955 CA LEU A 66 -2.634 5.847 -3.844 1.00 0.00 C ATOM 956 C LEU A 66 -3.389 5.274 -5.045 1.00 0.00 C ATOM 957 O LEU A 66 -3.009 5.508 -6.191 1.00 0.00 O ATOM 958 CB LEU A 66 -2.480 7.369 -3.884 1.00 0.00 C ATOM 959 CG LEU A 66 -1.412 7.959 -2.961 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.127 9.420 -3.317 1.00 0.00 C ATOM 961 CD2 LEU A 66 -1.804 7.793 -1.492 1.00 0.00 C ATOM 0 H LEU A 66 -0.562 5.746 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.233 5.633 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.251 7.664 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.440 7.818 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.486 7.404 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.364 9.816 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.772 9.481 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.041 10.005 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.028 8.221 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.748 8.306 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.917 6.733 -1.263 1.00 0.00 H new ATOM 973 N LEU A 67 -4.445 4.534 -4.740 1.00 0.00 N ATOM 974 CA LEU A 67 -5.257 3.925 -5.780 1.00 0.00 C ATOM 975 C LEU A 67 -6.244 4.961 -6.322 1.00 0.00 C ATOM 976 O LEU A 67 -6.272 5.228 -7.522 1.00 0.00 O ATOM 977 CB LEU A 67 -5.926 2.651 -5.261 1.00 0.00 C ATOM 978 CG LEU A 67 -5.007 1.444 -5.063 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.779 0.254 -4.489 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.285 1.085 -6.364 1.00 0.00 C ATOM 0 H LEU A 67 -4.757 4.342 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.632 3.611 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.405 2.878 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.717 2.370 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.243 1.713 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.102 -0.590 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.207 0.529 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.579 -0.025 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.638 0.224 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.019 0.843 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.683 1.932 -6.692 1.00 0.00 H new ATOM 992 N GLU A 68 -7.031 5.515 -5.411 1.00 0.00 N ATOM 993 CA GLU A 68 -8.017 6.515 -5.782 1.00 0.00 C ATOM 994 C GLU A 68 -8.096 7.606 -4.712 1.00 0.00 C ATOM 995 O GLU A 68 -7.987 7.321 -3.521 1.00 0.00 O ATOM 996 CB GLU A 68 -9.387 5.875 -6.014 1.00 0.00 C ATOM 997 CG GLU A 68 -9.340 4.886 -7.181 1.00 0.00 C ATOM 998 CD GLU A 68 -10.684 4.833 -7.910 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.676 4.463 -7.246 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.689 5.165 -9.115 1.00 0.00 O ATOM 0 H GLU A 68 -7.005 5.290 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.704 6.975 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.710 5.360 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.125 6.651 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.555 5.178 -7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.084 3.893 -6.811 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.284 8.833 -5.176 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.378 9.968 -4.274 1.00 0.00 C ATOM 1009 C PHE A 69 -9.791 10.555 -4.278 1.00 0.00 C ATOM 1010 O PHE A 69 -10.154 11.302 -5.186 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.397 11.026 -4.782 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.534 12.384 -4.091 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -6.815 12.653 -2.969 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -8.376 13.324 -4.600 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -6.942 13.914 -2.328 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -8.503 14.584 -3.960 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.784 14.853 -2.837 1.00 0.00 C ATOM 0 H PHE A 69 -8.374 9.066 -6.165 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.146 9.655 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.380 10.660 -4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.544 11.159 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.147 11.907 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.948 13.111 -5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.370 14.127 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.171 15.330 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.882 15.812 -2.350 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.550 10.197 -3.253 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.914 10.679 -3.127 1.00 0.00 C ATOM 1029 C ASN A 70 -12.742 10.170 -4.309 1.00 0.00 C ATOM 1030 O ASN A 70 -13.849 10.649 -4.549 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.961 12.208 -3.141 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.638 12.748 -1.880 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.236 12.019 -1.105 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.511 14.062 -1.717 1.00 0.00 N ATOM 0 H ASN A 70 -10.246 9.578 -2.502 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.314 10.314 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.949 12.606 -3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.502 12.551 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.927 14.518 -0.905 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.997 14.614 -2.404 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.173 9.206 -5.017 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.844 8.626 -6.168 1.00 0.00 C ATOM 1043 C GLY A 71 -11.924 8.615 -7.391 1.00 0.00 C ATOM 1044 O GLY A 71 -11.840 7.613 -8.100 1.00 0.00 O ATOM 0 H GLY A 71 -11.254 8.812 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.158 7.608 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.746 9.195 -6.392 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.258 9.741 -7.601 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.348 9.873 -8.725 1.00 0.00 C ATOM 1050 C ILE A 72 -9.481 8.616 -8.826 1.00 0.00 C ATOM 1051 O ILE A 72 -9.322 7.888 -7.847 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.541 11.169 -8.612 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.296 12.342 -9.239 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.144 10.999 -9.214 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.257 13.570 -8.327 1.00 0.00 C ATOM 0 H ILE A 72 -11.331 10.570 -7.011 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.906 9.951 -9.658 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.411 11.399 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.855 12.588 -10.205 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.331 12.055 -9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.591 11.934 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.613 10.209 -8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.232 10.733 -10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.801 14.389 -8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.720 13.328 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.222 13.869 -8.163 1.00 0.00 H new ATOM 1067 N ASN A 73 -8.945 8.399 -10.018 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.100 7.243 -10.259 1.00 0.00 C ATOM 1069 C ASN A 73 -6.641 7.694 -10.355 1.00 0.00 C ATOM 1070 O ASN A 73 -6.239 8.299 -11.347 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.469 6.555 -11.574 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.266 5.041 -11.478 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -7.465 4.545 -10.702 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.034 4.338 -12.306 1.00 0.00 N ATOM 0 H ASN A 73 -9.080 9.005 -10.827 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.242 6.544 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.508 6.771 -11.822 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.858 6.957 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.973 3.320 -12.317 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.683 4.817 -12.930 1.00 0.00 H new ATOM 1081 N LEU A 74 -5.888 7.382 -9.310 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.483 7.748 -9.264 1.00 0.00 C ATOM 1083 C LEU A 74 -3.690 6.830 -10.197 1.00 0.00 C ATOM 1084 O LEU A 74 -2.643 7.217 -10.712 1.00 0.00 O ATOM 1085 CB LEU A 74 -3.975 7.745 -7.821 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.171 9.045 -7.038 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.472 10.215 -7.735 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.656 9.324 -6.801 1.00 0.00 C ATOM 0 H LEU A 74 -6.225 6.880 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.343 8.767 -9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.476 6.941 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.911 7.507 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.706 8.928 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.627 11.127 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.404 10.009 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.887 10.343 -8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.767 10.253 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.167 9.413 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.094 8.504 -6.232 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.221 5.631 -10.386 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.577 4.654 -11.247 1.00 0.00 C ATOM 1102 C ARG A 75 -3.260 5.275 -12.609 1.00 0.00 C ATOM 1103 O ARG A 75 -2.329 4.846 -13.290 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.466 3.426 -11.449 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.102 2.317 -10.460 1.00 0.00 C ATOM 1106 CD ARG A 75 -3.132 1.316 -11.092 1.00 0.00 C ATOM 1107 NE ARG A 75 -3.770 0.658 -12.254 1.00 0.00 N ATOM 1108 CZ ARG A 75 -3.255 -0.401 -12.894 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -2.091 -0.928 -12.488 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -3.903 -0.932 -13.939 1.00 0.00 N ATOM 0 H ARG A 75 -5.090 5.314 -9.957 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.652 4.342 -10.761 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.512 3.705 -11.320 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.358 3.058 -12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.651 2.753 -9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.006 1.800 -10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.223 1.828 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.838 0.568 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.657 1.034 -12.589 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.598 -0.523 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.699 -1.734 -12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.788 -0.530 -14.248 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.511 -1.738 -14.426 1.00 0.00 H new ATOM 1124 N SER A 76 -4.051 6.276 -12.966 1.00 0.00 N ATOM 1125 CA SER A 76 -3.866 6.961 -14.234 1.00 0.00 C ATOM 1126 C SER A 76 -3.373 8.389 -13.992 1.00 0.00 C ATOM 1127 O SER A 76 -2.687 8.964 -14.835 1.00 0.00 O ATOM 1128 CB SER A 76 -5.164 6.978 -15.045 1.00 0.00 C ATOM 1129 OG SER A 76 -4.945 6.631 -16.410 1.00 0.00 O ATOM 0 H SER A 76 -4.822 6.629 -12.399 1.00 0.00 H new ATOM 0 HA SER A 76 -3.116 6.418 -14.809 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.877 6.281 -14.604 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.613 7.970 -14.990 1.00 0.00 H new ATOM 0 HG SER A 76 -5.797 6.652 -16.894 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.742 8.920 -12.835 1.00 0.00 N ATOM 1136 CA ALA A 77 -3.346 10.269 -12.471 1.00 0.00 C ATOM 1137 C ALA A 77 -1.821 10.377 -12.514 1.00 0.00 C ATOM 1138 O ALA A 77 -1.118 9.496 -12.022 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.916 10.615 -11.094 1.00 0.00 C ATOM 0 H ALA A 77 -4.311 8.440 -12.138 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.748 10.992 -13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.619 11.628 -10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.004 10.552 -11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.532 9.912 -10.354 1.00 0.00 H new ATOM 1145 N THR A 78 -1.353 11.466 -13.108 1.00 0.00 N ATOM 1146 CA THR A 78 0.076 11.701 -13.222 1.00 0.00 C ATOM 1147 C THR A 78 0.599 12.422 -11.978 1.00 0.00 C ATOM 1148 O THR A 78 -0.183 12.867 -11.139 1.00 0.00 O ATOM 1149 CB THR A 78 0.327 12.470 -14.521 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.778 13.366 -14.612 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.192 11.585 -15.761 1.00 0.00 C ATOM 0 H THR A 78 -1.939 12.195 -13.515 1.00 0.00 H new ATOM 0 HA THR A 78 0.628 10.763 -13.271 1.00 0.00 H new ATOM 0 HB THR A 78 1.324 12.909 -14.496 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.502 14.179 -15.085 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.380 12.180 -16.655 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.915 10.771 -15.708 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.816 11.172 -15.805 1.00 0.00 H new ATOM 1159 N GLU A 79 1.918 12.514 -11.898 1.00 0.00 N ATOM 1160 CA GLU A 79 2.555 13.174 -10.770 1.00 0.00 C ATOM 1161 C GLU A 79 2.084 14.626 -10.670 1.00 0.00 C ATOM 1162 O GLU A 79 1.879 15.141 -9.572 1.00 0.00 O ATOM 1163 CB GLU A 79 4.079 13.098 -10.880 1.00 0.00 C ATOM 1164 CG GLU A 79 4.538 13.334 -12.320 1.00 0.00 C ATOM 1165 CD GLU A 79 5.989 13.817 -12.361 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.189 15.032 -12.146 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.866 12.961 -12.608 1.00 0.00 O ATOM 0 H GLU A 79 2.563 12.143 -12.595 1.00 0.00 H new ATOM 0 HA GLU A 79 2.263 12.654 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.532 13.841 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.423 12.121 -10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.442 12.411 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.892 14.072 -12.795 1.00 0.00 H new ATOM 1174 N GLN A 80 1.927 15.245 -11.830 1.00 0.00 N ATOM 1175 CA GLN A 80 1.484 16.628 -11.887 1.00 0.00 C ATOM 1176 C GLN A 80 0.019 16.734 -11.457 1.00 0.00 C ATOM 1177 O GLN A 80 -0.373 17.706 -10.813 1.00 0.00 O ATOM 1178 CB GLN A 80 1.689 17.213 -13.286 1.00 0.00 C ATOM 1179 CG GLN A 80 0.840 16.471 -14.320 1.00 0.00 C ATOM 1180 CD GLN A 80 0.806 17.231 -15.648 1.00 0.00 C ATOM 1181 OE1 GLN A 80 1.175 18.390 -15.739 1.00 0.00 O ATOM 1182 NE2 GLN A 80 0.345 16.514 -16.669 1.00 0.00 N ATOM 0 H GLN A 80 2.099 14.814 -12.739 1.00 0.00 H new ATOM 0 HA GLN A 80 2.089 17.212 -11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.425 18.270 -13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.742 17.148 -13.561 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.245 15.472 -14.479 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.175 16.347 -13.942 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.053 15.548 -16.523 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.284 16.930 -17.598 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.749 15.722 -11.832 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.161 15.689 -11.493 1.00 0.00 C ATOM 1193 C GLN A 81 -2.347 15.285 -10.029 1.00 0.00 C ATOM 1194 O GLN A 81 -3.100 15.924 -9.296 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.927 14.747 -12.424 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.231 15.425 -13.761 1.00 0.00 C ATOM 1197 CD GLN A 81 -4.001 14.484 -14.690 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -5.219 14.503 -14.766 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -3.225 13.662 -15.391 1.00 0.00 N ATOM 