USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 847 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 59 LYS NZ :NH3+ -138:sc= 0.163 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.828 K(o=0.99,f=0) USER MOD Set 2.1: A 51 SER OG : rot 175:sc= 1.28 USER MOD Set 2.2: A 126 HIS : no HE2:sc= 1.04 K(o=2.3,f=-1.9) USER MOD Set 3.1: A 44 THR OG1 : rot -160:sc= 0.823 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 142:sc= 0.932 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot -160:sc= 0.815 USER MOD Set 4.2: A 52 LYS NZ :NH3+ -151:sc= 0.954 (180deg=0) USER MOD Single : A 12 CYS SG : rot 132:sc= -0.72 USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 2.42 (180deg=2.34) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.12) USER MOD Single : A 50 THR OG1 : rot 43:sc= 1.04 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.15) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 131:sc= 0.692 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0.835 K(o=0.84,f=-2.9!) USER MOD Single : A 103 SER OG : rot -31:sc= 0.00163 USER MOD Single : A 111 THR OG1 : rot -35:sc= 0.00389 USER MOD Single : A 120 ASN : amide:sc= -0.404 K(o=-0.4,f=-1.3) USER MOD Single : A 122 SER OG : rot 72:sc= 1.19 USER MOD Single : A 124 GLN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 128 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.886) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.349 9.286 7.383 1.00 0.00 N ATOM 187 CA SER A 9 -12.443 8.313 7.232 1.00 0.00 C ATOM 188 C SER A 9 -11.884 6.981 6.732 1.00 0.00 C ATOM 189 O SER A 9 -11.453 6.872 5.585 1.00 0.00 O ATOM 190 CB SER A 9 -13.532 8.840 6.284 1.00 0.00 C ATOM 191 OG SER A 9 -14.566 9.472 7.021 1.00 0.00 O ATOM 0 HA SER A 9 -12.907 8.159 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.097 9.546 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.944 8.017 5.700 1.00 0.00 H new ATOM 0 HG SER A 9 -15.377 9.517 6.473 1.00 0.00 H new ATOM 197 N VAL A 10 -11.861 5.964 7.596 1.00 0.00 N ATOM 198 CA VAL A 10 -11.441 4.595 7.256 1.00 0.00 C ATOM 199 C VAL A 10 -12.307 3.952 6.169 1.00 0.00 C ATOM 200 O VAL A 10 -13.515 4.184 6.076 1.00 0.00 O ATOM 201 CB VAL A 10 -11.395 3.680 8.495 1.00 0.00 C ATOM 202 CG1 VAL A 10 -10.048 3.800 9.208 1.00 0.00 C ATOM 203 CG2 VAL A 10 -12.537 3.897 9.494 1.00 0.00 C ATOM 0 H VAL A 10 -12.139 6.067 8.572 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.432 4.698 6.856 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.527 2.671 8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.038 3.145 10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.248 3.509 8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.896 4.831 9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.422 3.210 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.510 4.924 9.860 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.492 3.712 9.001 1.00 0.00 H new ATOM 213 N LEU A 11 -11.658 3.107 5.365 1.00 0.00 N ATOM 214 CA LEU A 11 -12.227 2.349 4.248 1.00 0.00 C ATOM 215 C LEU A 11 -11.976 0.844 4.441 1.00 0.00 C ATOM 216 O LEU A 11 -12.862 0.029 4.187 1.00 0.00 O ATOM 217 CB LEU A 11 -11.603 2.850 2.927 1.00 0.00 C ATOM 218 CG LEU A 11 -11.842 4.339 2.605 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.091 4.717 1.330 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.324 4.659 2.402 1.00 0.00 C ATOM 0 H LEU A 11 -10.662 2.922 5.483 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.305 2.503 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.528 2.671 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.999 2.250 2.107 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.480 4.912 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.262 5.770 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.024 4.545 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.450 4.106 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.440 5.719 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.714 4.068 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.876 4.418 3.310 1.00 0.00 H new ATOM 232 N CYS A 12 -10.788 0.490 4.948 1.00 0.00 N ATOM 233 CA CYS A 12 -10.427 -0.853 5.398 1.00 0.00 C ATOM 234 C CYS A 12 -9.301 -0.792 6.433 1.00 0.00 C ATOM 235 O CYS A 12 -8.424 0.066 6.371 1.00 0.00 O ATOM 236 CB CYS A 12 -10.022 -1.698 4.188 1.00 0.00 C ATOM 237 SG CYS A 12 -9.914 -3.449 4.650 1.00 0.00 S ATOM 0 H CYS A 12 -10.026 1.159 5.059 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.287 -1.317 5.880 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.750 -1.571 3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.061 -1.357 3.803 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.555 -4.168 3.777 1.00 0.00 H new ATOM 243 N VAL A 13 -9.320 -1.727 7.375 1.00 0.00 N ATOM 244 CA VAL A 13 -8.275 -1.933 8.392 1.00 0.00 C ATOM 245 C VAL A 13 -8.004 -3.434 8.528 1.00 0.00 C ATOM 246 O VAL A 13 -8.939 -4.204 8.766 1.00 0.00 O ATOM 247 CB VAL A 13 -8.672 -1.302 9.749 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.597 -1.505 10.826 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.905 0.212 9.630 1.00 0.00 C ATOM 0 H VAL A 13 -10.089 -2.392 7.462 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.361 -1.432 8.074 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.592 -1.811 10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.924 -1.044 11.758 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.438 -2.572 10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.665 -1.044 10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.182 0.615 10.604 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.991 0.695 9.284 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.708 0.402 8.918 1.00 0.00 H new ATOM 259 N LYS A 14 -6.739 -3.859 8.376 1.00 0.00 N ATOM 260 CA LYS A 14 -6.304 -5.264 8.509 1.00 0.00 C ATOM 261 C LYS A 14 -5.124 -5.425 9.484 1.00 0.00 C ATOM 262 O LYS A 14 -4.237 -4.569 9.506 1.00 0.00 O ATOM 263 CB LYS A 14 -5.999 -5.898 7.139 1.00 0.00 C ATOM 264 CG LYS A 14 -7.225 -5.873 6.215 1.00 0.00 C ATOM 265 CD LYS A 14 -6.984 -6.683 4.935 1.00 0.00 C ATOM 266 CE LYS A 14 -8.153 -6.528 3.958 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.388 -7.171 4.466 1.00 0.00 N ATOM 0 H LYS A 14 -5.972 -3.224 8.153 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.143 -5.809 8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.176 -5.363 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.671 -6.928 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.088 -6.276 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.464 -4.842 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.061 -6.351 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.853 -7.736 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.341 -5.469 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.884 -6.967 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.146 -7.073 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.207 -8.180 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.679 -6.712 5.353 1.00 0.00 H new ATOM 281 N PRO A 15 -5.079 -6.513 10.275 1.00 0.00 N ATOM 282 CA PRO A 15 -4.093 -6.705 11.346 1.00 0.00 C ATOM 283 C PRO A 15 -2.680 -7.099 10.886 1.00 0.00 C ATOM 284 O PRO A 15 -1.738 -6.964 11.665 1.00 0.00 O ATOM 285 CB PRO A 15 -4.667 -7.825 12.215 1.00 0.00 C ATOM 286 CG PRO A 15 -5.498 -8.641 11.224 1.00 0.00 C ATOM 287 CD PRO A 15 -6.080 -7.569 10.322 1.00 0.00 C ATOM 0 HA PRO A 15 -3.951 -5.753 11.857 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.880 -8.425 12.671 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.279 -7.432 13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.885 -9.350 10.668 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.277 -9.217 11.725 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.282 -7.962 9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.025 -7.196 10.716 1.00 0.00 H new ATOM 295 N ASP A 16 -2.521 -7.615 9.662 1.00 0.00 N ATOM 296 CA ASP A 16 -1.261 -8.183 9.171 1.00 0.00 C ATOM 297 C ASP A 16 -0.903 -7.650 7.777 1.00 0.00 C ATOM 298 O ASP A 16 -1.553 -7.970 6.777 1.00 0.00 O ATOM 299 CB ASP A 16 -1.339 -9.719 9.165 1.00 0.00 C ATOM 300 CG ASP A 16 -1.262 -10.312 10.582 1.00 0.00 C ATOM 301 OD1 ASP A 16 -0.143 -10.375 11.147 1.00 0.00 O ATOM 302 OD2 ASP A 16 -2.307 -10.754 11.116 1.00 0.00 O ATOM 0 H ASP A 16 -3.275 -7.650 8.975 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.466 -7.873 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.270 -10.032 8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.525 -10.120 8.561 1.00 0.00 H new ATOM 307 N VAL A 17 0.168 -6.859 7.721 1.00 0.00 N ATOM 308 CA VAL A 17 0.835 -6.400 6.493 1.00 0.00 C ATOM 309 C VAL A 17 2.350 -6.300 6.722 1.00 0.00 C ATOM 310 O VAL A 17 2.805 -5.936 7.813 1.00 0.00 O ATOM 311 CB VAL A 17 0.213 -5.081 5.977 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.456 -3.877 6.893 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.704 -4.720 4.573 1.00 0.00 C ATOM 0 H VAL A 17 0.618 -6.503 8.564 1.00 0.00 H new ATOM 0 HA VAL A 17 0.676 -7.135 5.704 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.857 -5.286 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.011 -2.992 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.024 -4.073 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.528 -3.708 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.240 -3.787 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.787 -4.601 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.435 -5.515 3.878 1.00 0.00 H new ATOM 323 N SER A 18 3.136 -6.637 5.696 1.00 0.00 N ATOM 324 CA SER A 18 4.603 -6.748 5.778 1.00 0.00 C ATOM 325 C SER A 18 5.281 -5.903 4.702 1.00 0.00 C ATOM 326 O SER A 18 4.942 -6.039 3.528 1.00 0.00 O ATOM 327 CB SER A 18 5.032 -8.212 5.626 1.00 0.00 C ATOM 328 OG SER A 18 4.423 -9.029 6.615 1.00 0.00 O ATOM 0 H SER A 18 2.769 -6.845 4.767 1.00 0.00 H new ATOM 0 HA SER A 18 4.912 -6.377 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.760 -8.573 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.117 -8.286 5.706 1.00 0.00 H new ATOM 0 HG SER A 18 4.712 -9.958 6.495 1.00 0.00 H new ATOM 334 N VAL A 19 6.229 -5.044 5.090 1.00 0.00 N ATOM 335 CA VAL A 19 6.955 -4.115 4.203 1.00 0.00 C ATOM 336 C VAL A 19 8.276 -4.690 3.729 1.00 0.00 C ATOM 337 O VAL A 19 9.064 -5.221 4.512 1.00 0.00 O ATOM 338 CB VAL A 19 7.173 -2.735 4.855 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.084 -1.796 4.042 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.839 -2.008 5.012 1.00 0.00 C ATOM 0 H VAL A 19 6.526 -4.970 6.063 1.00 0.00 H new ATOM 0 HA VAL A 19 6.317 -3.976 3.330 1.00 0.00 H new ATOM 0 HB VAL A 19 7.650 -2.950 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.188 -0.846 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.066 -2.254 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.644 -1.622 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.007 -1.035 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.382 -1.871 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.175 -2.599 5.643 1.00 0.00 H new ATOM 350 N TYR A 20 8.554 -4.469 2.448 1.00 0.00 N ATOM 351 CA TYR A 20 9.841 -4.713 1.820 1.00 0.00 C ATOM 352 C TYR A 20 10.276 -3.463 1.053 1.00 0.00 C ATOM 353 O TYR A 20 9.549 -2.953 0.198 1.00 0.00 O ATOM 354 CB TYR A 20 9.766 -5.934 0.891 1.00 0.00 C ATOM 355 CG TYR A 20 8.834 -7.039 1.345 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.527 -7.107 0.828 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.257 -7.963 2.313 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.638 -8.103 1.275 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.372 -8.956 2.770 1.00 0.00 C ATOM 360 CZ TYR A 20 7.059 -9.027 2.259 1.00 0.00 C ATOM 361 OH TYR A 20 6.217 -9.994 2.714 1.00 0.00 O ATOM 0 H TYR A 20 7.860 -4.101 1.797 1.00 0.00 H new ATOM 0 HA TYR A 20 10.583 -4.930 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.451 -5.599 -0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.768 -6.349 0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.205 -6.392 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.261 -7.912 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.639 -8.161 0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.699 -9.667 3.515 1.00 0.00 H new ATOM 0 HH TYR A 20 6.677 -10.538 3.387 1.00 0.00 H new ATOM 371 N ARG A 21 11.485 -2.977 1.330 1.00 0.00 N ATOM 372 CA ARG A 21 12.159 -1.990 0.472 1.00 0.00 C ATOM 373 C ARG A 21 12.562 -2.661 -0.851 1.00 0.00 C ATOM 374 O ARG A 21 13.302 -3.647 -0.848 1.00 0.00 O ATOM 375 CB ARG A 21 13.344 -1.368 1.227 1.00 0.00 C ATOM 376 CG ARG A 21 13.885 -0.138 0.487 1.00 0.00 C ATOM 377 CD ARG A 21 15.029 0.512 1.273 1.00 0.00 C ATOM 378 NE ARG A 21 15.564 1.698 0.572 1.00 0.00 N ATOM 379 CZ ARG A 21 15.162 2.953 0.690 1.00 0.00 C ATOM 380 NH1 ARG A 21 15.747 3.895 0.009 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.181 3.303 1.475 1.00 0.00 N ATOM 0 H ARG A 21 12.027 -3.251 2.150 1.00 0.00 H new ATOM 0 HA ARG A 21 11.487 -1.169 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.030 -1.083 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.137 -2.107 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.237 -0.429 