USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 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 77 TYR OH : rot -6:sc= 1.15 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.977 X(o=2.1,f=1.9) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -149:sc= 0.863 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= 1.19 K(o=2,f=-2.1) USER MOD Set 3.1: A 51 SER OG : rot 43:sc= 1.69 USER MOD Set 3.2: A 126 HIS : no HD1:sc= 0.448 K(o=2.1,f=-2.4!) USER MOD Set 4.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -157:sc= 0.881 (180deg=0.532) USER MOD Set 5.1: A 9 SER OG : rot 28:sc= 1.05 USER MOD Set 5.2: A 52 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0606 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 2.6 (180deg=2.6) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 TYR OH : rot -18:sc= 0.1 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00371 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.66) USER MOD Single : A 50 THR OG1 : rot 41:sc= 1.33 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 70:sc= 0.0365 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= -0.0119 X(o=-0.012,f=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 180:sc= 0.784 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= 1.04 K(o=1,f=0) USER MOD Single : A 103 SER OG : rot -33:sc= 0.672 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -84:sc= 1.25 USER MOD Single : A 124 GLN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.377 9.242 6.926 1.00 0.00 N ATOM 187 CA SER A 9 -12.475 8.260 6.885 1.00 0.00 C ATOM 188 C SER A 9 -11.998 6.900 6.373 1.00 0.00 C ATOM 189 O SER A 9 -11.470 6.801 5.268 1.00 0.00 O ATOM 190 CB SER A 9 -13.623 8.787 6.024 1.00 0.00 C ATOM 191 OG SER A 9 -14.280 9.845 6.706 1.00 0.00 O ATOM 0 HA SER A 9 -12.833 8.117 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.241 9.140 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.329 7.985 5.810 1.00 0.00 H new ATOM 0 HG SER A 9 -13.645 10.294 7.302 1.00 0.00 H new ATOM 197 N VAL A 10 -12.151 5.856 7.193 1.00 0.00 N ATOM 198 CA VAL A 10 -11.593 4.507 6.956 1.00 0.00 C ATOM 199 C VAL A 10 -12.305 3.727 5.838 1.00 0.00 C ATOM 200 O VAL A 10 -13.499 3.916 5.593 1.00 0.00 O ATOM 201 CB VAL A 10 -11.508 3.733 8.288 1.00 0.00 C ATOM 202 CG1 VAL A 10 -12.875 3.289 8.823 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.586 2.514 8.207 1.00 0.00 C ATOM 0 H VAL A 10 -12.678 5.920 8.064 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.580 4.632 6.573 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.084 4.453 8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.741 2.751 9.761 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.501 4.165 8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.356 2.635 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.565 2.009 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.957 1.827 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.578 2.837 7.945 1.00 0.00 H new ATOM 213 N LEU A 11 -11.556 2.856 5.151 1.00 0.00 N ATOM 214 CA LEU A 11 -11.967 2.126 3.941 1.00 0.00 C ATOM 215 C LEU A 11 -11.599 0.631 4.003 1.00 0.00 C ATOM 216 O LEU A 11 -12.389 -0.212 3.579 1.00 0.00 O ATOM 217 CB LEU A 11 -11.310 2.783 2.707 1.00 0.00 C ATOM 218 CG LEU A 11 -11.734 4.233 2.403 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.926 4.767 1.219 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.217 4.341 2.046 1.00 0.00 C ATOM 0 H LEU A 11 -10.603 2.629 5.435 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.053 2.182 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.229 2.763 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.532 2.170 1.833 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.548 4.814 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.227 5.793 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.864 4.744 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.110 4.145 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.467 5.382 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.423 3.737 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.819 3.981 2.880 1.00 0.00 H new ATOM 232 N CYS A 12 -10.426 0.297 4.555 1.00 0.00 N ATOM 233 CA CYS A 12 -9.987 -1.077 4.827 1.00 0.00 C ATOM 234 C CYS A 12 -9.006 -1.106 6.001 1.00 0.00 C ATOM 235 O CYS A 12 -8.120 -0.257 6.095 1.00 0.00 O ATOM 236 CB CYS A 12 -9.330 -1.666 3.571 1.00 0.00 C ATOM 237 SG CYS A 12 -8.971 -3.433 3.790 1.00 0.00 S ATOM 0 H CYS A 12 -9.736 0.995 4.833 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.856 -1.679 5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.989 -1.529 2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.407 -1.128 3.353 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.419 -3.901 2.710 1.00 0.00 H new ATOM 243 N VAL A 13 -9.138 -2.106 6.871 1.00 0.00 N ATOM 244 CA VAL A 13 -8.187 -2.407 7.950 1.00 0.00 C ATOM 245 C VAL A 13 -7.859 -3.901 7.932 1.00 0.00 C ATOM 246 O VAL A 13 -8.767 -4.734 7.962 1.00 0.00 O ATOM 247 CB VAL A 13 -8.733 -1.961 9.323 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.767 -2.283 10.471 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.992 -0.449 9.350 1.00 0.00 C ATOM 0 H VAL A 13 -9.929 -2.749 6.848 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.269 -1.843 7.783 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.661 -2.515 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.199 -1.949 11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.595 -3.359 10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.820 -1.770 10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.376 -0.163 10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.061 0.083 9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.723 -0.191 8.584 1.00 0.00 H new ATOM 259 N LYS A 14 -6.562 -4.237 7.904 1.00 0.00 N ATOM 260 CA LYS A 14 -6.036 -5.613 8.016 1.00 0.00 C ATOM 261 C LYS A 14 -4.940 -5.686 9.096 1.00 0.00 C ATOM 262 O LYS A 14 -4.070 -4.813 9.117 1.00 0.00 O ATOM 263 CB LYS A 14 -5.518 -6.141 6.660 1.00 0.00 C ATOM 264 CG LYS A 14 -6.555 -6.175 5.522 1.00 0.00 C ATOM 265 CD LYS A 14 -7.660 -7.216 5.742 1.00 0.00 C ATOM 266 CE LYS A 14 -8.630 -7.219 4.560 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.666 -8.268 4.724 1.00 0.00 N ATOM 0 H LYS A 14 -5.824 -3.541 7.800 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.860 -6.260 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.679 -5.521 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.132 -7.150 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.008 -5.189 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.046 -6.388 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.218 -8.205 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.199 -6.995 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.107 -6.243 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.080 -7.388 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.311 -8.249 3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.210 -9.201 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.204 -8.091 5.596 1.00 0.00 H new ATOM 281 N PRO A 15 -4.939 -6.699 9.982 1.00 0.00 N ATOM 282 CA PRO A 15 -4.024 -6.757 11.129 1.00 0.00 C ATOM 283 C PRO A 15 -2.587 -7.188 10.792 1.00 0.00 C ATOM 284 O PRO A 15 -1.687 -6.959 11.600 1.00 0.00 O ATOM 285 CB PRO A 15 -4.656 -7.766 12.088 1.00 0.00 C ATOM 286 CG PRO A 15 -5.421 -8.707 11.160 1.00 0.00 C ATOM 287 CD PRO A 15 -5.917 -7.776 10.060 1.00 0.00 C ATOM 0 HA PRO A 15 -3.911 -5.755 11.544 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.901 -8.298 12.666 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.320 -7.279 12.803 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.779 -9.493 10.764 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.246 -9.199 11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.996 -8.302 9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.908 -7.388 10.293 1.00 0.00 H new ATOM 295 N ASP A 16 -2.366 -7.819 9.635 1.00 0.00 N ATOM 296 CA ASP A 16 -1.072 -8.375 9.226 1.00 0.00 C ATOM 297 C ASP A 16 -0.691 -7.910 7.813 1.00 0.00 C ATOM 298 O ASP A 16 -1.278 -8.339 6.815 1.00 0.00 O ATOM 299 CB ASP A 16 -1.106 -9.910 9.310 1.00 0.00 C ATOM 300 CG ASP A 16 -1.096 -10.415 10.762 1.00 0.00 C ATOM 301 OD1 ASP A 16 -2.163 -10.834 11.272 1.00 0.00 O ATOM 302 OD2 ASP A 16 -0.008 -10.429 11.387 1.00 0.00 O ATOM 0 H ASP A 16 -3.099 -7.961 8.940 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.307 -8.006 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.999 -10.280 8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.247 -10.320 8.779 1.00 0.00 H new ATOM 307 N VAL A 17 0.318 -7.042 7.742 