0 H GLN A 81 -0.420 14.919 -12.367 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.570 16.690 -11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.341 13.844 -12.595 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.858 14.438 -11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.814 16.330 -13.590 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.300 15.731 -14.238 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.212 13.698 -15.280 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.643 12.995 -16.040 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.649 14.225 -9.648 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.728 13.728 -8.285 1.00 0.00 C ATOM 1210 C ALA A 82 -1.358 14.851 -7.315 1.00 0.00 C ATOM 1211 O ALA A 82 -1.998 15.015 -6.277 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.820 12.505 -8.135 1.00 0.00 C ATOM 0 H ALA A 82 -1.026 13.697 -10.259 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.744 13.411 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.879 12.131 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.143 11.725 -8.825 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.209 12.786 -8.360 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.327 15.596 -7.687 1.00 0.00 N ATOM 1219 CA ARG A 83 0.135 16.699 -6.862 1.00 0.00 C ATOM 1220 C ARG A 83 -0.948 17.775 -6.759 1.00 0.00 C ATOM 1221 O ARG A 83 -0.899 18.628 -5.874 1.00 0.00 O ATOM 1222 CB ARG A 83 1.409 17.321 -7.437 1.00 0.00 C ATOM 1223 CG ARG A 83 2.629 16.449 -7.136 1.00 0.00 C ATOM 1224 CD ARG A 83 3.865 16.961 -7.879 1.00 0.00 C ATOM 1225 NE ARG A 83 5.048 16.907 -6.990 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.185 17.641 -5.878 1.00 0.00 C ATOM 1227 NH1 ARG A 83 4.215 18.489 -5.510 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.293 17.527 -5.132 1.00 0.00 N ATOM 0 H ARG A 83 0.201 15.457 -8.549 1.00 0.00 H new ATOM 0 HA ARG A 83 0.353 16.302 -5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.303 17.445 -8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.555 18.315 -7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.821 16.444 -6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.425 15.419 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.041 16.357 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.699 17.984 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 83 5.806 16.271 -7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.371 18.576 -6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.320 19.048 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.032 16.881 -5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.397 18.086 -4.285 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.901 17.700 -7.676 1.00 0.00 N ATOM 1243 CA LEU A 84 -2.995 18.657 -7.699 1.00 0.00 C ATOM 1244 C LEU A 84 -4.226 18.034 -7.038 1.00 0.00 C ATOM 1245 O LEU A 84 -4.786 18.602 -6.102 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.246 19.149 -9.126 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.598 18.775 -9.736 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.748 19.393 -8.939 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.656 19.158 -11.217 1.00 0.00 C ATOM 0 H LEU A 84 -1.939 16.991 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.737 19.544 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.153 20.235 -9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.458 18.755 -9.769 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.711 17.692 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.698 19.112 -9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.715 19.030 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.651 20.479 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.627 18.881 -11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.511 20.233 -11.321 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.870 18.632 -11.760 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.610 16.874 -7.551 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.765 16.168 -7.022 1.00 0.00 C ATOM 1263 C ILE A 85 -5.717 16.195 -5.493 1.00 0.00 C ATOM 1264 O ILE A 85 -6.713 16.508 -4.842 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.846 14.758 -7.610 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.943 14.805 -9.136 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.999 13.969 -6.986 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.270 13.584 -9.766 1.00 0.00 C ATOM 0 H ILE A 85 -4.142 16.406 -8.327 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.687 16.667 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.924 14.231 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.990 14.843 -9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.472 15.716 -9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.034 12.970 -7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.846 13.890 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.940 14.484 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.353 13.642 -10.851 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.217 13.562 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.759 