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.083 0.585 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.673 0.802 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.828 -0.214 1.422 1.00 0.00 H new ATOM 0 HE ARG A 21 16.332 1.530 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.518 3.667 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.434 4.861 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.693 2.598 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.902 4.282 1.537 1.00 0.00 H new ATOM 395 N ILE A 22 12.037 -2.161 -1.970 1.00 0.00 N ATOM 396 CA ILE A 22 12.104 -2.824 -3.288 1.00 0.00 C ATOM 397 C ILE A 22 13.330 -2.401 -4.122 1.00 0.00 C ATOM 398 O ILE A 22 13.813 -1.274 -3.965 1.00 0.00 O ATOM 399 CB ILE A 22 10.789 -2.624 -4.080 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.519 -1.142 -4.424 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.610 -3.258 -3.325 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.225 -0.942 -5.216 1.00 0.00 C ATOM 0 H ILE A 22 11.543 -1.269 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 22 12.228 -3.888 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 22 10.902 -3.135 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.468 -0.563 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.357 -0.749 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.692 -3.110 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.790 -4.326 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.510 -2.789 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.089 0.118 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.283 -1.495 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.380 -1.306 -4.631 1.00 0.00 H new ATOM 532 N TYR A 31 8.078 -5.476 -11.109 1.00 0.00 N ATOM 533 CA TYR A 31 8.055 -6.008 -9.750 1.00 0.00 C ATOM 534 C TYR A 31 7.356 -7.366 -9.761 1.00 0.00 C ATOM 535 O TYR A 31 6.267 -7.478 -10.306 1.00 0.00 O ATOM 536 CB TYR A 31 7.316 -5.038 -8.833 1.00 0.00 C ATOM 537 CG TYR A 31 7.826 -3.614 -8.806 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.932 -2.600 -8.418 1.00 0.00 C ATOM 539 CD2 TYR A 31 9.163 -3.293 -9.126 1.00 0.00 C ATOM 540 CE1 TYR A 31 7.373 -1.268 -8.322 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.616 -1.972 -8.978 1.00 0.00 C ATOM 542 CZ TYR A 31 8.721 -0.949 -8.591 1.00 0.00 C ATOM 543 OH TYR A 31 9.164 0.333 -8.470 1.00 0.00 O ATOM 0 HA TYR A 31 9.073 -6.130 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.267 -5.019 -9.130 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.353 -5.433 -7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.904 -2.845 -8.193 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.834 -4.060 -9.483 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.680 -0.489 -8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.654 -1.737 -9.161 1.00 0.00 H new ATOM 0 HH TYR A 31 10.118 0.372 -8.692 1.00 0.00 H new ATOM 553 N ARG A 32 7.940 -8.399 -9.156 1.00 0.00 N ATOM 554 CA ARG A 32 7.455 -9.796 -9.261 1.00 0.00 C ATOM 555 C ARG A 32 7.264 -10.485 -7.919 1.00 0.00 C ATOM 556 O ARG A 32 7.199 -11.707 -7.869 1.00 0.00 O ATOM 557 CB ARG A 32 8.313 -10.623 -10.245 1.00 0.00 C ATOM 558 CG ARG A 32 9.821 -10.624 -9.950 1.00 0.00 C ATOM 559 CD ARG A 32 10.541 -9.467 -10.660 1.00 0.00 C ATOM 560 NE ARG A 32 10.745 -9.719 -12.096 1.00 0.00 N ATOM 561 CZ ARG A 32 11.662 -10.486 -12.652 1.00 0.00 C ATOM 562 NH1 ARG A 32 11.693 -10.598 -13.948 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.548 -11.145 -11.959 1.00 0.00 N ATOM 0 H ARG A 32 8.770 -8.301 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 32 6.451 -9.735 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.956 -11.653 -10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.156 -10.238 -11.253 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.981 -10.547 -8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.253 -11.572 -10.269 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.961 -8.553 -10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.507 -9.299 -10.184 1.00 0.00 H new ATOM 0 HE ARG A 32 10.104 -9.246 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.014 -10.096 -14.520 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.397 -11.188 -14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.551 -11.079 -10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.238 -11.726 -12.435 1.00 0.00 H new ATOM 577 N ALA A 33 7.181 -9.695 -6.849 1.00 0.00 N ATOM 578 CA ALA A 33 7.162 -10.091 -5.439 1.00 0.00 C ATOM 579 C ALA A 33 8.377 -10.929 -4.962 1.00 0.00 C ATOM 580 O ALA A 33 8.998 -10.591 -3.957 1.00 0.00 O ATOM 581 CB ALA A 33 5.800 -10.736 -5.178 1.00 0.00 C ATOM 0 H ALA A 33 7.121 -8.682 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 33 7.283 -9.204 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.739 -11.048 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.010 -10.015 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.679 -11.605 -5.825 1.00 0.00 H new ATOM 587 N SER A 34 8.784 -11.965 -5.698 1.00 0.00 N ATOM 588 CA SER A 34 9.894 -12.878 -5.381 1.00 0.00 C ATOM 589 C SER A 34 11.286 -12.228 -5.398 1.00 0.00 C ATOM 590 O SER A 34 12.228 -12.788 -4.833 1.00 0.00 O ATOM 591 CB SER A 34 9.885 -14.061 -6.358 1.00 0.00 C ATOM 592 OG SER A 34 8.655 -14.764 -6.277 1.00 0.00 O ATOM 0 H SER A 34 8.327 -12.206 -6.578 1.00 0.00 H new ATOM 0 HA SER A 34 9.720 -13.202 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.038 -13.701 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.711 -14.735 -6.130 1.00 0.00 H new ATOM 0 HG SER A 34 8.665 -15.514 -6.907 1.00 0.00 H new ATOM 598 N ASP A 35 11.433 -11.049 -6.012 1.00 0.00 N ATOM 599 CA ASP A 35 12.663 -10.241 -5.963 1.00 0.00 C ATOM 600 C ASP A 35 12.723 -9.294 -4.743 1.00 0.00 C ATOM 601 O ASP A 35 13.724 -8.602 -4.543 1.00 0.00 O ATOM 602 CB ASP A 35 12.855 -9.503 -7.300 1.00 0.00 C ATOM 603 CG ASP A 35 13.583 -10.395 -8.322 1.00 0.00 C ATOM 604 OD1 ASP A 35 12.915 -11.017 -9.180 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.834 -10.468 -8.273 1.00 0.00 O ATOM 0 H ASP A 35 10.692 -10.620 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 35 13.503 -10.921 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.885 -9.205 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.427 -8.589 -7.137 1.00 0.00 H new ATOM 610 N TRP A 36 11.680 -9.266 -3.905 1.00 0.00 N ATOM 611 CA TRP A 36 11.636 -8.546 -2.637 1.00 0.00 C ATOM 612 C TRP A 36 12.063 -9.466 -1.475 1.00 0.00 C ATOM 613 O TRP A 36 12.173 -10.688 -1.619 1.00 0.00 O ATOM 614 CB TRP A 36 10.220 -7.988 -2.416 1.00 0.00 C ATOM 615 CG TRP A 36 9.549 -7.207 -3.517 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.101 -6.719 -4.656 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.153 -6.780 -3.551 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.148 -6.030 -5.386 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.946 -5.981 -4.714 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.045 -6.974 -2.697 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.727 -5.346 -4.976 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.813 -6.347 -2.954 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.658 -5.527 -4.083 1.00 0.00 C ATOM 0 H TRP A 36 10.813 -9.765 -4.104 1.00 0.00 H new ATOM 0 HA TRP A 36 12.339 -7.713 -2.669 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.572 -8.830 -2.171 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.256 -7.346 -1.536 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.132 -6.849 -4.950 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.314 -5.613 -6.302 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.146 -7.614 -1.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.610 -4.726 -5.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.982 -6.497 -2.280 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.714 -5.034 -4.265 1.00 0.00 H new ATOM 634 N LYS A 37 12.281 -8.883 -0.293 1.00 0.00 N ATOM 635 CA LYS A 37 12.733 -9.566 0.936 1.00 0.00 C ATOM 636 C LYS A 37 11.633 -10.358 1.666 1.00 0.00 C ATOM 637 O LYS A 37 11.432 -10.201 2.869 1.00 0.00 O ATOM 638 CB LYS A 37 13.428 -8.545 1.853 1.00 0.00 C ATOM 639 CG LYS A 37 14.789 -8.060 1.346 1.00 0.00 C ATOM 640 CD LYS A 37 15.804 -9.205 1.193 1.00 0.00 C ATOM 641 CE LYS A 37 17.237 -8.763 1.504 1.00 0.00 C ATOM 642 NZ LYS A 37 17.767 -7.795 0.507 1.00 0.00 N ATOM 0 H LYS A 37 12.144 -7.882 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 37 13.447 -10.334 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.773 -7.683 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.560 -8.991 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.659 -7.564 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.186 -7.317 2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.527 -10.023 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.759 -9.592 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.266 -8.311 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.885 -9.639 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.739 -7.529 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.766 -8.233 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.167 -6.946 0.495 1.00 0.00 H new ATOM 656 N LEU A 38 10.949 -11.255 0.958 1.00 0.00 N ATOM 657 CA LEU A 38 9.804 -12.027 1.469 1.00 0.00 C ATOM 658 C LEU A 38 10.104 -12.892 2.710 1.00 0.00 C ATOM 659 O LEU A 38 9.179 -13.241 3.442 1.00 0.00 O ATOM 660 CB LEU A 38 9.251 -12.921 0.347 1.00 0.00 C ATOM 661 CG LEU A 38 8.812 -12.179 -0.926 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.181 -13.194 -1.884 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.800 -11.071 -0.646 1.00 0.00 C ATOM 0 H LEU A 38 11.177 -11.475 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 38 9.072 -11.288 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.014 -13.652 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.399 -13.478 0.735 1.00 0.00 H new ATOM 0 HG LEU A 38 9.696 -11.709 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.863 -12.686 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.913 -13.962 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.318 -13.657 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.527 -10.583 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.909 -11.499 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.240 -10.339 0.031 1.00 0.00 H new ATOM 675 N ASP A 39 11.375 -13.223 2.965 1.00 0.00 N ATOM 676 CA ASP A 39 11.793 -14.022 4.133 1.00 0.00 C ATOM 677 C ASP A 39 12.374 -13.163 5.280 1.00 0.00 C ATOM 678 O ASP A 39 12.672 -13.680 6.359 1.00 0.00 O ATOM 679 CB ASP A 39 12.741 -15.136 3.659 1.00 0.00 C ATOM 680 CG ASP A 39 12.974 -16.226 4.721 1.00 0.00 C ATOM 681 OD1 ASP A 39 14.150 -16.531 5.036 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.984 -16.833 5.200 1.00 0.00 O ATOM 0 H ASP A 39 12.151 -12.944 2.365 1.00 0.00 H new ATOM 0 HA ASP A 39 10.912 -14.485 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.330 -15.596 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.699 -14.696 3.383 1.00 0.00 H new ATOM 687 N GLN A 40 12.511 -11.846 5.070 1.00 0.00 N ATOM 688 CA GLN A 40 12.947 -10.872 6.084 1.00 0.00 C ATOM 689 C GLN A 40 12.394 -9.453 5.794 1.00 0.00 C ATOM 690 O GLN A 40 13.116 -8.617 5.240 1.00 0.00 O ATOM 691 CB GLN A 40 14.489 -10.880 6.245 1.00 0.00 C ATOM 692 CG GLN A 40 15.332 -10.918 4.954 1.00 0.00 C ATOM 693 CD GLN A 40 15.661 -12.332 4.470 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.149 -13.182 5.203 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.452 -12.638 3.205 1.00 0.00 N ATOM 0 H GLN A 40 12.317 -11.416 4.166 1.00 0.00 H new ATOM 0 HA GLN A 40 12.524 -11.180 7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.774 -9.992 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.761 -11.744 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.795 -10.390 4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.263 -10.377 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.046 -11.947 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.696 -13.566 2.858 1.00 0.00 H new ATOM 704 N PRO A 41 11.132 -9.146 6.169 1.00 0.00 N ATOM 705 CA PRO A 41 10.554 -7.806 6.029 1.00 0.00 C ATOM 706 C PRO A 41 11.427 -6.710 6.654 1.00 0.00 C ATOM 707 O PRO A 41 12.044 -6.904 7.705 1.00 0.00 O ATOM 708 CB PRO A 41 9.179 -7.854 6.710 1.00 0.00 C ATOM 709 CG PRO A 41 8.806 -9.336 6.661 1.00 0.00 C ATOM 710 CD PRO A 41 10.154 -10.051 6.757 1.00 0.00 C ATOM 0 HA PRO A 41 10.479 -7.548 4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.226 -7.486 7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.449 -7.239 6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.147 -9.611 7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.284 -9.587 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.404 -10.275 7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.131 -11.001 6.223 1.00 0.00 H new ATOM 718 N ASP A 42 11.426 -5.527 6.040 1.00 0.00 N ATOM 719 CA ASP A 42 12.022 -4.320 6.625 1.00 0.00 C ATOM 720 C ASP A 42 11.215 -3.840 7.848 1.00 0.00 C ATOM 721 O ASP A 42 11.784 -3.316 8.809 1.00 0.00 O ATOM 722 CB ASP A 42 12.096 -3.234 5.542 1.00 0.00 C ATOM 723 CG ASP A 42 12.828 -1.978 6.045 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.067 -2.039 6.235 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.173 -0.925 6.226 1.00 0.00 O ATOM 0 H ASP A 42 11.011 -5.375 5.120 1.00 0.00 H new ATOM 0 HA ASP A 42 13.028 -4.544 6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.610 -3.628 4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.088 -2.966 5.226 1.00 0.00 H new ATOM 730 N TRP A 43 9.896 -4.073 7.828 1.00 0.00 N ATOM 731 CA TRP A 43 8.961 -3.809 8.932 1.00 0.00 C ATOM 732 C TRP A 43 7.695 -4.682 8.807 1.00 0.00 C ATOM 733 O TRP A 43 7.332 -5.094 7.705 1.00 0.00 O ATOM 734 CB TRP A 43 8.622 -2.309 8.921 1.00 0.00 C ATOM 735 CG TRP A 43 7.522 -1.851 9.825 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.663 -1.323 11.062 1.00 0.00 C ATOM 737 CD2 TRP A 43 6.092 -1.822 9.541 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.423 -0.949 11.550 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.422 -1.201 10.636 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.300 -2.260 8.460 1.00 0.00 C ATOM 741 CZ2 TRP A 43 4.039 -0.971 10.627 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.914 -2.016 8.438 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.281 -1.372 9.515 1.00 0.00 C ATOM 0 H TRP A 43 9.431 -4.466 7.010 1.00 0.00 H new ATOM 0 HA TRP A 43 9.421 -4.070 9.885 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.525 -1.757 9.181 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.360 -2.029 7.901 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.599 -1.210 11.588 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.269 -0.538 12.471 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.762 -2.789 7.