1.00 0.00 N ATOM 308 CA VAL A 17 0.970 -6.583 6.507 1.00 0.00 C ATOM 309 C VAL A 17 2.476 -6.407 6.742 1.00 0.00 C ATOM 310 O VAL A 17 2.906 -5.960 7.810 1.00 0.00 O ATOM 311 CB VAL A 17 0.289 -5.313 5.949 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.458 -4.065 6.824 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.785 -4.973 4.542 1.00 0.00 C ATOM 0 H VAL A 17 0.724 -6.619 8.577 1.00 0.00 H new ATOM 0 HA VAL A 17 0.851 -7.344 5.736 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.770 -5.572 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.051 -3.222 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.027 -4.249 7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.518 -3.836 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.282 -4.074 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.861 -4.801 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.566 -5.802 3.869 1.00 0.00 H new ATOM 323 N SER A 18 3.282 -6.775 5.746 1.00 0.00 N ATOM 324 CA SER A 18 4.747 -6.850 5.851 1.00 0.00 C ATOM 325 C SER A 18 5.426 -5.980 4.795 1.00 0.00 C ATOM 326 O SER A 18 5.147 -6.141 3.610 1.00 0.00 O ATOM 327 CB SER A 18 5.195 -8.308 5.695 1.00 0.00 C ATOM 328 OG SER A 18 4.608 -9.129 6.695 1.00 0.00 O ATOM 0 H SER A 18 2.932 -7.035 4.824 1.00 0.00 H new ATOM 0 HA SER A 18 5.041 -6.475 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.915 -8.675 4.707 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.281 -8.368 5.761 1.00 0.00 H new ATOM 0 HG SER A 18 4.906 -10.055 6.575 1.00 0.00 H new ATOM 334 N VAL A 19 6.311 -5.068 5.211 1.00 0.00 N ATOM 335 CA VAL A 19 7.038 -4.130 4.336 1.00 0.00 C ATOM 336 C VAL A 19 8.381 -4.683 3.892 1.00 0.00 C ATOM 337 O VAL A 19 9.171 -5.183 4.694 1.00 0.00 O ATOM 338 CB VAL A 19 7.215 -2.738 4.977 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.152 -1.800 4.193 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.867 -2.025 5.066 1.00 0.00 C ATOM 0 H VAL A 19 6.552 -4.955 6.196 1.00 0.00 H new ATOM 0 HA VAL A 19 6.413 -4.009 3.451 1.00 0.00 H new ATOM 0 HB VAL A 19 7.654 -2.934 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.223 -0.842 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.143 -2.250 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.754 -1.643 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.004 -1.044 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.451 -1.907 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.183 -2.615 5.676 1.00 0.00 H new ATOM 350 N TYR A 20 8.674 -4.471 2.613 1.00 0.00 N ATOM 351 CA TYR A 20 9.978 -4.678 2.005 1.00 0.00 C ATOM 352 C TYR A 20 10.385 -3.394 1.269 1.00 0.00 C ATOM 353 O TYR A 20 9.670 -2.919 0.384 1.00 0.00 O ATOM 354 CB TYR A 20 9.945 -5.901 1.067 1.00 0.00 C ATOM 355 CG TYR A 20 8.938 -6.978 1.432 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.229 -7.911 2.443 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.687 -7.011 0.789 1.00 0.00 C ATOM 358 CE1 TYR A 20 8.268 -8.866 2.826 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.730 -7.977 1.150 1.00 0.00 C ATOM 360 CZ TYR A 20 7.014 -8.905 2.175 1.00 0.00 C ATOM 361 OH TYR A 20 6.089 -9.845 2.512 1.00 0.00 O ATOM 0 H TYR A 20 7.978 -4.136 1.946 1.00 0.00 H new ATOM 0 HA TYR A 20 10.725 -4.890 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.731 -5.556 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.939 -6.349 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.194 -7.895 2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.461 -6.292 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.489 -9.568 3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.777 -8.009 0.642 1.00 0.00 H new ATOM 0 HH TYR A 20 6.197 -10.086 3.456 1.00 0.00 H new ATOM 371 N ARG A 21 11.542 -2.823 1.612 1.00 0.00 N ATOM 372 CA ARG A 21 12.198 -1.793 0.781 1.00 0.00 C ATOM 373 C ARG A 21 12.704 -2.453 -0.511 1.00 0.00 C ATOM 374 O ARG A 21 13.613 -3.283 -0.478 1.00 0.00 O ATOM 375 CB ARG A 21 13.315 -1.078 1.571 1.00 0.00 C ATOM 376 CG ARG A 21 12.858 0.251 2.200 1.00 0.00 C ATOM 377 CD ARG A 21 11.738 0.126 3.244 1.00 0.00 C ATOM 378 NE ARG A 21 11.283 1.464 3.675 1.00 0.00 N ATOM 379 CZ ARG A 21 11.295 1.994 4.887 1.00 0.00 C ATOM 380 NH1 ARG A 21 10.857 3.209 5.062 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.727 1.375 5.947 1.00 0.00 N ATOM 0 H ARG A 21 12.052 -3.054 2.464 1.00 0.00 H new ATOM 0 HA ARG A 21 11.485 -1.015 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.675 -1.740 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.157 -0.887 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.719 0.728 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.519 0.914 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.901 -0.432 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.096 -0.438 4.105 1.00 0.00 H new ATOM 0 HE ARG A 21 10.908 2.061 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.508 3.745 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.863 3.624 5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.084 0.423 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.708 1.842 6.854 1.00 0.00 H new ATOM 395 N ILE A 22 12.054 -2.135 -1.632 1.00 0.00 N ATOM 396 CA ILE A 22 12.188 -2.861 -2.907 1.00 0.00 C ATOM 397 C ILE A 22 13.439 -2.467 -3.720 1.00 0.00 C ATOM 398 O ILE A 22 13.927 -1.339 -3.591 1.00 0.00 O ATOM 399 CB ILE A 22 10.910 -2.716 -3.770 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.580 -1.249 -4.126 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.726 -3.409 -3.083 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.350 -1.124 -5.030 1.00 0.00 C ATOM 0 H ILE A 22 11.405 -1.350 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 22 12.319 -3.908 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 22 11.107 -3.212 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.410 -0.686 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.439 -0.798 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.833 -3.300 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.950 -4.468 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.552 -2.952 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.164 -0.072 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.527 -1.662 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.482 -1.548 -4.525 1.00 0.00 H new ATOM 532 N TYR A 31 7.285 -4.888 -10.929 1.00 0.00 N ATOM 533 CA TYR A 31 7.949 -5.661 -9.896 1.00 0.00 C ATOM 534 C TYR A 31 7.450 -7.102 -9.922 1.00 0.00 C ATOM 535 O TYR A 31 6.303 -7.369 -10.278 1.00 0.00 O ATOM 536 CB TYR A 31 7.573 -5.039 -8.554 1.00 0.00 C ATOM 537 CG TYR A 31 7.696 -3.534 -8.518 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.544 -2.728 -8.469 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.966 -2.945 -8.577 1.00 0.00 C ATOM 540 CE1 TYR A 31 6.672 -1.335 -8.351 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.099 -1.557 -8.425 1.00 0.00 C ATOM 542 CZ TYR A 31 7.952 -0.741 -8.302 1.00 0.00 C ATOM 543 OH TYR A 31 8.072 0.606 -8.158 1.00 0.00 O ATOM 0 HA TYR A 31 9.028 -5.656 -10.053 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.547 -5.315 -8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.209 -5.464 -7.777 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.564 -3.179 -8.522 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.840 -3.558 -8.739 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.789 -0.716 -8.298 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.082 -1.110 -8.402 1.00 0.00 H new ATOM 0 HH TYR A 31 7.223 1.037 -8.390 1.00 0.00 H new ATOM 553 N ARG A 32 8.266 -8.022 -9.424 1.00 0.00 N ATOM 554 CA ARG A 32 7.842 -9.370 -9.039 1.00 0.00 C ATOM 555 C ARG A 32 8.209 -9.584 -7.584 1.00 0.00 C ATOM 556 O ARG A 32 9.330 -9.296 -7.169 1.00 0.00 O ATOM 557 CB ARG A 32 8.351 -10.465 -9.995 1.00 0.00 C ATOM 558 CG ARG A 32 9.869 -10.691 -10.083 1.00 0.00 C ATOM 559 CD ARG A 32 10.614 -9.481 -10.658 1.00 0.00 C ATOM 560 NE ARG A 32 12.041 -9.777 -10.848 1.00 0.00 N ATOM 561 CZ ARG A 32 12.671 -10.259 -11.897 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.950 -10.458 -11.791 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.077 -10.546 -13.021 1.00 0.00 N ATOM 0 H ARG A 32 9.260 -7.853 -9.272 1.00 0.00 H new ATOM 0 HA ARG A 32 6.760 -9.456 -9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.889 -11.407 -9.701 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.989 -10.231 -10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.257 -10.913 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.067 -11.564 -10.705 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.169 -9.196 -11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.503 -8.629 -9.987 