12.676 -9.413 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.549 15.863 -4.963 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.358 15.845 -3.523 1.00 0.00 C ATOM 1282 C ILE A 86 -4.352 17.282 -2.996 1.00 0.00 C ATOM 1283 O ILE A 86 -4.794 17.538 -1.876 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.102 15.052 -3.158 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.837 15.814 -3.557 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.142 13.650 -3.769 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.640 14.868 -3.675 1.00 0.00 C ATOM 0 H ILE A 86 -3.725 15.604 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.185 15.329 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.077 14.931 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.999 16.322 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.624 16.585 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.237 13.107 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.014 13.115 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.203 13.728 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.246 15.436 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.466 14.380 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.846 14.113 -4.434 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.847 18.181 -3.827 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.778 19.585 -3.459 1.00 0.00 C ATOM 1301 C GLY A 87 -5.044 20.328 -3.891 1.00 0.00 C ATOM 1302 O GLY A 87 -4.970 21.451 -4.388 1.00 0.00 O ATOM 0 H GLY A 87 -3.481 17.965 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.649 19.676 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.906 20.044 -3.924 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.177 19.672 -3.686 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.457 20.256 -4.048 1.00 0.00 C ATOM 1308 C GLN A 88 -8.072 20.973 -2.845 1.00 0.00 C ATOM 1309 O GLN A 88 -7.442 21.084 -1.794 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.409 19.192 -4.599 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.170 18.964 -6.093 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.492 18.962 -6.865 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.563 19.155 -6.313 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.356 18.735 -8.168 1.00 0.00 N ATOM 0 H GLN A 88 -6.235 18.741 -3.273 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.290 20.990 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.268 18.257 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.441 19.502 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.517 19.745 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.656 18.014 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.429 18.581 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.179 18.715 -8.771 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.297 21.441 -3.038 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.005 22.144 -1.982 1.00 0.00 C ATOM 1325 C GLN A 89 -11.269 21.377 -1.589 1.00 0.00 C ATOM 1326 O GLN A 89 -12.313 21.526 -2.222 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.342 23.575 -2.406 1.00 0.00 C ATOM 1328 CG GLN A 89 -9.556 23.975 -3.656 1.00 0.00 C ATOM 1329 CD GLN A 89 -10.251 23.474 -4.924 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -11.344 23.891 -5.271 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.558 22.557 -5.594 1.00 0.00 N ATOM 0 H GLN A 89 -9.817 21.347 -3.910 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.353 22.202 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.411 23.658 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.113 24.263 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.457 25.060 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.548 23.564 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.648 22.252 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.936 22.159 -6.454 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.133 20.572 -0.545 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.251 19.781 -0.059 1.00 0.00 C ATOM 1342 C CYS A 90 -12.120 19.645 1.459 1.00 0.00 C ATOM 1343 O CYS A 90 -11.193 19.003 1.950 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.323 18.418 -0.750 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.503 18.485 -2.147 1.00 0.00 S ATOM 0 H CYS A 90 -10.266 20.451 -0.022 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.187 20.286 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.335 18.132 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.635 17.655 -0.036 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.462 19.664 -2.693 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.062 20.259 2.160 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.064 20.215 3.612 1.00 0.00 C ATOM 1353 C ASP A 91 -12.702 18.802 4.075 1.00 0.00 C ATOM 1354 O ASP A 91 -11.791 18.624 4.883 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.446 20.556 4.172 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.886 22.007 3.968 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.022 22.809 3.553 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.077 22.281 