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.561 -0.490 11.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.330 -2.327 7.584 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.217 -1.187 9.488 1.00 0.00 H new ATOM 754 N THR A 44 6.992 -4.938 9.917 1.00 0.00 N ATOM 755 CA THR A 44 5.649 -5.556 9.928 1.00 0.00 C ATOM 756 C THR A 44 4.689 -4.839 10.877 1.00 0.00 C ATOM 757 O THR A 44 5.095 -4.316 11.918 1.00 0.00 O ATOM 758 CB THR A 44 5.672 -7.048 10.299 1.00 0.00 C ATOM 759 OG1 THR A 44 6.265 -7.277 11.562 1.00 0.00 O ATOM 760 CG2 THR A 44 6.416 -7.903 9.283 1.00 0.00 C ATOM 0 H THR A 44 7.341 -4.720 10.850 1.00 0.00 H new ATOM 0 HA THR A 44 5.295 -5.456 8.902 1.00 0.00 H new ATOM 0 HB THR A 44 4.621 -7.338 10.317 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.548 -8.213 11.626 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.397 -8.945 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.935 -7.812 8.309 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.450 -7.565 9.210 1.00 0.00 H new ATOM 768 N GLY A 45 3.396 -4.853 10.545 1.00 0.00 N ATOM 769 CA GLY A 45 2.352 -4.220 11.353 1.00 0.00 C ATOM 770 C GLY A 45 0.954 -4.337 10.748 1.00 0.00 C ATOM 771 O GLY A 45 0.609 -5.363 10.159 1.00 0.00 O ATOM 0 H GLY A 45 3.042 -5.307 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.348 -4.672 12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.595 -3.166 11.484 1.00 0.00 H new ATOM 775 N ARG A 46 0.149 -3.284 10.921 1.00 0.00 N ATOM 776 CA ARG A 46 -1.263 -3.183 10.518 1.00 0.00 C ATOM 777 C ARG A 46 -1.454 -2.252 9.320 1.00 0.00 C ATOM 778 O ARG A 46 -0.723 -1.275 9.145 1.00 0.00 O ATOM 779 CB ARG A 46 -2.119 -2.697 11.698 1.00 0.00 C ATOM 780 CG ARG A 46 -1.985 -3.550 12.968 1.00 0.00 C ATOM 781 CD ARG A 46 -2.980 -3.127 14.058 1.00 0.00 C ATOM 782 NE ARG A 46 -2.654 -1.803 14.624 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.180 -0.629 14.325 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.737 0.422 14.942 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.100 -0.463 13.417 1.00 0.00 N ATOM 0 H ARG A 46 0.480 -2.431 11.371 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.586 -4.180 10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.843 -1.669 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.165 -2.683 11.392 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.146 -4.599 12.718 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.969 -3.467 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.987 -3.104 13.640 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.982 -3.871 14.855 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.927 -1.794 15.340 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.999 0.330 15.640 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.127 1.340 14.729 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.451 -1.265 12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.469 0.469 13.229 1.00 0.00 H new ATOM 799 N LEU A 47 -2.483 -2.541 8.533 1.00 0.00 N ATOM 800 CA LEU A 47 -2.970 -1.742 7.412 1.00 0.00 C ATOM 801 C LEU A 47 -4.109 -0.820 7.864 1.00 0.00 C ATOM 802 O LEU A 47 -5.034 -1.282 8.533 1.00 0.00 O ATOM 803 CB LEU A 47 -3.474 -2.719 6.336 1.00 0.00 C ATOM 804 CG LEU A 47 -4.136 -2.060 5.111 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.135 -1.271 4.266 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.762 -3.151 4.251 1.00 0.00 C ATOM 0 H LEU A 47 -3.033 -3.389 8.667 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.172 -1.113 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.634 -3.323 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.191 -3.401 6.794 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.889 -1.358 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.649 -0.825 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.688 -0.483 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.353 -1.941 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.235 -2.700 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.988 -3.846 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.511 -3.688 4.833 1.00 0.00 H new ATOM 818 N ARG A 48 -4.105 0.430 7.395 1.00 0.00 N ATOM 819 CA ARG A 48 -5.237 1.365 7.449 1.00 0.00 C ATOM 820 C ARG A 48 -5.397 2.060 6.094 1.00 0.00 C ATOM 821 O ARG A 48 -4.623 2.944 5.742 1.00 0.00 O ATOM 822 CB ARG A 48 -5.008 2.373 8.596 1.00 0.00 C ATOM 823 CG ARG A 48 -6.218 3.300 8.805 1.00 0.00 C ATOM 824 CD ARG A 48 -5.916 4.551 9.636 1.00 0.00 C ATOM 825 NE ARG A 48 -5.556 4.255 11.037 1.00 0.00 N ATOM 826 CZ ARG A 48 -5.692 5.074 12.066 1.00 0.00 C ATOM 827 NH1 ARG A 48 -5.408 4.674 13.271 1.00 0.00 N ATOM 828 NH2 ARG A 48 -6.093 6.305 11.939 1.00 0.00 N ATOM 0 H ARG A 48 -3.282 0.837 6.950 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.164 0.829 7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.804 1.830 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.125 2.974 8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.598 3.608 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.013 2.736 9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.099 5.100 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.788 5.205 9.624 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.166 3.332 11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.077 3.722 13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.516 5.313 14.059 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.318 6.675 11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.183 6.900 12.763 1.00 0.00 H new ATOM 842 N ILE A 49 -6.419 1.679 5.338 1.00 0.00 N ATOM 843 CA ILE A 49 -6.885 2.428 4.167 1.00 0.00 C ATOM 844 C ILE A 49 -7.891 3.474 4.648 1.00 0.00 C ATOM 845 O ILE A 49 -8.828 3.163 5.388 1.00 0.00 O ATOM 846 CB ILE A 49 -7.498 1.522 3.078 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.664 0.248 2.825 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.644 2.351 1.787 1.00 0.00 C ATOM 849 CD1 ILE A 49 -7.279 -0.659 1.757 1.00 0.00 C ATOM 0 H ILE A 49 -6.957 0.832 5.519 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.029 2.908 3.693 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.473 1.175 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.658 0.533 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.568 -0.309 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.076 1.730 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.296 3.204 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.664 2.706 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.650 -1.539 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.275 -0.970 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.351 -0.115 0.815 1.00 0.00 H new ATOM 861 N THR A 50 -7.697 4.712 4.214 1.00 0.00 N ATOM 862 CA THR A 50 -8.386 5.913 4.705 1.00 0.00 C ATOM 863 C THR A 50 -8.643 6.895 3.562 1.00 0.00 C ATOM 864 O THR A 50 -8.052 6.771 2.493 1.00 0.00 O ATOM 865 CB THR A 50 -7.568 6.599 5.828 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.224 6.173 5.928 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.171 6.298 7.194 1.00 0.00 C ATOM 0 H THR A 50 -7.025 4.923 3.476 1.00 0.00 H new ATOM 0 HA THR A 50 -9.346 5.603 5.119 1.00 0.00 H new ATOM 0 HB THR A 50 -7.598 7.654 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.835 6.106 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.581 6.789 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.196 6.668 7.229 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.168 5.221 7.364 1.00 0.00 H new ATOM 875 N SER A 51 -9.514 7.885 3.757 1.00 0.00 N ATOM 876 CA SER A 51 -9.731 8.999 2.826 1.00 0.00 C ATOM 877 C SER A 51 -10.370 10.187 3.535 1.00 0.00 C ATOM 878 O SER A 51 -11.035 10.009 4.554 1.00 0.00 O ATOM 879 CB SER A 51 -10.626 8.536 1.669 1.00 0.00 C ATOM 880 OG SER A 51 -10.889 9.582 0.747 1.00 0.00 O ATOM 0 H SER A 51 -10.105 7.938 4.587 1.00 0.00 H new ATOM 0 HA SER A 51 -8.764 9.317 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.146 7.707 1.149 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.568 8.159 2.068 1.00 0.00 H new ATOM 0 HG SER A 51 -11.393 9.227 -0.015 1.00 0.00 H new ATOM 886 N LYS A 52 -10.200 11.388 2.979 1.00 0.00 N ATOM 887 CA LYS A 52 -11.140 12.505 3.133 1.00 0.00 C ATOM 888 C LYS A 52 -11.160 13.377 1.872 1.00 0.00 C ATOM 889 O LYS A 52 -10.121 13.814 1.374 1.00 0.00 O ATOM 890 CB LYS A 52 -10.818 13.332 4.385 1.00 0.00 C ATOM 891 CG LYS A 52 -11.475 12.878 5.697 1.00 0.00 C ATOM 892 CD LYS A 52 -12.991 12.666 5.678 1.00 0.00 C ATOM 893 CE LYS A 52 -13.405 12.500 7.142 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.865 12.272 7.288 1.00 0.00 N ATOM 0 H LYS A 52 -9.393 11.618 2.399 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.140 12.091 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.737 13.329 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.112 14.364 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.006 11.943 6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.246 13.618 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.499 13.515 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.256 11.785 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.862 11.662 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.120 13.391 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.184 12.641 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.371 12.763 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.064 11.253 7.236 1.00 0.00 H new ATOM 908 N GLY A 53 -12.364 13.623 1.360 1.00 0.00 N ATOM 909 CA GLY A 53 -12.636 14.376 0.141 1.00 0.00 C ATOM 910 C GLY A 53 -12.352 13.512 -1.081 1.00 0.00 C ATOM 911 O GLY A 53 -12.857 12.393 -1.200 1.00 0.00 O ATOM 0 H GLY A 53 -13.217 13.286 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.675 14.704 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.018 15.274 0.113 1.00 0.00 H new ATOM 915 N LYS A 54 -11.506 14.031 -1.969 1.00 0.00 N ATOM 916 CA LYS A 54 -11.037 13.368 -3.194 1.00 0.00 C ATOM 917 C LYS A 54 -9.597 12.849 -3.075 1.00 0.00 C ATOM 918 O LYS A 54 -8.920 12.632 -4.080 1.00 0.00 O ATOM 919 CB LYS A 54 -11.259 14.330 -4.364 1.00 0.00 C ATOM 920 CG LYS A 54 -12.750 14.525 -4.678 1.00 0.00 C ATOM 921 CD LYS A 54 -12.948 15.493 -5.851 1.00 0.00 C ATOM 922 CE LYS A 54 -14.445 15.686 -6.107 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.693 16.640 -7.221 1.00 0.00 N ATOM 0 H LYS A 54 -11.109 14.964 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.616 12.462 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.809 15.295 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.750 13.948 -5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.203 13.563 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.263 14.909 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.480 16.452 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.463 15.102 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.901 14.724 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.925 16.053 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.717 16.746 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.279 17.565 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.256 16.277 -8.092 1.00 0.00 H new ATOM 937 N THR A 55 -9.141 12.628 -1.843 1.00 0.00 N ATOM 938 CA THR A 55 -7.808 12.107 -1.520 1.00 0.00 C ATOM 939 C THR A 55 -7.938 10.902 -0.597 1.00 0.00 C ATOM 940 O THR A 55 -8.540 10.997 0.476 1.00 0.00 O ATOM 941 CB THR A 55 -6.934 13.193 -0.871 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.937 14.369 -1.657 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.479 12.740 -0.764 1.00 0.00 C ATOM 0 H