1.00 0.00 H new ATOM 0 HE ARG A 32 12.634 -9.578 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.429 -10.242 -10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.475 -10.831 -12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.072 -10.399 -13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.617 -10.918 -13.803 1.00 0.00 H new ATOM 577 N ALA A 33 7.241 -10.065 -6.820 1.00 0.00 N ATOM 578 CA ALA A 33 7.324 -10.200 -5.374 1.00 0.00 C ATOM 579 C ALA A 33 8.543 -11.024 -4.909 1.00 0.00 C ATOM 580 O ALA A 33 9.163 -10.702 -3.899 1.00 0.00 O ATOM 581 CB ALA A 33 5.994 -10.832 -4.973 1.00 0.00 C ATOM 0 H ALA A 33 6.349 -10.382 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 33 7.480 -9.236 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.969 -10.971 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.175 -10.178 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.887 -11.798 -5.466 1.00 0.00 H new ATOM 587 N SER A 34 8.950 -12.032 -5.687 1.00 0.00 N ATOM 588 CA SER A 34 10.139 -12.862 -5.442 1.00 0.00 C ATOM 589 C SER A 34 11.485 -12.117 -5.532 1.00 0.00 C ATOM 590 O SER A 34 12.498 -12.643 -5.068 1.00 0.00 O ATOM 591 CB SER A 34 10.130 -14.044 -6.419 1.00 0.00 C ATOM 592 OG SER A 34 10.010 -13.584 -7.760 1.00 0.00 O ATOM 0 H SER A 34 8.447 -12.303 -6.532 1.00 0.00 H new ATOM 0 HA SER A 34 10.068 -13.195 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.048 -14.622 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.302 -14.712 -6.182 1.00 0.00 H new ATOM 0 HG SER A 34 10.008 -14.351 -8.370 1.00 0.00 H new ATOM 598 N ASP A 35 11.520 -10.892 -6.072 1.00 0.00 N ATOM 599 CA ASP A 35 12.699 -10.010 -6.040 1.00 0.00 C ATOM 600 C ASP A 35 12.815 -9.215 -4.716 1.00 0.00 C ATOM 601 O ASP A 35 13.839 -8.582 -4.453 1.00 0.00 O ATOM 602 CB ASP A 35 12.699 -9.081 -7.274 1.00 0.00 C ATOM 603 CG ASP A 35 14.075 -9.058 -7.968 1.00 0.00 C ATOM 604 OD1 ASP A 35 15.041 -8.473 -7.429 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.187 -9.632 -9.078 1.00 0.00 O ATOM 0 H ASP A 35 10.720 -10.478 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 35 13.587 -10.641 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.940 -9.415 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.428 -8.070 -6.969 1.00 0.00 H new ATOM 610 N TRP A 36 11.777 -9.238 -3.868 1.00 0.00 N ATOM 611 CA TRP A 36 11.708 -8.537 -2.588 1.00 0.00 C ATOM 612 C TRP A 36 12.133 -9.443 -1.414 1.00 0.00 C ATOM 613 O TRP A 36 12.307 -10.658 -1.550 1.00 0.00 O ATOM 614 CB TRP A 36 10.281 -8.002 -2.379 1.00 0.00 C ATOM 615 CG TRP A 36 9.613 -7.210 -3.473 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.170 -6.692 -4.597 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.212 -6.808 -3.514 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.214 -5.996 -5.319 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.998 -6.015 -4.678 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.100 -7.027 -2.671 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.762 -5.434 -4.972 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.853 -6.433 -2.945 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.687 -5.642 -4.093 1.00 0.00 C ATOM 0 H TRP A 36 10.930 -9.769 -4.068 1.00 0.00 H new ATOM 0 HA TRP A 36 12.409 -7.703 -2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.642 -8.857 -2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.295 -7.377 -1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.205 -6.805 -4.886 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.389 -5.530 -6.209 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.208 -7.660 -1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.635 -4.834 -5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.023 -6.586 -2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.728 -5.191 -4.301 1.00 0.00 H new ATOM 634 N LYS A 37 12.268 -8.845 -0.226 1.00 0.00 N ATOM 635 CA LYS A 37 12.726 -9.485 1.026 1.00 0.00 C ATOM 636 C LYS A 37 11.643 -10.311 1.745 1.00 0.00 C ATOM 637 O LYS A 37 11.450 -10.176 2.952 1.00 0.00 O ATOM 638 CB LYS A 37 13.369 -8.437 1.938 1.00 0.00 C ATOM 639 CG LYS A 37 14.683 -7.919 1.349 1.00 0.00 C ATOM 640 CD LYS A 37 15.399 -7.053 2.386 1.00 0.00 C ATOM 641 CE LYS A 37 16.216 -7.825 3.435 1.00 0.00 C ATOM 642 NZ LYS A 37 17.469 -8.395 2.870 1.00 0.00 N ATOM 0 H LYS A 37 12.053 -7.856 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 37 13.479 -10.223 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.680 -7.605 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.554 -8.871 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.318 -8.755 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.486 -7.338 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.065 -6.366 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.656 -6.445 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.463 -7.159 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.607 -8.630 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.985 -8.906 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.235 -9.052 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.065 -7.626 2.501 1.00 0.00 H new ATOM 656 N LEU A 38 10.925 -11.163 1.015 1.00 0.00 N ATOM 657 CA LEU A 38 9.692 -11.824 1.483 1.00 0.00 C ATOM 658 C LEU A 38 9.825 -12.608 2.803 1.00 0.00 C ATOM 659 O LEU A 38 8.887 -12.621 3.600 1.00 0.00 O ATOM 660 CB LEU A 38 9.157 -12.758 0.388 1.00 0.00 C ATOM 661 CG LEU A 38 8.770 -12.070 -0.932 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.155 -13.130 -1.853 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.761 -10.938 -0.740 1.00 0.00 C ATOM 0 H LEU A 38 11.183 -11.423 0.063 1.00 0.00 H new ATOM 0 HA LEU A 38 8.996 -11.012 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.914 -13.514 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.283 -13.282 0.775 1.00 0.00 H new ATOM 0 HG LEU A 38 9.670 -11.627 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.870 -12.669 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.885 -13.918 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.272 -13.557 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.527 -10.491 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.849 -11.335 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.186 -10.179 -0.083 1.00 0.00 H new ATOM 675 N ASP A 39 10.977 -13.237 3.053 1.00 0.00 N ATOM 676 CA ASP A 39 11.238 -14.024 4.273 1.00 0.00 C ATOM 677 C ASP A 39 11.928 -13.207 5.394 1.00 0.00 C ATOM 678 O ASP A 39 12.153 -13.713 6.495 1.00 0.00 O ATOM 679 CB ASP A 39 12.011 -15.294 3.884 1.00 0.00 C ATOM 680 CG ASP A 39 12.047 -16.350 5.006 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.150 -16.838 5.354 1.00 0.00 O ATOM 682 OD2 ASP A 39 10.964 -16.751 5.500 1.00 0.00 O ATOM 0 H ASP A 39 11.768 -13.217 2.409 1.00 0.00 H new ATOM 0 HA ASP A 39 10.284 -14.314 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.555 -15.732 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.032 -15.022 3.616 1.00 0.00 H new ATOM 687 N GLN A 40 12.248 -11.935 5.127 1.00 0.00 N ATOM 688 CA GLN A 40 12.903 -10.996 6.051 1.00 0.00 C ATOM 689 C GLN A 40 12.403 -9.544 5.844 1.00 0.00 C ATOM 690 O GLN A 40 13.175 -8.685 5.400 1.00 0.00 O ATOM 691 CB GLN A 40 14.446 -11.129 5.976 1.00 0.00 C ATOM 692 CG GLN A 40 15.067 -11.256 4.569 1.00 0.00 C ATOM 693 CD GLN A 40 15.054 -12.670 3.983 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.196 -13.675 4.664 1.00 0.00 O ATOM 695 NE2 GLN A 40 14.919 -12.804 2.679 1.00 0.00 N ATOM 0 H GLN A 40 12.049 -11.511 4.221 1.00 0.00 H new ATOM 0 HA GLN A 40 12.618 -11.264 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.886 -10.259 6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.740 -12.003 6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.531 -10.592 3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.098 -10.905 4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.799 -11.979 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.934 -13.733 2.257 1.00 0.00 H new ATOM 704 N PRO A 41 11.119 -9.239 6.146 1.00 0.00 N ATOM 705 CA PRO A 41 10.570 -7.884 6.048 1.00 0.00 C ATOM 706 C PRO A 41 11.361 -6.860 6.872 1.00 0.00 C ATOM 707 O PRO A 41 11.840 -7.141 7.974 1.00 0.00 O ATOM 708 CB PRO A 41 9.104 -7.967 6.500 1.00 0.00 C ATOM 709 CG PRO A 41 9.061 -9.248 7.332 1.00 0.00 C ATOM 710 CD PRO A 41 10.104 -10.142 6.666 1.00 0.00 C ATOM 0 HA PRO A 41 10.643 -7.528 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.815 -7.096 7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.424 -8.017 5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.305 -9.056 8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.071 -9.705 7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.533 -10.844 7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.659 -10.734 5.866 1.00 0.00 H new ATOM 718 N ASP A 42 11.466 -5.646 6.334 1.00 0.00 N ATOM 719 CA ASP A 42 12.129 -4.508 6.978 1.00 0.00 C ATOM 720 C ASP A 42 11.281 -3.930 8.130 1.00 0.00 C ATOM 721 O ASP A 42 11.821 -3.407 9.107 1.00 0.00 O ATOM 722 CB ASP A 42 12.422 -3.458 5.899 1.00 0.00 C ATOM 723 CG ASP A 42 13.255 -2.287 6.440 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.417 -2.506 6.854 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.755 -1.139 6.406 1.00 0.00 O ATOM 0 H ASP A 42 11.084 -5.419 5.416 1.00 0.00 H new ATOM 0 HA ASP A 42 13.064 -4.834 7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.954 -3.928 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.482 -3.079 5.499 1.00 0.00 H new ATOM 730 N TRP A 43 9.955 -4.082 8.037 1.00 0.00 N ATOM 731 CA TRP A 43 8.982 -3.785 9.098 1.00 0.00 C ATOM 732 C TRP A 43 7.720 -4.650 8.935 1.00 0.00 C ATOM 733 O TRP A 43 7.367 -5.024 7.817 1.00 0.00 O ATOM 734 CB TRP A 43 8.639 -2.286 9.057 1.00 0.00 C ATOM 735 CG TRP A 43 7.501 -1.827 9.918 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.597 -1.285 11.154 1.00 0.00 C ATOM 737 CD2 TRP A 43 6.078 -1.814 9.591 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.341 -0.917 11.599 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.370 -1.184 10.656 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.319 -2.268 8.492 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.986 -0.957 10.602 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.933 -2.026 8.422 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.266 -1.374 9.472 1.00 0.00 C ATOM 0 H TRP A 43 9.511 -4.429 7.187 1.00 0.00 H new ATOM 0 HA TRP A 43 9.415 -4.024 10.069 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.529 -1.726 9.344 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.413 -2.018 8.025 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.515 -1.159 11.709 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.155 -0.500 12.511 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.807 -2.808 7.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.481 -0.467 11.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.378 -2.345 7.552 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.203 -1.194 9.410 1.00 0.00 H new ATOM 754 N THR A 44 7.010 -4.943 10.028 1.00 0.00 N ATOM 755 CA THR A 44 5.695 -5.611 10.002 1.00 0.00 C ATOM 756 C THR A 44 4.694 -4.930 10.928 1.00 0.00 C ATOM 757 O THR A 44 5.043 -4.505 12.034 1.00 0.00 O ATOM 758 CB THR A 44 5.770 -7.098 10.378 1.00 0.00 C ATOM 759 OG1 THR A 44 6.362 -7.281 11.650 1.00 0.00 O ATOM 760 CG2 THR A 44 6.563 -7.903 9.362 1.00 0.00 C ATOM 0 H THR A 44 7.332 -4.722 10.970 1.00 0.00 H new ATOM 0 HA THR A 44 5.358 -5.529 8.969 1.00 0.00 H new ATOM 0 HB THR A 44 4.740 -7.455 10.395 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.394 -8.237 11.861 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.590 -8.949 9.668 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.088 -7.823 8.384 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.580 -7.515 9.304 1.00 0.00 H new ATOM 768 N GLY A 45 3.433 -4.875 10.503 1.00 0.00 N ATOM 769 CA GLY A 45 2.363 -4.247 11.275 1.00 0.00 C ATOM 770 C GLY A 45 0.982 -4.351 10.643 1.00 0.00 C ATOM 771 O GLY A 45 0.636 -5.374 10.051 1.00 0.00 O ATOM 0 H GLY A 45 3.124 -5.265 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.331 -4.703 12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.605 -3.194 11.417 1.00 0.00 H new ATOM 775 N ARG A 46 0.185 -3.296 10.823 1.00 0.00 N ATOM 776 CA ARG A 46 -1.234 -3.202 10.461 1.00 0.00 C ATOM 777 C ARG A 46 -1.433 -2.285 9.250 1.00 0.00 C ATOM 778 O ARG A 46 -0.759 -1.262 9.116 1.00 0.00 O ATOM 779 CB ARG A 46 -2.041 -2.683 11.667 1.00 0.00 C ATOM 780 CG ARG A 46 -1.818 -3.454 12.982 1.00 0.00 C ATOM 781 CD ARG A 46 -2.661 -2.811 14.093 1.00 0.00 C ATOM 782 NE ARG A 46 -2.474 -3.472 15.402 1.00 0.00 N ATOM 783 CZ ARG A 46 -2.820 -2.981 16.580 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.490 -3.597 17.679 1.00 0.00 N ATOM 785 NH2 ARG A 46 -3.501 -1.876 16.699 1.00 0.00 N ATOM 0 H ARG A 46 0.530 -2.436 11.249 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.591 -4.195 10.189 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.788 -1.636 11.830 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.102 -2.719 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.097 -4.500 12.856 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.762 -3.436 13.253 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.397 -1.757 14.181 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.714 -2.853 13.816 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.037 -4.394 15.396 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.959 -4.467 17.636 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.762 -3.209 18.582 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.785 -1.360 15.866 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.750 -1.528 17.625 1.00 0.00 H new ATOM 799 N LEU A 47 -2.391 -2.633 8.397 1.00 0.00 N ATOM 800 CA LEU A 47 -2.882 -1.816 7.285 1.00 0.00 C ATOM 801 C LEU A 47 -4.069 -0.963 7.742 1.00 0.00 C ATOM 802 O LEU A 47 -4.978 -1.483 8.394 1.00 0.00 O ATOM 803 CB LEU A 47 -3.320 -2.760 6.153 1.00 0.00 C ATOM 804 CG LEU A 47 -3.956 -2.061 4.936 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.930 -1.250 4.144 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.573 -3.115 4.027 1.00 0.00 C ATOM 0 H LEU A 47 -2.870 -3.531 8.462 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.095 -1.148 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.452 -3.327 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.034 -3.479 6.555 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.717 -1.371 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.420 -0.774 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.495 -0.485 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.142 -1.912 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.026 -2.630 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.798 -3.805 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.337 -3.666 4.575 1.00 0.00 H new ATOM 818 N ARG A 48 -4.115 0.302 7.316 1.00 0.00 N ATOM 819 CA ARG A 48 -5.265 1.200 7.486 1.00 0.00 C ATOM 820 C ARG A 48 -5.415 2.120 6.268 1.00 0.00 C ATOM 821 O ARG A 48 -4.718 3.122 6.133 1.00 0.00 O ATOM 822 CB ARG A 48 -5.092 1.944 8.825 1.00 0.00 C ATOM 823 CG ARG A 48 -6.334 2.744 9.250 1.00 0.00 C ATOM 824 CD ARG A 48 -6.259 4.231 8.894 1.00 0.00 C ATOM 825 NE ARG A 48 -5.252 4.938 9.701 1.00 0.00 N ATOM 826 CZ ARG A 48 -4.981 6.223 9.662 1.00 0.00 C ATOM 827 NH1 ARG A 48 -4.247 6.730 10.603 1.00 0.00 N ATOM 828 NH2 ARG A 48 -5.418 7.004 8.721 1.00 0.00 N ATOM 0 H ARG A 48 -3.334 0.743 6.830 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.202 0.646 7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.852 1.221 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.242 2.622 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.215 2.310 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.469 2.644 10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.018 4.339 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.235 4.691 9.047 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.710 4.374 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.894 6.134 11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.023 7.725 10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.997 6.625 7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.182 7.996 8.731 1.00 0.00 H new ATOM 842 N ILE A 49 -6.326 1.769 5.364 1.00 0.00 N ATOM 843 CA ILE A 49 -6.693 2.577 4.190 1.00 0.00 C ATOM 844 C ILE A 49 -7.778 3.572 4.602 1.00 0.00 C ATOM 845 O ILE A 49 -8.753 3.205 5.259 1.00 0.00 O ATOM 846 CB ILE A 49 -7.124 1.703 2.987 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.075 0.603 2.723 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.345 2.557 1.722 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.358 -0.232 1.474 1.00 0.00 C ATOM 0 H ILE A 49 -6.846 0.894 5.424 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.817 3.126 3.846 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.074 1.231 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.093 1.066 2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.030 -0.058 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.647 1.913 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.126 3.293 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.419 3.070 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.578 -0.984 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.325 -0.725 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.373 0.417 0.598 1.00 0.00 H new ATOM 861 N THR A 50 -7.598 4.829 4.211 1.00 0.00 N ATOM 862 CA THR A 50 -8.386 5.995 4.644 1.00 0.00 C ATOM 863 C THR A 50 -8.588 6.989 3.493 1.00 0.00 C ATOM 864 O THR A 50 -7.983 6.829 2.437 1.00 0.00 O ATOM 865 CB THR A 50 -7.719 6.689 5.858 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.369 6.334 6.088 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.426 6.295 7.145 1.00 0.00 C ATOM 0 H THR A 50 -6.864 5.083 3.550 1.00 0.00 H new ATOM 0 HA THR A 50 -9.369 5.637 4.951 1.00 0.00 H new ATOM 0 HB THR A 50 -7.784 7.748 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.894 6.283 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.947 6.790 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.472 6.598 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.367 5.215 7.276 1.00 0.00 H new ATOM 875 N SER A 51 -9.425 8.019 3.653 1.00 0.00 N ATOM 876 CA SER A 51 -9.582 9.108 2.677 1.00 0.00 C ATOM 877 C SER A 51 -10.113 10.388 3.310 1.00 0.00 C ATOM 878 O SER A 51 -10.908 10.348 4.254 1.00 0.00 O ATOM 879 CB SER A 51 -10.521 8.663 1.549 1.00 0.00 C ATOM 880 OG SER A 51 -10.725 9.701 0.600 1.00 0.00 O ATOM 0 H SER A 51 -10.021 8.123 4.474 1.00 0.00 H new ATOM 0 HA SER A 51 -8.592 9.329 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.103 7.789 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.480 8.361 1.970 1.00 0.00 H new ATOM 0 HG SER A 51 -9.871 10.141 0.408 1.00 0.00 H new ATOM 886 N LYS A 52 -9.704 11.529 2.742 1.00 0.00 N ATOM 887 CA LYS A 52 -10.489 12.760 2.769 1.00 0.00 C ATOM 888 C LYS A 52 -10.230 13.656 1.548 1.00 0.00 C ATOM 889 O LYS A 52 -9.084 13.929 1.200 1.00 0.00 O ATOM 890 CB LYS A 52 -10.242 13.500 4.086 1.00 0.00 C ATOM 891 CG LYS A 52 -11.328 14.538 4.393 1.00 0.00 C ATOM 892 CD LYS A 52 -12.759 13.992 4.517 1.00 0.00 C ATOM 893 CE LYS A 52 -12.894 12.917 5.601 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.312 12.504 5.762 1.00 0.00 N ATOM 0 H LYS A 52 -8.815 11.620 2.250 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.543 12.488 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.195 12.778 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.272 13.996 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.070 15.042 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.314 15.294 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.438 14.814 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.068 13.575 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.286 12.051 5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.512 13.299 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.351 11.527 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.784 13.138 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.796 12.557 4.843 1.00 0.00 H new ATOM 908 N GLY A 53 -11.307 14.143 0.928 1.00 0.00 N ATOM 909 CA GLY A 53 -11.284 15.231 -0.066 1.00 0.00 C ATOM 910 C GLY A 53 -10.678 14.842 -1.419 1.00 0.00 C ATOM 911 O GLY A 53 -9.684 15.433 -1.849 1.00 0.00 O ATOM 0 H GLY A 53 -12.246 13.786 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.304 15.582 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.719 16.069 0.344 1.00 0.00 H new ATOM 915 N LYS A 54 -11.259 13.824 -2.073 1.00 0.00 N ATOM 916 CA LYS A 54 -10.806 13.235 -3.358 1.00 0.00 C ATOM 917 C LYS A 54 -9.353 12.737 -3.316 1.00 0.00 C ATOM 918 O LYS A 54 -8.665 12.677 -4.334 1.00 0.00 O ATOM 919 CB LYS A 54 -11.094 14.178 -4.547 1.00 0.00 C ATOM 920 CG LYS A 54 -12.581 14.527 -4.698 1.00 0.00 C ATOM 921 CD LYS A 54 -12.796 15.464 -5.894 1.00 0.00 C ATOM 922 CE LYS A 54 -14.276 15.844 -5.995 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.523 16.793 -7.113 1.00 0.00 N ATOM 0 H LYS A 54 -12.094 13.364 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.403 12.337 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.523 15.098 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.742 13.710 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.162 13.615 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.943 15.003 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.188 16.361 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.473 14.975 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.874 14.945 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.602 16.294 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.535 17.028 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.971 17.661 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.235 16.354 -8.011 1.00 0.00 H new ATOM 937 N THR A 55 -8.904 12.367 -2.117 1.00 0.00 N ATOM 938 CA THR A 55 -7.559 11.871 -1.826 1.00 0.00 C ATOM 939 C THR A 55 -7.674 10.695 -0.863 1.00 0.00 C ATOM 940 O THR A 55 -8.243 10.835 0.223 1.00 0.00 O ATOM 941 CB THR A 55 -6.681 12.976 -1.214 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.677 14.139 -2.020 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.230 12.526 -1.092 1.00 0.00 C ATOM 0 H THR A 55 -9.494 12.406 -1.286 1.00 0.00 H new ATOM 0 HA THR A 55 -7.085 11.552 -2.754 1.00 0.00 H new ATOM 0 HB THR A 55 -7.106 13.188 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.559 14.565 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.635 13.329 -0.656 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.175 11.645 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.841 12.281 -2.080 1.00 0.00 H new ATOM 951 N ALA A 56 -7.164 9.531 -1.257 1.00 0.00 N ATOM 952 CA ALA A 56 -7.028 8.367 -0.387 1.00 0.00 C ATOM 953 C ALA A 56 -5.662 8.377 0.316 1.00 0.00 C ATOM 954 O ALA A 56 -4.717 9.013 -0.144 1.00 0.00 O ATOM 955 CB ALA A 56 -7.278 7.083 -1.183 1.00 0.00 C ATOM 0 H ALA A 56 -6.828 9.368 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.783 8.408 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.174 6.221 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.285 7.103 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.553 7.010 -1.993 1.00 0.00 H new ATOM 961 N TYR A 57 -5.568 7.662 1.429 1.00 0.00 N ATOM 962 CA TYR A 57 -4.425 7.616 2.331 1.00 0.00 C ATOM 963 C TYR A 57 -4.218 6.164 2.787 1.00 0.00 C ATOM 964 O TYR A 57 -4.915 5.694 3.688 1.00 0.00 O ATOM 965 CB TYR A 57 -4.704 8.553 3.527 1.00 0.00 C ATOM 966 CG TYR A 57 -4.905 10.027 3.193 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.826 10.772 2.678 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.146 10.664 3.426 1.00 0.00 C ATOM 969 CE1 TYR A 57 -3.982 12.141 2.387 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.305 12.033 3.132 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.225 12.775 2.611 1.00 0.00 C ATOM 972 OH TYR A 57 -5.382 14.100 2.342 1.00 0.00 O ATOM 0 H TYR A 57 -6.332 7.064 1.745 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.514 7.953 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.594 8.194 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.874 8.470 4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.875 10.291 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.974 10.100 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.151 12.707 1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.256 12.515 3.306 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.300 14.370 2.554 1.00 0.00 H new ATOM 982 N ILE A 58 -3.275 5.437 2.180 1.00 0.00 N ATOM 983 CA ILE A 58 -2.835 4.129 2.694 1.00 0.00 C ATOM 984 C ILE A 58 -1.864 4.406 3.836 1.00 0.00 C ATOM 985 O ILE A 58 -0.718 4.781 3.586 1.00 0.00 O ATOM 986 CB ILE A 58 -2.195 3.230 1.604 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.159 2.820 0.466 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.662 1.929 2.239 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.339 3.879 -0.624 1.00 0.00 C ATOM 0 H ILE A 58 -2.798 5.731 1.328 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.700 3.564 3.043 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.402 3.838 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.790 1.903 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.134 2.591 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.214 1.304 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.910 2.172 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.484 1.391 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.030 3.508 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.740 4.791 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.375 4.093 -1.086 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.312 4.242 5.084 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.451 4.362 6.267 1.00 0.00 C ATOM 1003 C LYS A 59 -1.122 