4.232 1.00 0.00 O ATOM 0 H ASP A 91 -13.830 20.790 1.749 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.339 20.945 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.182 19.900 3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.453 20.337 5.240 1.00 0.00 H new ATOM 1363 N THR A 92 -13.433 17.834 3.543 1.00 0.00 N ATOM 1364 CA THR A 92 -13.200 16.442 3.892 1.00 0.00 C ATOM 1365 C THR A 92 -13.022 15.599 2.628 1.00 0.00 C ATOM 1366 O THR A 92 -13.893 15.584 1.759 1.00 0.00 O ATOM 1367 CB THR A 92 -14.359 15.976 4.775 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.250 16.783 5.945 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.166 14.548 5.289 1.00 0.00 C ATOM 0 H THR A 92 -14.187 17.985 2.873 1.00 0.00 H new ATOM 0 HA THR A 92 -12.275 16.325 4.456 1.00 0.00 H new ATOM 0 HB THR A 92 -15.291 16.037 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.965 16.548 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.016 14.267 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.092 13.864 4.444 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.252 14.494 5.880 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.889 14.916 2.566 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.585 14.071 1.423 1.00 0.00 C ATOM 1379 C ILE A 93 -11.056 12.723 1.916 1.00 0.00 C ATOM 1380 O ILE A 93 -10.395 12.654 2.951 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.637 14.791 0.462 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.783 13.789 -0.318 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.780 15.818 1.204 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.525 13.411 0.467 1.00 0.00 C ATOM 0 H ILE A 93 -11.170 14.930 3.289 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.489 13.867 0.849 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.238 15.338 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.368 12.893 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.501 14.218 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.115 16.315 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.426 16.558 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.187 15.314 1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.936 12.698 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -7.930 14.305 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.811 12.960 1.417 1.00 0.00 H new ATOM 1396 N THR A 94 -11.365 11.686 1.152 1.00 0.00 N ATOM 1397 CA THR A 94 -10.929 10.344 1.499 1.00 0.00 C ATOM 1398 C THR A 94 -9.833 9.876 0.539 1.00 0.00 C ATOM 1399 O THR A 94 -9.631 10.473 -0.517 1.00 0.00 O ATOM 1400 CB THR A 94 -12.159 9.435 1.508 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.187 10.247 2.067 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.021 8.274 2.496 1.00 0.00 C ATOM 0 H THR A 94 -11.912 11.748 0.294 1.00 0.00 H new ATOM 0 HA THR A 94 -10.481 10.317 2.492 1.00 0.00 H new ATOM 0 HB THR A 94 -12.327 9.041 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.022 9.735 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.921 7.659 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.157 7.667 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.887 8.668 3.504 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.155 8.810 0.941 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.086 8.255 0.130 1.00 0.00 C ATOM 1412 C ILE A 95 -8.189 6.728 0.134 1.00 0.00 C ATOM 1413 O ILE A 95 -8.546 6.129 1.147 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.728 8.780 0.600 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.423 10.144 -0.022 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.620 7.763 0.322 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.548 10.988 0.907 1.00 0.00 C ATOM 0 H ILE A 95 -9.326 8.317 1.817 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.186 8.580 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.772 8.920 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.917 10.007 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.355 10.671 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.666 8.162 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.837 6.835 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.567 7.567 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.346 11.952 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.067 11.144 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.607 10.470 1.090 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.870 6.142 -1.011 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.923 4.697 -1.152 1.00 0.00 C ATOM 1431 C LEU A 96 -6.502 4.154 -1.321 1.00 0.00 C ATOM 1432 O LEU A 96 -6.007 4.040 -2.441 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.871 4.303 -2.287 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.890 2.820 -2.660 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.576 1.990 -1.573 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.532 2.609 -4.033 1.00 0.00 C ATOM 0 H LEU A 96 -7.574 6.642 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.335 4.241 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.882 4.600 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.602 