THR A 55 -9.705 12.812 -1.013 1.00 0.00 H new ATOM 0 HA THR A 55 -7.321 11.797 -2.445 1.00 0.00 H new ATOM 0 HB THR A 55 -7.350 13.380 0.119 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.378 15.050 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.886 13.529 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.423 11.838 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.089 12.530 -1.760 1.00 0.00 H new ATOM 951 N ALA A 56 -7.387 9.761 -1.008 1.00 0.00 N ATOM 952 CA ALA A 56 -7.224 8.579 -0.166 1.00 0.00 C ATOM 953 C ALA A 56 -5.823 8.545 0.460 1.00 0.00 C ATOM 954 O ALA A 56 -4.903 9.217 -0.001 1.00 0.00 O ATOM 955 CB ALA A 56 -7.551 7.310 -0.958 1.00 0.00 C ATOM 0 H ALA A 56 -7.034 9.631 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.932 8.629 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.425 6.438 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.582 7.356 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.880 7.232 -1.813 1.00 0.00 H new ATOM 961 N TYR A 57 -5.668 7.749 1.511 1.00 0.00 N ATOM 962 CA TYR A 57 -4.459 7.611 2.310 1.00 0.00 C ATOM 963 C TYR A 57 -4.280 6.131 2.684 1.00 0.00 C ATOM 964 O TYR A 57 -5.077 5.595 3.455 1.00 0.00 O ATOM 965 CB TYR A 57 -4.589 8.497 3.568 1.00 0.00 C ATOM 966 CG TYR A 57 -4.920 9.965 3.325 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.914 10.840 2.870 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.223 10.463 3.563 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.204 12.199 2.640 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.519 11.819 3.321 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.510 12.691 2.859 1.00 0.00 C ATOM 972 OH TYR A 57 -5.802 14.000 2.630 1.00 0.00 O ATOM 0 H TYR A 57 -6.423 7.151 1.846 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.581 7.935 1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.363 8.073 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.652 8.444 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.915 10.467 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.993 9.801 3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.427 12.866 2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.519 12.191 3.489 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.747 14.165 2.832 1.00 0.00 H new ATOM 982 N ILE A 58 -3.248 5.459 2.164 1.00 0.00 N ATOM 983 CA ILE A 58 -2.827 4.137 2.658 1.00 0.00 C ATOM 984 C ILE A 58 -1.804 4.377 3.762 1.00 0.00 C ATOM 985 O ILE A 58 -0.667 4.762 3.488 1.00 0.00 O ATOM 986 CB ILE A 58 -2.291 3.205 1.540 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.329 2.844 0.453 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.802 1.880 2.161 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.540 3.926 -0.610 1.00 0.00 C ATOM 0 H ILE A 58 -2.681 5.811 1.392 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.691 3.600 3.050 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.490 3.767 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.014 1.925 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.284 2.636 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.426 1.226 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.004 2.085 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.630 1.391 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.284 3.587 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.888 4.842 -0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.598 4.120 -1.124 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.219 4.180 5.012 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.387 4.339 6.205 1.00 0.00 C ATOM 1003 C LYS A 59 -1.063 2.988 6.839 1.00 0.00 C ATOM 1004 O LYS A 59 -1.888 2.076 6.877 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.032 5.328 7.191 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.333 6.678 6.516 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.450 7.822 7.530 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.693 9.148 6.797 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.637 10.301 7.729 1.00 0.00 N ATOM 0 H LYS A 59 -3.174 3.896 5.230 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.431 4.771 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.955 4.902 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.366 5.484 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.543 6.908 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.262 6.600 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.269 7.624 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.539 7.887 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.945 9.275 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.666 9.121 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.403 10.967 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.749 9.963 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.720 10.782 7.632 1.00 0.00 H new ATOM 1023 N LEU A 60 0.161 2.870 7.330 1.00 0.00 N ATOM 1024 CA LEU A 60 0.708 1.693 8.005 1.00 0.00 C ATOM 1025 C LEU A 60 0.945 1.992 9.489 1.00 0.00 C ATOM 1026 O LEU A 60 1.551 3.007 9.834 1.00 0.00 O ATOM 1027 CB LEU A 60 1.993 1.259 7.279 1.00 0.00 C ATOM 1028 CG LEU A 60 1.789 0.114 6.275 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.716 0.368 5.213 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.102 -0.133 5.541 1.00 0.00 C ATOM 0 H LEU A 60 0.838 3.630 7.267 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.002 0.867 7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.409 2.119 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.730 0.951 8.020 1.00 0.00 H new ATOM 0 HG LEU A 60 1.456 -0.738 6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.646 -0.496 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.246 0.531 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.982 1.250 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.971 -0.944 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.400 0.773 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.875 -0.405 6.260 1.00 0.00 H new ATOM 1042 N GLU A 61 0.476 1.107 10.367 1.00 0.00 N ATOM 1043 CA GLU A 61 0.456 1.313 11.821 1.00 0.00 C ATOM 1044 C GLU A 61 1.135 0.187 12.605 1.00 0.00 C ATOM 1045 O GLU A 61 1.153 -0.966 12.175 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.979 1.424 12.335 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.814 2.603 11.842 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.167 2.532 12.562 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -4.158 2.020 12.002 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.271 2.901 13.753 1.00 0.00 O ATOM 0 H GLU A 61 0.090 0.206 10.085 1.00 0.00 H new ATOM 0 HA GLU A 61 1.010 2.237 11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.503 0.506 12.070 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.944 1.468 13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.312 3.547 12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.950 2.553 10.762 1.00 0.00 H new ATOM 1057 N ASP A 62 1.637 0.489 13.804 1.00 0.00 N ATOM 1058 CA ASP A 62 2.197 -0.516 14.698 1.00 0.00 C ATOM 1059 C ASP A 62 1.099 -1.395 15.321 1.00 0.00 C ATOM 1060 O ASP A 62 0.014 -0.927 15.695 1.00 0.00 O ATOM 1061 CB ASP A 62 3.035 0.177 15.767 1.00 0.00 C ATOM 1062 CG ASP A 62 3.871 -0.827 16.557 1.00 0.00 C ATOM 1063 OD1 ASP A 62 5.026 -1.112 16.167 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.329 -1.348 17.554 1.00 0.00 O ATOM 0 H ASP A 62 1.665 1.437 14.179 1.00 0.00 H new ATOM 0 HA ASP A 62 2.837 -1.185 14.123 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.691 0.910 15.298 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.381 0.723 16.447 1.00 0.00 H new ATOM 1069 N LYS A 63 1.409 -2.684 15.458 1.00 0.00 N ATOM 1070 CA LYS A 63 0.514 -3.735 15.965 1.00 0.00 C ATOM 1071 C LYS A 63 0.446 -3.869 17.490 1.00 0.00 C ATOM 1072 O LYS A 63 -0.345 -4.670 17.989 1.00 0.00 O ATOM 1073 CB LYS A 63 0.838 -5.075 15.264 1.00 0.00 C ATOM 1074 CG LYS A 63 2.347 -5.373 15.223 1.00 0.00 C ATOM 1075 CD LYS A 63 2.656 -6.770 14.679 1.00 0.00 C ATOM 1076 CE LYS A 63 4.126 -6.822 14.242 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.486 -8.138 13.655 1.00 0.00 N ATOM 0 H LYS A 63 2.330 -3.044 15.209 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.498 -3.422 15.707 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.326 -5.885 15.783 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.448 -5.052 14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.844 -4.627 14.603 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.760 -5.279 16.227 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.464 -7.523 15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.004 -6.998 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.315 -6.035 13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.767 -6.621 15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.137 -7.996 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.948 -8.726 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.625 -8.615 13.319 1.00 0.00 H new ATOM 1091 N VAL A 64 1.229 -3.081 18.227 1.00 0.00 N ATOM 1092 CA VAL A 64 1.289 -3.103 19.696 1.00 0.00 C ATOM 1093 C VAL A 64 1.059 -1.714 20.297 1.00 0.00 C ATOM 1094 O VAL A 64 0.347 -1.598 21.297 1.00 0.00 O ATOM 1095 CB VAL A 64 2.645 -3.686 20.147 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.839 -3.654 21.669 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.804 -5.149 19.703 1.00 0.00 C ATOM 0 H VAL A 64 1.856 -2.391 17.813 1.00 0.00 H new ATOM 0 HA VAL A 64 0.485 -3.740 20.064 1.00 0.00 H new ATOM 0 HB VAL A 64 3.392 -3.049 19.674 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.811 -4.078 21.921 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.790 -2.623 22.020 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.053 -4.238 22.148 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.770 -5.528 20.037 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.007 -5.751 20.140 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.748 -5.208 18.616 1.00 0.00 H new ATOM 1107 N SER A 65 1.611 -0.662 19.684 1.00 0.00 N ATOM 1108 CA SER A 65 1.609 0.698 20.244 1.00 0.00 C ATOM 1109 C SER A 65 0.716 1.678 19.475 1.00 0.00 C ATOM 1110 O SER A 65 0.389 2.746 19.996 1.00 0.00 O ATOM 1111 CB SER A 65 3.047 1.226 20.315 1.00 0.00 C ATOM 1112 OG SER A 65 3.813 0.456 21.233 1.00 0.00 O ATOM 0 H SER A 65 2.076 -0.728 18.778 1.00 0.00 H new ATOM 0 HA SER A 65 1.182 0.627 21.245 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.505 1.187 19.327 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.042 2.272 20.623 1.00 0.00 H new ATOM 0 HG SER A 65 4.729 0.803 21.267 1.00 0.00 H new ATOM 1118 N GLY A 66 0.301 1.334 18.248 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.552 2.201 17.422 1.00 0.00 C ATOM 1120 C GLY A 66 0.176 3.421 16.841 1.00 0.00 C ATOM 1121 O GLY A 66 -0.454 4.420 16.494 1.00 0.00 O ATOM 0 H GLY A 66 0.546 0.450 17.801 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.965 1.613 16.603 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.394 2.545 18.023 1.00 0.00 H new ATOM 1125 N GLU A 67 1.507 3.347 16.745 1.00 0.00 N ATOM 1126 CA GLU A 67 2.349 4.330 16.060 1.00 0.00 C ATOM 1127 C GLU A 67 2.040 4.383 14.557 1.00 0.00 C ATOM 1128 O GLU A 67 1.528 3.417 13.990 1.00 0.00 O ATOM 1129 CB GLU A 67 3.835 3.968 16.220 1.00 0.00 C ATOM 1130 CG GLU A 67 4.298 3.767 17.663 1.00 0.00 C ATOM 1131 CD GLU A 67 4.100 5.015 18.550 1.00 0.00 C ATOM 1132 OE1 GLU A 67 3.624 4.873 19.702 1.00 0.00 O ATOM 1133 OE2 GLU A 67 4.435 6.144 18.114 1.00 0.00 O ATOM 0 H GLU A 67 2.042 2.580 17.153 1.00 0.00 H new ATOM 0 HA GLU A 67 2.138 5.299 16.512 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.033 3.054 15.660 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.437 4.756 15.768 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.752 2.930 18.099 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.353 3.494 17.663 1.00 0.00 H new ATOM 1140 N LEU A 68 2.430 5.474 13.897 1.00 0.00 N ATOM 1141 CA LEU A 68 2.426 5.595 12.433 1.00 0.00 C ATOM 1142 C LEU A 68 3.811 5.219 11.879 1.00 0.00 C ATOM 1143 O LEU A 68 4.808 5.864 12.213 1.00 0.00 O ATOM 1144 CB LEU A 68 2.000 7.027 12.048 1.00 0.00 C ATOM 1145 CG LEU A 68 1.911 7.289 10.530 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.763 6.525 9.869 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.676 8.777 10.271 1.00 0.00 C ATOM 0 H LEU A 68 2.764 6.314 14.370 1.00 0.00 H new ATOM 0 HA LEU A 68 1.707 4.906 11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.028 7.235 12.496 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.709 7.731 12.483 1.00 0.00 H new ATOM 0 HG LEU A 68 2.855 6.950 10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.746 6.745 8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.906 5.454 10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.183 6.830 10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.614 8.954 9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.744 9.086 10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.502 9.354 10.687 1.00 0.00 H new ATOM 1159 N PHE A 69 3.877 4.201 11.018 1.00 0.00 N ATOM 1160 CA PHE A 69 5.102 3.824 10.302 1.00 0.00 C ATOM 1161 C PHE A 69 5.295 4.678 9.042 1.00 0.00 C ATOM 1162 