2.995 6.869 1.00 0.00 C ATOM 1004 O LYS A 59 -1.950 2.086 6.911 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.038 5.360 7.278 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.330 6.714 6.601 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.196 7.910 7.551 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.651 9.174 6.818 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.368 10.401 7.600 1.00 0.00 N ATOM 0 H LYS A 59 -3.283 4.022 5.304 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.493 4.777 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.956 4.956 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.340 5.503 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.647 6.847 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.340 6.697 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.801 7.753 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.163 8.016 7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.148 9.235 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.720 9.111 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.089 11.120 7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.387 10.178 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.429 10.767 7.344 1.00 0.00 H new ATOM 1023 N LEU A 60 0.118 2.861 7.316 1.00 0.00 N ATOM 1024 CA LEU A 60 0.676 1.684 7.984 1.00 0.00 C ATOM 1025 C LEU A 60 0.904 1.989 9.466 1.00 0.00 C ATOM 1026 O LEU A 60 1.461 3.033 9.806 1.00 0.00 O ATOM 1027 CB LEU A 60 1.973 1.271 7.269 1.00 0.00 C ATOM 1028 CG LEU A 60 1.796 0.151 6.232 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.747 0.439 5.154 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.129 -0.071 5.524 1.00 0.00 C ATOM 0 H LEU A 60 0.804 3.610 7.219 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.020 0.847 7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.395 2.145 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.698 0.947 8.016 1.00 0.00 H new ATOM 0 HG LEU A 60 1.453 -0.721 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.690 -0.405 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.225 0.591 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.028 1.337 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.020 -0.864 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.435 0.850 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.886 -0.358 6.254 1.00 0.00 H new ATOM 1042 N GLU A 61 0.480 1.088 10.350 1.00 0.00 N ATOM 1043 CA GLU A 61 0.405 1.331 11.799 1.00 0.00 C ATOM 1044 C GLU A 61 1.026 0.189 12.620 1.00 0.00 C ATOM 1045 O GLU A 61 0.977 -0.977 12.230 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.053 1.585 12.220 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.624 2.884 11.620 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.065 3.202 12.073 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.504 4.360 11.866 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.789 2.309 12.574 1.00 0.00 O ATOM 0 H GLU A 61 0.173 0.153 10.081 1.00 0.00 H new ATOM 0 HA GLU A 61 0.996 2.222 12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.670 0.743 11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.110 1.635 13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.975 3.716 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.603 2.810 10.533 1.00 0.00 H new ATOM 1057 N ASP A 62 1.622 0.513 13.769 1.00 0.00 N ATOM 1058 CA ASP A 62 2.331 -0.444 14.618 1.00 0.00 C ATOM 1059 C ASP A 62 1.398 -1.494 15.234 1.00 0.00 C ATOM 1060 O ASP A 62 0.295 -1.188 15.696 1.00 0.00 O ATOM 1061 CB ASP A 62 3.065 0.312 15.722 1.00 0.00 C ATOM 1062 CG ASP A 62 3.939 -0.637 16.547 1.00 0.00 C ATOM 1063 OD1 ASP A 62 5.074 -0.946 16.121 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.439 -1.120 17.586 1.00 0.00 O ATOM 0 H ASP A 62 1.625 1.463 14.141 1.00 0.00 H new ATOM 0 HA ASP A 62 3.039 -0.982 13.988 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.685 1.094 15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.343 0.805 16.372 1.00 0.00 H new ATOM 1069 N LYS A 63 1.876 -2.739 15.299 1.00 0.00 N ATOM 1070 CA LYS A 63 1.095 -3.895 15.756 1.00 0.00 C ATOM 1071 C LYS A 63 0.910 -4.029 17.272 1.00 0.00 C ATOM 1072 O LYS A 63 0.111 -4.865 17.699 1.00 0.00 O ATOM 1073 CB LYS A 63 1.533 -5.197 15.044 1.00 0.00 C ATOM 1074 CG LYS A 63 3.027 -5.313 14.686 1.00 0.00 C ATOM 1075 CD LYS A 63 3.976 -5.437 15.887 1.00 0.00 C ATOM 1076 CE LYS A 63 5.447 -5.169 15.526 1.00 0.00 C ATOM 1077 NZ LYS A 63 5.933 -5.982 14.380 1.00 0.00 N ATOM 0 H LYS A 63 2.831 -2.978 15.032 1.00 0.00 H new ATOM 0 HA LYS A 63 0.074 -3.687 15.436 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.268 -6.041 15.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.953 -5.296 14.126 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.164 -6.182 14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.315 -4.437 14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.665 -4.736 16.662 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.889 -6.438 16.309 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.568 -4.112 15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.070 -5.374 16.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.969 -6.062 14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.510 -6.931 14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.660 -5.522 13.488 1.00 0.00 H new ATOM 1091 N VAL A 64 1.545 -3.169 18.069 1.00 0.00 N ATOM 1092 CA VAL A 64 1.316 -3.035 19.518 1.00 0.00 C ATOM 1093 C VAL A 64 0.673 -1.687 19.852 1.00 0.00 C ATOM 1094 O VAL A 64 -0.331 -1.650 20.566 1.00 0.00 O ATOM 1095 CB VAL A 64 2.629 -3.209 20.310 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.375 -3.241 21.822 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.362 -4.506 19.937 1.00 0.00 C ATOM 0 H VAL A 64 2.255 -2.525 17.719 1.00 0.00 H new ATOM 0 HA VAL A 64 0.629 -3.828 19.813 1.00 0.00 H new ATOM 0 HB VAL A 64 3.245 -2.349 20.047 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.322 -3.365 22.347 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.907 -2.307 22.132 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.715 -4.074 22.063 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.280 -4.586 20.519 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.721 -5.361 20.152 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.606 -4.493 18.875 1.00 0.00 H new ATOM 1107 N SER A 65 1.218 -0.586 19.324 1.00 0.00 N ATOM 1108 CA SER A 65 0.870 0.778 19.759 1.00 0.00 C ATOM 1109 C SER A 65 -0.134 1.493 18.847 1.00 0.00 C ATOM 1110 O SER A 65 -0.720 2.501 19.244 1.00 0.00 O ATOM 1111 CB SER A 65 2.145 1.620 19.894 1.00 0.00 C ATOM 1112 OG SER A 65 3.009 1.063 20.876 1.00 0.00 O ATOM 0 H SER A 65 1.916 -0.612 18.580 1.00 0.00 H new ATOM 0 HA SER A 65 0.374 0.670 20.724 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.659 1.668 18.934 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.885 2.643 20.168 1.00 0.00 H new ATOM 0 HG SER A 65 3.818 1.611 20.948 1.00 0.00 H new ATOM 1118 N GLY A 66 -0.329 1.000 17.619 1.00 0.00 N ATOM 1119 CA GLY A 66 -1.198 1.610 16.601 1.00 0.00 C ATOM 1120 C GLY A 66 -0.637 2.906 15.996 1.00 0.00 C ATOM 1121 O GLY A 66 -1.361 3.649 15.334 1.00 0.00 O ATOM 0 H GLY A 66 0.123 0.145 17.296 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.364 0.889 15.800 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.170 1.820 17.047 1.00 0.00 H new ATOM 1125 N GLU A 67 0.642 3.201 16.245 1.00 0.00 N ATOM 1126 CA GLU A 67 1.313 4.440 15.846 1.00 0.00 C ATOM 1127 C GLU A 67 1.805 4.395 14.389 1.00 0.00 C ATOM 1128 O GLU A 67 2.084 3.322 13.852 1.00 0.00 O ATOM 1129 CB GLU A 67 2.415 4.775 16.864 1.00 0.00 C ATOM 1130 CG GLU A 67 3.669 3.895 16.784 1.00 0.00 C ATOM 1131 CD GLU A 67 4.716 4.344 17.822 1.00 0.00 C ATOM 1132 OE1 GLU A 67 4.663 3.875 18.986 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.599 5.168 17.484 1.00 0.00 O ATOM 0 H GLU A 67 1.259 2.562 16.747 1.00 0.00 H new ATOM 0 HA GLU A 67 0.593 5.258 15.