4.877 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.860 2.471 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.576 0.939 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.038 2.107 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.603 2.332 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.533 1.546 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.557 2.978 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.963 3.152 -4.788 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.888 3.832 -0.192 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.535 3.303 -0.201 1.00 0.00 C ATOM 1450 C ALA A 97 -4.589 1.774 -0.210 1.00 0.00 C ATOM 1451 O ALA A 97 -5.667 1.187 -0.124 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.764 3.852 1.001 1.00 0.00 C ATOM 0 H ALA A 97 -6.303 3.927 0.735 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.006 3.619 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.749 3.455 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.729 4.940 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.264 3.553 1.922 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.413 1.173 -0.315 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.314 -0.277 -0.336 1.00 0.00 C ATOM 1460 C GLN A 98 -1.849 -0.710 -0.248 1.00 0.00 C ATOM 1461 O GLN A 98 -1.229 -1.027 -1.262 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.981 -0.854 -1.586 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.125 -2.374 -1.478 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.553 -2.980 -2.816 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.386 -2.395 -3.874 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.113 -4.182 -2.711 1.00 0.00 N ATOM 0 H GLN A 98 -2.521 1.663 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.842 -0.670 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.963 -0.401 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.390 -0.603 -2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.178 -2.811 -1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.860 -2.620 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.223 -4.615 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.433 -4.670 -3.547 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.337 -0.708 0.974 1.00 0.00 N ATOM 1476 CA TYR A 99 0.043 -1.096 1.208 1.00 0.00 C ATOM 1477 C TYR A 99 0.455 -2.243 0.283 1.00 0.00 C ATOM 1478 O TYR A 99 -0.263 -3.235 0.161 1.00 0.00 O ATOM 1479 CB TYR A 99 0.106 -1.579 2.659 1.00 0.00 C ATOM 1480 CG TYR A 99 1.504 -1.998 3.116 1.00 0.00 C ATOM 1481 CD1 TYR A 99 1.932 -3.296 2.929 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.339 -1.076 3.715 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.249 -3.690 3.359 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.655 -1.469 4.146 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.045 -2.757 3.946 1.00 0.00 C ATOM 1486 OH TYR A 99 5.289 -3.129 4.353 1.00 0.00 O ATOM 0 H TYR A 99 -1.854 -0.444 1.813 1.00 0.00 H new ATOM 0 HA TYR A 99 0.714 -0.259 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.255 -0.784 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.573 -2.423 2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.279 -4.017 2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.005 -0.059 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.596 -4.703 3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.317 -0.758 4.617 1.00 0.00 H new ATOM 0 HH TYR A 99 5.746 -2.360 4.754 1.00 0.00 H new ATOM 1496 N ASN A 100 1.608 -2.070 -0.345 1.00 0.00 N ATOM 1497 CA ASN A 100 2.123 -3.078 -1.256 1.00 0.00 C ATOM 1498 C ASN A 100 3.558 -3.431 -0.860 1.00 0.00 C ATOM 1499 O ASN A 100 4.449 -2.586 -0.922 1.00 0.00 O ATOM 1500 CB ASN A 100 2.144 -2.561 -2.696 1.00 0.00 C ATOM 1501 CG ASN A 100 0.961 -3.113 -3.493 1.00 0.00 C ATOM 1502 OD1 ASN A 100 -0.106 -3.381 -2.966 1.00 0.00 O ATOM 1503 ND2 ASN A 100 1.208 -3.267 -4.791 1.00 0.00 N ATOM 0 H ASN A 100 2.201 -1.246 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 100 1.472 -3.950 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.110 -1.472 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.078 -2.851 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.482 -3.629 -5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.124 -3.023 -5.168 1.00 0.00 H new ATOM 1510 N PRO A 101 3.742 -4.715 -0.450 1.00 0.00 N ATOM 1511 CA PRO A 101 5.054 -5.190 -0.044 1.00 0.00 C ATOM 1512 C PRO A 101 5.957 -5.412 -1.259 1.00 0.00 C ATOM 1513 O PRO A 101 6.503 -6.499 -1.441 1.00 0.00 O ATOM 1514 CB PRO A 101 4.785 -6.466 0.737 1.00 0.00 C ATOM 1515 CG PRO A 101 3.384 -6.907 0.346 1.00 0.00 C ATOM 1516 CD PRO A 101 2.710 -5.744 -0.363 1.00 0.00 C ATOM 0 HA PRO A 101 5.592 -4.468 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.518 -7.235 0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.853 -6.289 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.427 -7.779 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.815 -7.197 1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.356 -6.035 -1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.843 -5.389 0.194 1.00 0.00 H new