O PHE A 69 6.338 5.315 8.875 1.00 0.00 O ATOM 1163 CB PHE A 69 5.078 2.321 9.973 1.00 0.00 C ATOM 1164 CG PHE A 69 6.193 1.880 9.038 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.523 1.836 9.499 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.915 1.567 7.692 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.567 1.488 8.622 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.960 1.241 6.811 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.286 1.195 7.275 1.00 0.00 C ATOM 0 H PHE A 69 3.077 3.609 10.795 1.00 0.00 H new ATOM 0 HA PHE A 69 5.958 4.017 10.949 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.149 1.754 10.901 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.118 2.073 9.521 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.743 2.070 10.530 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.895 1.578 7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.584 1.446 8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.744 1.025 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.087 0.935 6.599 1.00 0.00 H new ATOM 1179 N ALA A 70 4.282 4.710 8.170 1.00 0.00 N ATOM 1180 CA ALA A 70 4.300 5.442 6.903 1.00 0.00 C ATOM 1181 C ALA A 70 2.879 5.741 6.390 1.00 0.00 C ATOM 1182 O ALA A 70 1.905 5.122 6.826 1.00 0.00 O ATOM 1183 CB ALA A 70 5.086 4.619 5.875 1.00 0.00 C ATOM 0 H ALA A 70 3.405 4.214 8.332 1.00 0.00 H new ATOM 0 HA ALA A 70 4.783 6.406 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.109 5.151 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.105 4.469 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.603 3.651 5.738 1.00 0.00 H new ATOM 1189 N GLN A 71 2.766 6.673 5.440 1.00 0.00 N ATOM 1190 CA GLN A 71 1.503 7.089 4.818 1.00 0.00 C ATOM 1191 C GLN A 71 1.684 7.433 3.331 1.00 0.00 C ATOM 1192 O GLN A 71 2.612 8.154 2.976 1.00 0.00 O ATOM 1193 CB GLN A 71 0.910 8.284 5.589 1.00 0.00 C ATOM 1194 CG GLN A 71 1.924 9.401 5.898 1.00 0.00 C ATOM 1195 CD GLN A 71 1.265 10.766 6.060 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.269 10.938 6.753 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.796 11.775 5.405 1.00 0.00 N ATOM 0 H GLN A 71 3.574 7.175 5.071 1.00 0.00 H new ATOM 0 HA GLN A 71 0.808 6.251 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.088 8.705 5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.487 7.923 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.465 9.153 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.660 9.450 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.625 11.629 4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.379 12.703 5.473 1.00 0.00 H new ATOM 1206 N ALA A 72 0.788 6.958 2.464 1.00 0.00 N ATOM 1207 CA ALA A 72 0.789 7.204 1.018 1.00 0.00 C ATOM 1208 C ALA A 72 -0.529 7.873 0.564 1.00 0.00 C ATOM 1209 O ALA A 72 -1.544 7.182 0.425 1.00 0.00 O ATOM 1210 CB ALA A 72 1.054 5.870 0.306 1.00 0.00 C ATOM 0 H ALA A 72 0.010 6.368 2.760 1.00 0.00 H new ATOM 0 HA ALA A 72 1.580 7.906 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.059 6.028 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.021 5.476 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.270 5.158 0.564 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.539 9.204 0.341 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.667 9.930 -0.245 1.00 0.00 C ATOM 1218 C PRO A 73 -1.882 9.588 -1.726 1.00 0.00 C ATOM 1219 O PRO A 73 -0.916 9.461 -2.480 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.360 11.423 -0.079 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.284 11.462 1.001 1.00 0.00 C ATOM 1222 CD PRO A 73 0.471 10.156 0.771 1.00 0.00 C ATOM 0 HA PRO A 73 -2.590 9.647 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.006 11.863 -1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.247 11.982 0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.366 12.330 0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.716 11.509 2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.246 10.277 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.965 9.821 1.683 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.143 9.499 -2.155 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.571 9.114 -3.510 1.00 0.00 C ATOM 1232 C VAL A 74 -4.692 10.048 -3.983 1.00 0.00 C ATOM 1233 O VAL A 74 -5.667 10.236 -3.260 1.00 0.00 O ATOM 1234 CB VAL A 74 -4.099 7.658 -3.541 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.119 7.117 -4.974 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.318 6.667 -2.672 1.00 0.00 C ATOM 0 H VAL A 74 -3.933 9.702 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.705 9.191 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.103 7.730 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.493 6.093 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.769 7.739 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.109 7.133 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.763 5.676 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.281 6.630 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.353 6.989 -1.631 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.600 10.610 -5.191 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.635 11.524 -5.732 1.00 0.00 C ATOM 1248 C GLU A 75 -6.710 10.808 -6.577 1.00 0.00 C ATOM 1249 O GLU A 75 -7.824 11.310 -6.730 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.966 12.639 -6.552 1.00 0.00 C ATOM 1251 CG GLU A 75 -4.088 13.554 -5.688 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.515 14.716 -6.524 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.151 15.797 -6.589 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.421 14.560 -7.118 1.00 0.00 O ATOM 0 H GLU A 75 -3.817 10.452 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.158 11.949 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.357 12.193 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.734 13.236 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.675 13.951 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.272 12.977 -5.253 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.382 9.635 -7.125 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.290 8.713 -7.824 1.00 0.00 C ATOM 1263 C GLN A 76 -6.655 7.317 -7.926 1.00 0.00 C ATOM 1264 O GLN A 76 -5.432 7.209 -8.043 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.683 9.241 -9.224 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.614 9.203 -10.334 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.387 10.073 -10.065 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -5.322 11.242 -10.425 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.363 9.539 -9.432 1.00 0.00 N ATOM 0 H GLN A 76 -5.426 9.281 -7.093 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.207 8.642 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.544 8.668 -9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.012 10.274 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.289 8.172 -10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.071 9.521 -11.271 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.403 8.567 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.530 10.098 -9.247 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.471 6.263 -7.938 1.00 0.00 N ATOM 1279 CA TYR A 77 -7.035 4.878 -8.127 1.00 0.00 C ATOM 1280 C TYR A 77 -7.600 4.284 -9.438 1.00 0.00 C ATOM 1281 O TYR A 77 -8.813 4.386 -9.658 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.446 4.038 -6.914 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.903 2.628 -6.967 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.747 1.554 -7.308 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.537 2.402 -6.721 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.224 0.251 -7.414 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -5.008 1.107 -6.855 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.845 0.028 -7.203 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.312 -1.215 -7.355 1.00 0.00 O ATOM 0 H TYR A 77 -8.480 6.350 -7.813 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.948 4.863 -8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.093 4.524 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.534 4.002 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.797 1.730 -7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.896 3.221 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.875 -0.576 -7.656 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.954 0.938 -6.690 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.350 -1.183 -7.171 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.778 3.645 -10.297 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.316 3.543 -10.207 1.00 0.00 C ATOM 1301 C PRO A 78 -4.614 4.901 -10.412 1.00 0.00 C ATOM 1302 O PRO A 78 -5.103 5.769 -11.139 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.915 2.526 -11.281 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.000 2.697 -12.344 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.246 2.989 -11.511 1.00 0.00 C ATOM 0 HA PRO A 78 -5.006 3.225 -9.212 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.923 2.733 -11.681 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.894 1.510 -10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.771 3.514 -13.029 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.119 1.798 -12.949 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.938 3.629 -12.057 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.781 2.069 -11.275 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.461 5.079 -9.765 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.657 6.308 -9.817 1.00 0.00 C ATOM 1315 C GLY A 79 -1.217 6.138 -9.315 1.00 0.00 C ATOM 1316 O GLY A 79 -0.795 5.043 -8.947 1.00 0.00 O ATOM 0 H GLY A 79 -3.048 4.357 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.631 6.669 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.149 7.077 -9.221 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.458 7.239 -9.279 1.00 0.00 N ATOM 1321 CA ILE A 80 0.996 7.264 -9.002 1.00 0.00 C ATOM 1322 C ILE A 80 1.402 6.629 -7.662 1.00 0.00 C ATOM 1323 O ILE A 80 2.476 6.040 -7.553 1.00 0.00 O ATOM 1324 CB ILE A 80 1.505 8.727 -9.104 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.021 8.906 -8.869 1.00 0.00 C ATOM 1326 CG2 ILE A 80 0.782 9.686 -8.134 1.00 0.00 C ATOM 1327 CD1 ILE A 80 3.912 8.104 -9.820 1.00 0.00 C ATOM 0 H ILE A 80 -0.843 8.169 -9.446 1.00 0.00 H new ATOM 0 HA ILE A 80 1.472 6.639 -9.757 1.00 0.00 H new ATOM 0 HB ILE A 80 1.278 8.978 -10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.268 9.963 -8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.253 8.617 -7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.182 10.693 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.285 9.691 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.938 9.352 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.959 8.291 -9.582 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.699 7.041 -9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.714 8.408 -10.848 1.00 0.00 H new ATOM 1339 N ALA A 81 0.551 6.723 -6.641 1.00 0.00 N ATOM 1340 CA ALA A 81 0.880 6.327 -5.274 1.00 0.00 C ATOM 1341 C ALA A 81 0.526 4.876 -4.921 1.00 0.00 C ATOM 1342 O ALA A 81 0.714 4.491 -3.768 1.00 0.00 O ATOM 1343 CB ALA A 81 0.271 7.362 -4.328 1.00 0.00 C ATOM 0 H ALA A 81 -0.399 7.081 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 81 1.964 6.324 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.501 7.092 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.688 8.345 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.810 7.388 -4.464 1.00 0.00 H new ATOM 1349 N VAL A 82 0.051 4.070 -5.880 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.322 2.658 -5.671 1.00 0.00 C ATOM 1351 C VAL A 82 -0.068 1.830 -6.941 1.00 0.00 C ATOM 1352 O VAL A 82 -0.519 2.179 -8.032 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.799 2.508 -5.249 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.084 1.070 -4.785 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.267 3.446 -4.127 1.00 0.00 C ATOM 0 H VAL A 82 -0.089 4.383 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 82 0.306 2.284 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.352 2.777 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.130 0.983 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.877 0.377 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.447 0.829 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.318 3.257 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.673 3.266 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.143 4.482 -4.443 1.00 0.00 H new ATOM 1365 N GLU A 83 0.641 0.713 -6.800 1.00 0.00 N ATOM 1366 CA GLU A 83 1.155 -0.143 -7.879 1.00 0.00 C ATOM 1367 C GLU A 83 1.090 -1.640 -7.523 1.00 0.00 C ATOM 1368 O GLU A 83 0.930 -2.008 -6.361 1.00 0.00 O ATOM 1369 CB GLU A 83 2.606 0.278 -8.198 1.00 0.00 C ATOM 1370 CG GLU A 83 2.691 1.135 -9.467 1.00 0.00 C ATOM 1371 CD GLU A 83 2.754 0.261 -10.733 1.00 0.00 C ATOM 1372 OE1 GLU A 83 1.838 -0.565 -10.952 1.00 0.00 O ATOM 1373 OE2 GLU A 83 3.736 0.394 -11.505 1.00 0.00 O ATOM 0 H GLU A 83 0.890 0.356 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 83 0.522 -0.008 