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.711 5.815 16.725 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.997 4.694 17.867 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.400 2.853 16.958 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.095 3.951 15.782 1.00 0.00 H new ATOM 1140 N LEU A 68 1.898 5.553 13.735 1.00 0.00 N ATOM 1141 CA LEU A 68 2.142 5.662 12.295 1.00 0.00 C ATOM 1142 C LEU A 68 3.580 5.256 11.919 1.00 0.00 C ATOM 1143 O LEU A 68 4.547 5.873 12.375 1.00 0.00 O ATOM 1144 CB LEU A 68 1.812 7.104 11.856 1.00 0.00 C ATOM 1145 CG LEU A 68 1.925 7.368 10.343 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.881 6.588 9.548 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.704 8.854 10.059 1.00 0.00 C ATOM 0 H LEU A 68 1.804 6.457 14.198 1.00 0.00 H new ATOM 0 HA LEU A 68 1.495 4.964 11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.797 7.341 12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.480 7.788 12.379 1.00 0.00 H new ATOM 0 HG LEU A 68 2.921 7.048 10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.997 6.804 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.017 5.520 9.718 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.117 6.883 9.871 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.785 9.036 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.712 9.146 10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.457 9.441 10.584 1.00 0.00 H new ATOM 1159 N PHE A 69 3.714 4.261 11.038 1.00 0.00 N ATOM 1160 CA PHE A 69 4.979 3.897 10.391 1.00 0.00 C ATOM 1161 C PHE A 69 5.216 4.738 9.128 1.00 0.00 C ATOM 1162 O PHE A 69 6.247 5.404 9.007 1.00 0.00 O ATOM 1163 CB PHE A 69 4.989 2.389 10.076 1.00 0.00 C ATOM 1164 CG PHE A 69 6.118 1.948 9.155 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.444 1.912 9.627 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.853 1.611 7.811 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.494 1.541 8.767 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.906 1.261 6.947 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.225 1.219 7.425 1.00 0.00 C ATOM 0 H PHE A 69 2.932 3.674 10.748 1.00 0.00 H new ATOM 0 HA PHE A 69 5.799 4.111 11.076 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.062 1.835 11.012 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.037 2.119 9.619 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.656 2.170 10.654 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.837 1.622 7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.508 1.504 9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.699 1.024 5.914 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.032 0.940 6.763 1.00 0.00 H new ATOM 1179 N ALA A 70 4.251 4.728 8.200 1.00 0.00 N ATOM 1180 CA ALA A 70 4.310 5.440 6.924 1.00 0.00 C ATOM 1181 C ALA A 70 2.905 5.694 6.346 1.00 0.00 C ATOM 1182 O ALA A 70 1.938 5.030 6.725 1.00 0.00 O ATOM 1183 CB ALA A 70 5.158 4.620 5.941 1.00 0.00 C ATOM 0 H ALA A 70 3.383 4.207 8.323 1.00 0.00 H new ATOM 0 HA ALA A 70 4.766 6.416 7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.210 5.140 4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.164 4.497 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.703 3.640 5.797 1.00 0.00 H new ATOM 1189 N GLN A 71 2.799 6.640 5.409 1.00 0.00 N ATOM 1190 CA GLN A 71 1.544 7.036 4.759 1.00 0.00 C ATOM 1191 C GLN A 71 1.736 7.328 3.263 1.00 0.00 C ATOM 1192 O GLN A 71 2.664 8.043 2.896 1.00 0.00 O ATOM 1193 CB GLN A 71 0.947 8.260 5.477 1.00 0.00 C ATOM 1194 CG GLN A 71 1.963 9.387 5.743 1.00 0.00 C ATOM 1195 CD GLN A 71 1.317 10.755 5.922 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.283 10.922 6.561 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.910 11.779 5.347 1.00 0.00 N ATOM 0 H GLN A 71 3.605 7.167 5.072 1.00 0.00 H new ATOM 0 HA GLN A 71 0.851 6.198 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.128 8.657 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.519 7.939 6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.537 9.145 6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.669 9.433 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.770 11.638 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.510 12.714 5.432 1.00 0.00 H new ATOM 1206 N ALA A 72 0.848 6.828 2.403 1.00 0.00 N ATOM 1207 CA ALA A 72 0.845 7.078 0.958 1.00 0.00 C ATOM 1208 C ALA A 72 -0.467 7.758 0.506 1.00 0.00 C ATOM 1209 O ALA A 72 -1.490 7.081 0.357 1.00 0.00 O ATOM 1210 CB ALA A 72 1.114 5.753 0.230 1.00 0.00 C ATOM 0 H ALA A 72 0.086 6.218 2.701 1.00 0.00 H new ATOM 0 HA ALA A 72 1.639 7.779 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.115 5.923 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.084 5.360 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.335 5.034 0.483 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.454 9.090 0.292 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.527 9.828 -0.372 1.00 0.00 C ATOM 1218 C PRO A 73 -1.689 9.427 -1.845 1.00 0.00 C ATOM 1219 O PRO A 73 -0.697 9.288 -2.565 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.164 11.315 -0.259 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.181 11.362 0.907 1.00 0.00 C ATOM 1222 CD PRO A 73 0.542 10.025 0.787 1.00 0.00 C ATOM 0 HA PRO A 73 -2.482 9.604 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.712 11.687 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.044 11.928 -0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.507 12.204 0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.692 11.462 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.388 10.096 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.937 9.704 1.751 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.935 9.303 -2.306 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.311 8.920 -3.680 1.00 0.00 C ATOM 1232 C VAL A 74 -4.438 9.829 -4.178 1.00 0.00 C ATOM 1233 O VAL A 74 -5.448 9.965 -3.494 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.802 7.454 -3.756 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.688 6.923 -5.187 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.084 6.475 -2.823 1.00 0.00 C ATOM 0 H VAL A 74 -3.747 9.472 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.421 9.025 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.839 7.501 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.038 5.891 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.298 7.535 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.647 6.964 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.501 5.476 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.021 6.458 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.218 6.793 -1.789 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.316 10.427 -5.366 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.361 11.324 -5.911 1.00 0.00 C ATOM 1248 C GLU A 75 -6.425 10.589 -6.753 1.00 0.00 C ATOM 1249 O GLU A 75 -7.541 11.080 -6.918 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.709 12.453 -6.724 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.855 13.385 -5.854 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.299 14.557 -6.685 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -2.224 14.403 -7.316 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -3.928 15.643 -6.714 1.00 0.00 O ATOM 0 H GLU A 75 -3.507 10.312 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.893 11.743 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.086 12.020 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.486 13.035 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.455 13.771 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.031 12.824 -5.413 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.080 9.419 -7.301 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.978 8.494 -8.008 1.00 0.00 C ATOM 1263 C GLN A 76 -6.337 7.099 -8.112 1.00 0.00 C ATOM 1264 O GLN A 76 -5.113 6.982 -8.171 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.393 9.027 -9.401 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.421 9.961 -10.150 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.041 9.364 -10.423 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.868 8.477 -11.246 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.000 9.849 -9.774 1.00 0.00 N ATOM 0 H GLN A 76 -5.121 9.073 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.893 8.413 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.586 8.166 -10.041 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.339 9.556 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.873 10.246 -11.100 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.298 10.875 -9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.129 10.589 -9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.066 9.484 -9.962 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.155 6.042 -8.140 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.708 4.646 -8.208 1.00 0.00 C ATOM 1280 C TYR A 77 -7.358 3.883 -9.385 1.00 0.00 C ATOM 1281 O TYR A 77 -8.589 3.932 -9.511 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.009 3.943 -6.879 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.534 2.506 -6.856 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.453 1.454 -7.037 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.163 2.228 -6.729 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.004 