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.015 0.836 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.223 -0.612 -8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.825 1.794 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.574 1.772 -9.419 1.00 0.00 H new ATOM 1380 N THR A 84 1.222 -2.512 -8.523 1.00 0.00 N ATOM 1381 CA THR A 84 1.061 -3.980 -8.423 1.00 0.00 C ATOM 1382 C THR A 84 2.317 -4.722 -8.898 1.00 0.00 C ATOM 1383 O THR A 84 3.155 -4.171 -9.620 1.00 0.00 O ATOM 1384 CB THR A 84 -0.154 -4.444 -9.251 1.00 0.00 C ATOM 1385 OG1 THR A 84 0.018 -4.148 -10.622 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.452 -3.764 -8.809 1.00 0.00 C ATOM 0 H THR A 84 1.454 -2.211 -9.470 1.00 0.00 H new ATOM 0 HA THR A 84 0.901 -4.218 -7.372 1.00 0.00 H new ATOM 0 HB THR A 84 -0.224 -5.520 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.766 -4.454 -11.124 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.278 -4.124 -9.422 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.648 -3.998 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.356 -2.685 -8.927 1.00 0.00 H new ATOM 1394 N VAL A 85 2.458 -5.990 -8.501 1.00 0.00 N ATOM 1395 CA VAL A 85 3.466 -6.921 -9.029 1.00 0.00 C ATOM 1396 C VAL A 85 2.924 -7.699 -10.244 1.00 0.00 C ATOM 1397 O VAL A 85 1.738 -7.623 -10.576 1.00 0.00 O ATOM 1398 CB VAL A 85 3.937 -7.892 -7.933 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.483 -7.130 -6.724 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.820 -8.829 -7.481 1.00 0.00 C ATOM 0 H VAL A 85 1.862 -6.410 -7.787 1.00 0.00 H new ATOM 0 HA VAL A 85 4.322 -6.333 -9.361 1.00 0.00 H new ATOM 0 HB VAL A 85 4.733 -8.495 -8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.809 -7.840 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.328 -6.515 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.701 -6.492 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.197 -9.497 -6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.992 -8.243 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.473 -9.417 -8.330 1.00 0.00 H new ATOM 1410 N THR A 86 3.775 -8.507 -10.875 1.00 0.00 N ATOM 1411 CA THR A 86 3.448 -9.356 -12.033 1.00 0.00 C ATOM 1412 C THR A 86 3.080 -10.787 -11.636 1.00 0.00 C ATOM 1413 O THR A 86 2.226 -11.403 -12.277 1.00 0.00 O ATOM 1414 CB THR A 86 4.631 -9.409 -13.014 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.753 -10.008 -12.405 1.00 0.00 O ATOM 1416 CG2 THR A 86 5.067 -8.018 -13.462 1.00 0.00 C ATOM 0 H THR A 86 4.750 -8.596 -10.587 1.00 0.00 H new ATOM 0 HA THR A 86 2.578 -8.900 -12.506 1.00 0.00 H new ATOM 0 HB THR A 86 4.286 -9.986 -13.872 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.496 -10.035 -13.043 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.905 -8.105 -14.154 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.236 -7.519 -13.960 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.373 -7.435 -12.593 1.00 0.00 H new ATOM 1424 N ASP A 87 3.717 -11.328 -10.590 1.00 0.00 N ATOM 1425 CA ASP A 87 3.684 -12.773 -10.312 1.00 0.00 C ATOM 1426 C ASP A 87 2.516 -13.210 -9.413 1.00 0.00 C ATOM 1427 O ASP A 87 1.885 -14.235 -9.687 1.00 0.00 O ATOM 1428 CB ASP A 87 5.017 -13.207 -9.696 1.00 0.00 C ATOM 1429 CG ASP A 87 5.125 -14.739 -9.614 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.434 -15.378 -10.649 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.902 -15.310 -8.519 1.00 0.00 O ATOM 0 H ASP A 87 4.263 -10.787 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 87 3.524 -13.269 -11.269 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.840 -12.814 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.114 -12.780 -8.698 1.00 0.00 H new ATOM 1436 N SER A 88 2.218 -12.444 -8.355 1.00 0.00 N ATOM 1437 CA SER A 88 1.156 -12.801 -7.392 1.00 0.00 C ATOM 1438 C SER A 88 0.352 -11.608 -6.881 1.00 0.00 C ATOM 1439 O SER A 88 0.896 -10.677 -6.296 1.00 0.00 O ATOM 1440 CB SER A 88 1.734 -13.592 -6.215 1.00 0.00 C ATOM 1441 OG SER A 88 0.673 -14.034 -5.376 1.00 0.00 O ATOM 0 H SER A 88 2.697 -11.569 -8.140 1.00 0.00 H new ATOM 0 HA SER A 88 0.455 -13.424 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.303 -14.447 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.425 -12.968 -5.648 1.00 0.00 H new ATOM 0 HG SER A 88 0.781 -14.990 -5.188 1.00 0.00 H new ATOM 1447 N SER A 89 -0.973 -11.663 -7.024 1.00 0.00 N ATOM 1448 CA SER A 89 -1.892 -10.552 -6.722 1.00 0.00 C ATOM 1449 C SER A 89 -2.060 -10.219 -5.226 1.00 0.00 C ATOM 1450 O SER A 89 -2.929 -9.416 -4.886 1.00 0.00 O ATOM 1451 CB SER A 89 -3.259 -10.807 -7.376 1.00 0.00 C ATOM 1452 OG SER A 89 -3.105 -11.208 -8.731 1.00 0.00 O ATOM 0 H SER A 89 -1.453 -12.498 -7.360 1.00 0.00 H new ATOM 0 HA SER A 89 -1.421 -9.667 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.793 -11.579 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.865 -9.902 -7.327 1.00 0.00 H new ATOM 0 HG SER A 89 -3.987 -11.367 -9.127 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.249 -10.804 -4.325 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.208 -10.485 -2.884 1.00 0.00 C ATOM 1460 C ARG A 90 -0.101 -9.499 -2.474 1.00 0.00 C ATOM 1461 O ARG A 90 0.251 -9.431 -1.297 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.360 -11.747 -2.015 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.109 -12.612 -1.847 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.458 -13.856 -1.017 1.00 0.00 C ATOM 1465 NE ARG A 90 0.674 -14.797 -0.929 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.635 -14.821 -0.022 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.561 -15.735 -0.083 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.715 -13.962 0.952 1.00 0.00 N ATOM 0 H ARG A 90 -0.585 -11.533 -4.586 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.097 -9.893 -2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.700 -11.441 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.148 -12.365 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.276 -12.908 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.678 -12.041 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.754 -13.551 -0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.315 -14.361 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 90 0.721 -15.514 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.543 -16.430 -0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.304 -15.756 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.015 -13.226 1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.478 -14.025 1.626 1.00 0.00 H new ATOM 1482 N TYR A 91 0.436 -8.728 -3.426 1.00 0.00 N ATOM 1483 CA TYR A 91 1.552 -7.812 -3.223 1.00 0.00 C ATOM 1484 C TYR A 91 1.336 -6.502 -3.995 1.00 0.00 C ATOM 1485 O TYR A 91 0.945 -6.517 -5.166 1.00 0.00 O ATOM 1486 CB TYR A 91 2.841 -8.501 -3.684 1.00 0.00 C ATOM 1487 CG TYR A 91 3.224 -9.741 -2.901 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.863 -11.022 -3.366 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.956 -9.605 -1.708 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.259 -12.169 -2.652 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.331 -10.748 -0.979 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.004 -12.033 -1.459 1.00 0.00 C ATOM 1493 OH TYR A 91 4.418 -13.133 -0.771 1.00 0.00 O ATOM 0 H TYR A 91 0.092 -8.728 -4.386 1.00 0.00 H new ATOM 0 HA TYR A 91 1.625 -7.560 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.734 -8.772 -4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.660 -7.784 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.282 -11.124 -4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.230 -8.623 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.994 -13.151 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.871 -10.641 -0.050 1.00 0.00 H new ATOM 0 HH TYR A 91 4.918 -12.853 0.024 1.00 0.00 H new ATOM 1503 N PHE A 92 1.623 -5.373 -3.345 1.00 0.00 N ATOM 1504 CA PHE A 92 1.481 -4.024 -3.901 1.00 0.00 C ATOM 1505 C PHE A 92 2.700 -3.167 -3.575 1.00 0.00 C ATOM 1506 O PHE A 92 3.451 -3.468 -2.653 1.00 0.00 O ATOM 1507 CB PHE A 92 0.217 -3.351 -3.344 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.056 -4.083 -3.694 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.651 -4.940 -2.755 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.622 -3.942 -4.972 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.810 -5.652 -3.092 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.762 -4.684 -5.322 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.357 -5.541 -4.383 1.00 0.00 C ATOM 0 H PHE A 92 1.972 -5.371 -2.387 1.00 0.00 H new ATOM 0 HA PHE A 92 1.398 -4.114 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.300 -3.280 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.158 -2.332 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.216 -5.051 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.180 -3.263 -5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.284 -6.287 -2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.181 -4.595 -6.314 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.233 -6.114 -4.651 1.00 0.00 H new ATOM 1523 N VAL A 93 2.875 -2.069 -4.298 1.00 0.00 N ATOM 1524 CA VAL A 93 3.812 -0.992 -3.960 1.00 0.00 C ATOM 1525 C VAL A 93 3.019 0.287 -3.714 1.00 0.00 C ATOM 1526 O VAL A 93 2.048 0.536 -4.425 1.00 0.00 O ATOM 1527 CB VAL A 93 4.869 -0.830 -5.067 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.822 0.345 -4.833 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.705 -2.107 -5.171 1.00 0.00 C ATOM 0 H VAL A 93 2.358 -1.893 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 93 4.358 -1.235 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 93 4.318 -0.633 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.540 0.400 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.252 1.273 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.354 0.200 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.453 -1.990 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.203 -2.294 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.055 -2.949 -5.412 1.00 0.00 H new ATOM 1539 N ILE A 94 3.409 1.112 -2.740 1.00 0.00 N ATOM 1540 CA ILE A 94 2.795 2.429 -2.525 1.00 0.00 C ATOM 1541 C ILE A 94 3.846 3.531 -2.380 1.00 0.00 C ATOM 1542 O ILE A 94 4.941 3.294 -1.859 1.00 0.00 O ATOM 1543 CB ILE A 94 1.761 2.458 -1.375 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.318 2.149 0.035 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.527 1.602 -1.694 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.507 0.670 0.398 1.00 0.00 C ATOM 0 H ILE A 94 4.155 0.890 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 94 2.224 2.635 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 94 1.458 3.504 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.281 2.649 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.648 2.596 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.174 1.650 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.045 1.980 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.833 0.568 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.902 0.592 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.547 0.156 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.206 0.210 -0.301 1.00 0.00 H new ATOM 1558 N ARG A 95 3.507 4.743 -2.838 1.00 0.00 N ATOM 1559 CA ARG A 95 4.383 5.924 -2.722 1.00 0.00 C ATOM 1560 C ARG A 95 4.138 6.649 -1.400 1.00 0.00 C ATOM 1561 O ARG A 95 3.315 7.565 -1.333 1.00 0.00 O ATOM 1562 CB ARG A 95 4.253 6.855 -3.943 1.00 0.00 C ATOM 1563 CG ARG A 95 5.469 7.788 -4.035 1.00 0.00 C ATOM 1564 CD ARG A 95 5.394 8.758 -5.221 1.00 0.00 C ATOM 1565 NE ARG A 95 4.482 9.896 -4.972 1.00 0.00 N ATOM 1566 CZ ARG A 95 4.359 10.973 -5.731 1.00 0.00 C ATOM 1567 NH1 ARG A 95 3.607 11.969 -5.360 1.00 0.00 N ATOM 1568 NH2 ARG A 95 4.985 11.093 -6.866 1.00 0.00 N ATOM 0 H ARG A 95 2.618 4.936 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 95 5.418 5.581 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.172 6.262 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.339 7.444 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.552 8.359 -3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.375 7.188 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.392 9.139 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.060 8.217 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 95 3.895 9.846 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.103 11.925 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.522 12.793 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.593 10.343 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.868 11.937 -7.426 1.00 0.00 H new ATOM 1582 N ILE A 96 4.838 6.247 -0.345 1.00 0.00 N ATOM 1583 CA ILE A 96 4.736 6.912 0.960 1.00 0.00 C ATOM 1584 C ILE A 96 5.407 8.293 0.922 1.00 0.00 C ATOM 1585 O ILE A 96 6.455 8.468 0.299 1.00 0.00 O ATOM 1586 CB ILE A 96 5.163 6.013 2.142 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.663 5.639 2.183 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.310 4.735 2.169 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.488 6.570 3.078 1.00 0.00 C ATOM 0 H ILE A 96 5.487 5.460 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 96 3.680 7.095 1.160 1.00 0.00 H new ATOM 0 HB ILE A 96 4.992 6.620 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.767 4.615 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.066 5.666 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.619 4.109 3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.259 5.001 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.446 4.187 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.532 6.256 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.412 7.592 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.108 6.525 4.099 1.00 0.00 H new ATOM 1601 N GLN A 97 4.760 9.289 1.532 1.00 0.00 N ATOM 1602 CA GLN A 97 5.087 10.717 1.438 1.00 0.00 C ATOM 1603 C GLN A 97 4.952 11.408 2.799 1.00 0.00 C ATOM 1604 O GLN A 97 4.037 11.141 3.580 1.00 0.00 O ATOM 1605 CB GLN A 97 4.174 11.409 0.408 1.00 0.00 C ATOM 1606 CG GLN A 97 4.529 11.063 -1.049 1.00 0.00 C ATOM 1607 CD GLN A 97 3.350 11.201 -2.005 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.060 12.252 -2.554 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.662 10.124 -2.312 1.00 0.00 N ATOM 0 H GLN A 97 3.955 9.115 2.134 1.00 0.00 H new ATOM 0 HA GLN A 97 6.124 10.800 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.140 11.124 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.238 12.489 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.337 11.714 -1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.905 10.041 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.884 9.233 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.906 10.179 -2.995 1.00 0.00 H new ATOM 1682 N SER A 103 9.268 11.733 -0.924 1.00 0.00 N ATOM 1683 CA SER A 103 8.632 10.455 -1.251 1.00 0.00 C ATOM 1684 C SER A 103 9.580 9.249 -1.295 1.00 0.00 C ATOM 1685 O SER A 103 10.783 9.387 -1.537 1.00 0.00 O ATOM 1686 CB SER A 103 7.862 10.562 -2.577 1.00 0.00 C ATOM 1687 OG SER A 103 8.724 10.755 -3.687 1.00 0.00 O ATOM 0 HA SER A 103 7.949 10.261 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.276 9.655 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.157 11.391 -2.519 1.00 0.00 H new ATOM 0 HG SER A 103 9.516 11.257 -3.403 1.00 0.00 H new ATOM 1693 N ALA A 104 9.015 8.056 -1.091 1.00 0.00 N ATOM 1694 CA ALA A 104 9.647 6.758 -1.328 1.00 0.00 C ATOM 1695 C ALA A 104 8.612 5.724 -1.807 1.00 0.00 C ATOM 1696 O ALA A 104 7.462 5.741 -1.370 1.00 0.00 O ATOM 1697 CB ALA A 104 10.342 6.293 -0.041 1.00 0.00 C ATOM 0 H ALA A 104 8.061 7.966 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 104 10.393 6.858 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.815 5.326 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.100 7.022 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.606 6.201 0.757 1.00 0.00 H new ATOM 1703 N PHE A 105 9.021 4.799 -2.678 1.00 0.00 N ATOM 1704 CA PHE A 105 8.210 3.638 -3.059 1.00 0.00 C ATOM 1705 C PHE A 105 8.574 2.435 -2.180 1.00 0.00 C ATOM 1706 O PHE A 105 9.720 1.978 -2.190 1.00 0.00 O ATOM 1707 CB PHE A 105 8.385 3.331 -4.552 1.00 0.00 C ATOM 1708 CG PHE A 105 7.659 4.285 -5.485 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.286 4.104 -5.741 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.351 5.328 -6.130 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.615 4.925 -6.663 1.00 0.00 C ATOM 1712 CE2 PHE A 105 7.676 6.167 -7.037 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.312 5.959 -7.311 1.00 0.00 C ATOM 0 H PHE A 105 9.929 4.833 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 105 7.156 3.863 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.448 3.350 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.033 2.318 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.744 3.327 -5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.400 5.485 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.568 4.762 -6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.207 6.972 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.801 6.594 -8.019 1.00 0.00 H new ATOM 1723 N ILE A 106 7.596 1.917 -1.430 1.00 0.00 N ATOM 1724 CA ILE A 106 7.741 0.719 -0.580 1.00 0.00 C ATOM 1725 C ILE A 106 6.808 -0.399 -1.043 1.00 0.00 C ATOM 1726 O ILE A 106 5.679 -0.132 -1.453 1.00 0.00 O ATOM 1727 CB ILE A 106 7.567 1.031 0.926 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.112 1.364 1.330 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.530 2.159 1.331 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.900 1.501 2.842 1.00 0.00 C ATOM 0 H ILE A 106 6.661 2.323 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 106 8.766 0.368 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 106 7.813 0.120 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.816 2.295 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.453 0.583 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.407 2.379 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.557 1.846 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.309 3.053 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.855 1.735 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.163 0.564 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.531 2.302 3.227 1.00 0.00 H new ATOM 1742 N GLY A 107 7.265 -1.648 -0.965 1.00 0.00 N ATOM 1743 CA GLY A 107 6.455 -2.831 -1.248 1.00 0.00 C ATOM 1744 C GLY A 107 5.742 -3.315 0.011 1.00 0.00 C ATOM 1745 O GLY A 107 6.314 -3.251 1.098 1.00 0.00 O ATOM 0 H GLY A 107 8.224 -1.869 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.721 -2.598 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.089 -3.626 -1.640 1.00 0.00 H new ATOM 1749 N ILE A 108 4.518 -3.819 -0.133 1.00 0.00 N ATOM 1750 CA ILE A 108 3.747 -4.494 0.912 1.00 0.00 C ATOM 1751 C ILE A 108 3.201 -5.841 0.431 1.00 0.00 C ATOM 1752 O ILE A 108 2.752 -5.974 -0.708 1.00 0.00 O ATOM 1753 CB ILE A 108 2.621 -3.619 1.510 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.607 -3.085 0.473 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.238 -2.489 2.343 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.357 -2.454 1.109 1.00 0.00 C ATOM 0 H ILE A 108 4.014 -3.766 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 108 4.452 -4.680 1.722 1.00 0.00 H new ATOM 0 HB ILE A 108 2.026 -4.266 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.099 -2.343 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.300 -3.903 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.444 -1.872 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.833 -2.915 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.876 -1.875 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.312 -2.100 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.158 -3.199 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.653 -1.615 1.738 1.00 0.00 H new ATOM 1768 N GLY A 109 3.224 -6.838 1.317 1.00 0.00 N ATOM 1769 CA GLY A 109 2.646 -8.167 1.109 1.00 0.00 C ATOM 1770 C GLY A 109 1.506 -8.477 2.077 1.00 0.00 C ATOM 1771 O GLY A 109 1.540 -8.080 3.246 1.00 0.00 O ATOM 0 H GLY A 109 3.662 -6.739 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.278 -8.241 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.427 -8.919 1.222 1.00 0.00 H new ATOM 1775 N PHE A 110 0.507 -9.207 1.578 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.683 -9.652 2.308 1.00 0.00 C ATOM 1777 C PHE A 110 -0.615 -11.151 2.618 1.00 0.00 C ATOM 1778 O PHE A 110 -0.001 -11.931 1.884 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.945 -9.316 1.499 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.323 -7.846 1.506 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.465 -7.419 2.211 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.526 -6.900 0.831 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.804 -6.055 2.246 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.849 -5.535 0.895 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.993 -5.114 1.590 1.00 0.00 C ATOM 0 H PHE A 110 0.505 -9.519 0.607 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.724 -9.124 3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.796 -9.635 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.780 -9.895 1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.082 -8.141 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.666 -7.225 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.687 -5.731 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.216 -4.808 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.250 -4.066 1.621 1.00 0.00 H new ATOM 1795 N THR A 111 -1.296 -11.571 3.686 1.00 0.00 N ATOM 1796 CA THR A 111 -1.327 -12.971 4.146 1.00 0.00 C ATOM 1797 C THR A 111 -2.195 -13.875 3.264 1.00 0.00 C ATOM 1798 O THR A 111 -2.058 -15.098 3.304 1.00 0.00 O ATOM 1799 CB THR A 111 -1.773 -13.022 5.618 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.440 -14.260 6.212 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.266 -12.760 5.846 1.00 0.00 C ATOM 0 H THR A 111 -1.851 -10.943 4.268 1.00 0.00 H new ATOM 0 HA THR A 111 -0.315 -13.367 4.063 1.00 0.00 H new ATOM 0 HB THR A 111 -1.227 -12.204 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.523 -14.975 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.487 -12.816 6.912 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.522 -11.768 5.474 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.852 -13.509 5.314 1.00 0.00 H new ATOM 1809 N ASP A 112 -3.085 -13.285 2.458 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.987 -13.998 1.552 1.00 0.00 C ATOM 1811 C ASP A 112 -4.401 -13.107 0.367 1.00 0.00 C ATOM 1812 O ASP A 112 -4.583 -11.894 0.515 1.00 0.00 O ATOM 1813 CB ASP A 112 -5.224 -14.487 2.326 1.00 0.00 C ATOM 1814 CG ASP A 112 -6.029 -15.515 1.517 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.870 -15.102 0.687 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.797 -16.736 1.685 1.00 0.00 O ATOM 0 H ASP A 112 -3.199 -12.272 2.418 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.460 -14.861 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.910 -14.932 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.861 -13.637 2.570 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.578 -13.707 -0.816 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.977 -12.994 -2.038 1.00 0.00 C ATOM 1823 C ARG A 113 -6.393 -12.415 -1.965 1.00 0.00 C ATOM 1824 O ARG A 113 -6.629 -11.347 -2.519 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.780 -13.932 -3.239 1.00 0.00 C ATOM 1826 CG ARG A 113 -4.987 -13.202 -4.574 1.00 0.00 C ATOM 1827 CD ARG A 113 -4.696 -14.114 -5.770 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.252 -14.399 -5.929 1.00 0.00 N ATOM 1829 CZ ARG A 113 -2.702 -15.113 -6.897 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -1.414 -15.296 -6.938 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -3.410 -15.656 -7.846 1.00 0.00 N ATOM 0 H ARG A 113 -4.448 -14.709 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.337 -12.120 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -3.776 -14.355 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.480 -14.765 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.013 -12.839 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.336 -12.328 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.237 -15.052 -5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.073 -13.646 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.623 -14.009 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.818 -14.887 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.001 -15.849 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.423 -15.537 -7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.951 -16.200 -8.577 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.313 -13.044 -1.235 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.655 -12.504 -0.983 1.00 0.00 C ATOM 1847 C GLY A 114 -8.643 -11.196 -0.178 1.00 0.00 C ATOM 1848 O GLY A 114 -9.450 -10.303 -0.436 1.00 0.00 O ATOM 0 H GLY A 114 -7.150 -13.950 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.154 -12.331 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.243 -13.248 -0.446 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.683 -11.030 0.737 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.507 -9.793 1.514 1.00 0.00 C ATOM 1854 C ASP A 115 -6.759 -8.707 0.724 1.00 0.00 C ATOM 1855 O ASP A 115 -7.056 -7.522 0.872 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.816 -10.101 2.850 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.819 -10.646 3.878 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -7.736 -11.840 4.248 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.691 -9.859 4.322 1.00 0.00 O ATOM 0 H ASP A 115 -7.000 -11.753 0.963 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.497 -9.387 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.020 -10.829 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.348 -9.196 3.238 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.856 -9.094 -0.180 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.278 -8.185 -1.164 1.00 0.00 C ATOM 1866 C ALA A 116 -6.298 -7.690 -2.211 1.00 0.00 C ATOM 1867 O ALA A 116 -6.293 -6.514 -2.576 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.137 -8.933 -1.825 1.00 0.00 C ATOM 0 H ALA A 116 -5.506 -10.050 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.932 -7.280 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.668 -8.294 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.400 -9.211 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.522 -9.833 -2.305 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.225 -8.554 -2.640 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.387 -8.139 -3.430 1.00 0.00 C ATOM 1876 C PHE A 117 -9.259 -7.153 -2.646 1.00 0.00 C ATOM 1877 O PHE A 117 -9.674 -6.136 -3.194 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.188 -9.360 -3.907 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.850 -9.794 -5.324 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.573 -10.307 -5.628 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -9.808 -9.663 -6.349 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.262 -10.699 -6.943 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.495 -10.053 -7.664 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.223 -10.574 -7.961 1.00 0.00 C ATOM 0 H PHE A 117 -7.190 -9.556 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.030 -7.618 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.005 -10.192 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.252 -9.131 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.831 -10.400 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.785 -9.262 -6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.284 -11.096 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.233 -9.952 -8.446 1.00 0.00 H new ATOM 0 HZ PHE A 117 -7.985 -10.878 -8.970 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.475 -7.383 -1.348 1.00 0.00 N ATOM 1895 CA ASP A 118 -10.216 -6.452 -0.492 1.00 0.00 C ATOM 1896 C ASP A 118 -9.512 -5.084 -0.349 1.00 0.00 C ATOM 1897 O ASP A 118 -10.189 -4.055 -0.347 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.482 -7.121 0.863 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.598 -6.427 1.655 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.718 -6.254 1.121 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -11.360 -6.121 2.846 1.00 0.00 O ATOM 0 H ASP A 118 -9.143 -8.216 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 118 -11.171 -6.227 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.751 -8.165 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.565 -7.115 1.453 1.00 0.00 H new ATOM 1906 N PHE A 119 -8.172 -5.040 -0.339 1.00 0.00 N ATOM 1907 CA PHE A 119 -7.381 -3.802 -0.453 1.00 0.00 C ATOM 1908 C PHE A 119 -7.661 -3.052 -1.768 1.00 0.00 C ATOM 1909 O PHE A 119 -8.072 -1.889 -1.725 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.884 -4.106 -0.253 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.935 -2.990 -0.663 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.513 -2.036 0.279 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.466 -2.901 -1.988 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.657 -0.991 -0.100 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.606 -1.856 -2.371 1.00 0.00 C ATOM 1916 CZ PHE A 119 -3.201 -0.898 -1.427 1.00 0.00 C ATOM 0 H PHE A 119 -7.596 -5.877 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.692 -3.125 0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.714 -4.337 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.633 -5.002 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.850 -2.108 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.769 -3.640 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.348 -0.257 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.257 -1.790 -3.391 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.542 -0.094 -1.719 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.505 -3.694 -2.936 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.719 -2.998 -4.216 1.00 0.00 C ATOM 1928 C ASN A 120 -9.194 -2.666 -4.500 1.00 0.00 C ATOM 1929 O ASN A 120 -9.478 -1.711 -5.227 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.022 -3.713 -5.391 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.476 -5.125 -5.730 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.705 -6.069 -5.689 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.704 -5.325 -6.159 1.00 0.00 N ATOM 0 H ASN A 120 -7.237 -4.674 -3.022 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.232 -2.028 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.149 -3.097 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.954 -3.747 -5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.997 -6.258 -6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.363 -4.547 -6.200 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.143 -3.410 -3.925 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.576 -3.086 -3.986 1.00 0.00 C ATOM 1942 C VAL A 121 -11.906 -1.891 -3.086 1.00 0.00 C ATOM 1943 O VAL A 121 -12.608 -0.983 -3.529 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.440 -4.323 -3.666 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.918 -3.986 -3.423 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.398 -5.314 -4.839 1.00 0.00 C ATOM 0 H VAL A 121 -9.940 -4.260 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.819 -2.790 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 121 -12.019 -4.745 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.468 -4.901 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -14.001 -3.301 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.335 -3.516 -4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -13.011 -6.184 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.784 -4.831 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.369 -5.631 -5.011 1.00 0.00 H new ATOM 1956 N SER A 122 -11.339 -1.817 -1.877 1.00 0.00 N ATOM 1957 CA SER A 122 -11.538 -0.686 -0.947 1.00 0.00 C ATOM 1958 C SER A 122 -10.974 0.646 -1.473 1.00 0.00 C ATOM 1959 O SER A 122 -11.369 1.705 -0.986 1.00 0.00 O ATOM 1960 CB SER A 122 -10.950 -1.003 0.437 1.00 0.00 C ATOM 1961 OG SER A 122 -11.585 -2.137 0.996 1.00 0.00 O ATOM 0 H SER A 122 -10.724 -2.542 -1.508 1.00 0.00 H new ATOM 0 HA SER A 122 -12.617 -0.556 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.879 -1.184 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.076 -0.145 1.098 1.00 0.00 H new ATOM 0 HG SER A 122 -11.302 -2.942 0.513 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.104 0.611 -2.493 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.679 1.783 -3.266 1.00 0.00 C ATOM 1969 C LEU A 123 -10.605 2.064 -4.464 1.00 0.00 C ATOM 1970 O LEU A 123 -11.161 3.160 -4.566 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.206 1.623 -3.687 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.192 1.649 -2.524 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.794 1.340 -3.059 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.143 3.010 -1.825 1.00 0.00 C ATOM 0 H LEU A 123 -9.667 -0.255 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.759 2.662 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.097 0.681 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.955 2.420 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.516 0.900 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.078 1.358 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.791 0.353 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.515 2.088 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.415 2.977 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.852 3.777 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.127 3.246 -1.420 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.825 1.096 -5.364 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.577 1.349 -6.608 1.00 0.00 C ATOM 1988 C GLN A 124 -13.076 1.621 -6.378 1.00 0.00 C ATOM 1989 O GLN A 124 -13.666 2.458 -7.061 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.326 0.214 -7.617 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.171 -1.044 -7.388 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.622 -2.245 -8.153 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.200 -2.729 -9.117 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.476 -2.761 -7.759 1.00 0.00 N ATOM 0 H GLN A 124 -10.497 0.136 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.197 2.277 -7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.522 0.589 -8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.272 -0.061 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.199 -1.274 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.198 -0.853 -7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.987 -2.364 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.077 -3.557 -8.256 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.681 0.982 -5.371 1.00 0.00 N ATOM 2004 CA ASP A 125 -15.079 1.190 -4.969 1.00 0.00 C ATOM 2005 C ASP A 125 -15.230 2.352 -3.967 1.00 0.00 C ATOM 2006 O ASP A 125 -16.333 2.644 -3.500 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.666 -0.134 -4.449 1.00 0.00 C ATOM 2008 CG ASP A 125 -17.201 -0.099 -4.322 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.885 0.225 -5.322 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.731 -0.443 -3.238 1.00 0.00 O ATOM 0 H ASP A 125 -13.201 0.288 -4.798 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.656 1.494 -5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.380 -0.942 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.231 -0.361 -3.476 1.00 0.00 H new ATOM 2015 N HIS A 126 -14.139 3.075 -3.689 1.00 0.00 N ATOM 2016 CA HIS A 126 -14.182 4.420 -3.115 1.00 0.00 C ATOM 2017 C HIS A 126 -14.056 5.508 -4.188 1.00 0.00 C ATOM 2018 O HIS A 126 -14.818 6.470 -4.168 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.112 4.562 -2.029 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.148 5.926 -1.389 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -14.192 6.418 -0.598 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.194 6.891 -1.522 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.828 7.664 -0.253 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.642 7.973 -0.800 1.00 0.00 N ATOM 0 H HIS A 126 -13.192 2.737 -3.859 1.00 0.00 H new ATOM 0 HA HIS A 126 -15.159 4.561 -2.653 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.263 3.798 -1.267 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.127 4.389 -2.463 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -15.050 5.932 -0.338 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.273 6.820 -2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.408 8.324 0.376 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.157 5.344 -5.165 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.862 6.357 -6.189 1.00 0.00 C ATOM 2034 C PHE A 127 -13.791 6.355 -7.412 1.00 0.00 C ATOM 2035 O PHE A 127 -13.665 7.243 -8.257 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.389 6.230 -6.613 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.398 6.889 -5.675 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -10.407 8.288 -5.525 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.417 6.127 -5.016 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -9.412 8.927 -4.768 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.408 6.764 -4.275 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.400 8.166 -4.163 1.00 0.00 C ATOM 0 H PHE A 127 -12.605 4.492 -5.270 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.052 7.322 -5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.140 5.172 -6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.273 6.665 -7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.184 8.874 -5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.439 5.049 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.425 10.001 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.640 6.178 -3.792 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.613 8.658 -3.610 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.753 5.425 -7.515 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.663 5.305 -8.673 1.00 0.00 C ATOM 2054 C LYS A 128 -16.378 6.604 -9.084 1.00 0.00 C ATOM 2055 O LYS A 128 -16.598 6.830 -10.272 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.661 4.142 -8.484 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.845 4.388 -7.531 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.445 4.468 -6.054 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.688 4.629 -5.174 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.348 4.595 -3.728 1.00 0.00 N ATOM 0 H LYS A 128 -14.926 4.727 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.010 5.078 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -17.062 3.877 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.108 3.276 -8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.340 5.317 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.573 3.587 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.903 3.567 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.770 5.309 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -19.180 5.572 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.398 3.834 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.161 4.236 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -17.530 3.970 -3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.114 5.555 -3.404 1.00 0.00 H new