0.120 -7.082 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.709 0.899 -6.821 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.624 -0.160 -6.981 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.166 -1.438 -7.054 1.00 0.00 O ATOM 0 H TYR A 77 -8.170 6.135 -8.115 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.632 4.647 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.532 4.492 -6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.083 3.969 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.506 1.671 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.460 3.031 -6.561 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.713 -0.687 -7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.651 0.689 -6.769 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.926 -2.057 -7.080 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.587 3.137 -10.207 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.119 3.041 -10.215 1.00 0.00 C ATOM 1301 C PRO A 78 -4.412 4.366 -10.557 1.00 0.00 C ATOM 1302 O PRO A 78 -4.906 5.144 -11.377 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.774 1.943 -11.229 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.048 1.102 -11.289 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.136 2.160 -11.134 1.00 0.00 C ATOM 0 HA PRO A 78 -4.761 2.802 -9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.522 2.361 -12.204 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.917 1.352 -10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.136 0.562 -12.232 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.085 0.360 -10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.378 2.619 -12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.057 1.724 -10.747 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.256 4.616 -9.934 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.479 5.858 -10.080 1.00 0.00 C ATOM 1315 C GLY A 79 -1.074 5.796 -9.461 1.00 0.00 C ATOM 1316 O GLY A 79 -0.626 4.744 -9.008 1.00 0.00 O ATOM 0 H GLY A 79 -2.822 3.947 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.387 6.094 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.032 6.676 -9.618 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.369 6.932 -9.436 1.00 0.00 N ATOM 1321 CA ILE A 80 1.080 7.037 -9.144 1.00 0.00 C ATOM 1322 C ILE A 80 1.524 6.407 -7.812 1.00 0.00 C ATOM 1323 O ILE A 80 2.604 5.821 -7.733 1.00 0.00 O ATOM 1324 CB ILE A 80 1.512 8.528 -9.228 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.008 8.784 -8.932 1.00 0.00 C ATOM 1326 CG2 ILE A 80 0.701 9.447 -8.289 1.00 0.00 C ATOM 1327 CD1 ILE A 80 3.977 8.055 -9.865 1.00 0.00 C ATOM 0 H ILE A 80 -0.798 7.838 -9.624 1.00 0.00 H new ATOM 0 HA ILE A 80 1.589 6.445 -9.904 1.00 0.00 H new ATOM 0 HB ILE A 80 1.311 8.770 -10.272 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.199 9.855 -8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.218 8.484 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.050 10.474 -8.394 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.356 9.394 -8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.835 9.122 -7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.003 8.293 -9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.819 6.979 -9.785 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.800 8.372 -10.893 1.00 0.00 H new ATOM 1339 N ALA A 81 0.707 6.507 -6.764 1.00 0.00 N ATOM 1340 CA ALA A 81 1.081 6.116 -5.405 1.00 0.00 C ATOM 1341 C ALA A 81 0.719 4.673 -5.036 1.00 0.00 C ATOM 1342 O ALA A 81 0.887 4.306 -3.873 1.00 0.00 O ATOM 1343 CB ALA A 81 0.537 7.171 -4.441 1.00 0.00 C ATOM 0 H ALA A 81 -0.245 6.866 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 81 2.168 6.096 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.803 6.902 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.967 8.142 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.548 7.222 -4.532 1.00 0.00 H new ATOM 1349 N VAL A 82 0.267 3.852 -5.991 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.078 2.436 -5.774 1.00 0.00 C ATOM 1351 C VAL A 82 0.195 1.597 -7.034 1.00 0.00 C ATOM 1352 O VAL A 82 -0.273 1.919 -8.126 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.555 2.260 -5.362 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.805 0.820 -4.889 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.062 3.203 -4.260 1.00 0.00 C ATOM 0 H VAL A 82 0.127 4.155 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 82 0.557 2.085 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.109 2.510 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.850 0.708 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.575 0.126 -5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.167 0.603 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.111 2.989 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.475 3.053 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.961 4.237 -4.591 1.00 0.00 H new ATOM 1365 N GLU A 83 0.918 0.491 -6.883 1.00 0.00 N ATOM 1366 CA GLU A 83 1.320 -0.440 -7.951 1.00 0.00 C ATOM 1367 C GLU A 83 1.185 -1.913 -7.521 1.00 0.00 C ATOM 1368 O GLU A 83 1.114 -2.231 -6.335 1.00 0.00 O ATOM 1369 CB GLU A 83 2.770 -0.150 -8.380 1.00 0.00 C ATOM 1370 CG GLU A 83 2.902 1.072 -9.291 1.00 0.00 C ATOM 1371 CD GLU A 83 4.365 1.252 -9.731 1.00 0.00 C ATOM 1372 OE1 GLU A 83 5.189 1.768 -8.941 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.718 0.878 -10.873 1.00 0.00 O ATOM 0 H GLU A 83 1.261 0.198 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 83 0.646 -0.283 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.381 0.002 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.170 -1.023 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.264 0.953 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.560 1.964 -8.766 1.00 0.00 H new ATOM 1380 N THR A 84 1.172 -2.823 -8.495 1.00 0.00 N ATOM 1381 CA THR A 84 1.028 -4.284 -8.334 1.00 0.00 C ATOM 1382 C THR A 84 2.317 -5.019 -8.721 1.00 0.00 C ATOM 1383 O THR A 84 3.173 -4.487 -9.437 1.00 0.00 O ATOM 1384 CB THR A 84 -0.129 -4.797 -9.213 1.00 0.00 C ATOM 1385 OG1 THR A 84 0.084 -4.458 -10.569 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.468 -4.181 -8.806 1.00 0.00 C ATOM 0 H THR A 84 1.266 -2.554 -9.474 1.00 0.00 H new ATOM 0 HA THR A 84 0.817 -4.484 -7.283 1.00 0.00 H new ATOM 0 HB THR A 84 -0.158 -5.878 -9.077 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.660 -4.794 -11.111 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.257 -4.569 -9.450 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.686 -4.438 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.416 -3.097 -8.908 1.00 0.00 H new ATOM 1394 N VAL A 85 2.455 -6.268 -8.267 1.00 0.00 N ATOM 1395 CA VAL A 85 3.470 -7.213 -8.762 1.00 0.00 C ATOM 1396 C VAL A 85 2.944 -8.030 -9.954 1.00 0.00 C ATOM 1397 O VAL A 85 1.749 -8.016 -10.256 1.00 0.00 O ATOM 1398 CB VAL A 85 3.945 -8.161 -7.653 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.473 -7.368 -6.461 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.847 -9.122 -7.203 1.00 0.00 C ATOM 0 H VAL A 85 1.860 -6.660 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 85 4.319 -6.616 -9.096 1.00 0.00 H new ATOM 0 HB VAL A 85 4.753 -8.762 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.805 -8.057 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.311 -6.748 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.680 -6.732 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.232 -9.772 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.000 -8.553 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.524 -9.728 -8.050 1.00 0.00 H new ATOM 1410 N THR A 86 3.820 -8.819 -10.579 1.00 0.00 N ATOM 1411 CA THR A 86 3.470 -9.756 -11.666 1.00 0.00 C ATOM 1412 C THR A 86 3.302 -11.211 -11.204 1.00 0.00 C ATOM 1413 O THR A 86 2.585 -11.981 -11.844 1.00 0.00 O ATOM 1414 CB THR A 86 4.519 -9.690 -12.785 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.758 -10.174 -12.318 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.741 -8.255 -13.256 1.00 0.00 C ATOM 0 H THR A 86 4.813 -8.830 -10.345 1.00 0.00 H new ATOM 0 HA THR A 86 2.497 -9.432 -12.035 1.00 0.00 H new ATOM 0 HB THR A 86 4.145 -10.297 -13.609 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.420 -10.129 -13.040 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.489 -8.244 -14.048 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.804 -7.848 -13.636 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.088 -7.647 -12.420 1.00 0.00 H new ATOM 1424 N ASP A 87 3.941 -11.601 -10.093 1.00 0.00 N ATOM 1425 CA ASP A 87 4.023 -13.001 -9.644 1.00 0.00 C ATOM 1426 C ASP A 87 2.772 -13.495 -8.891 1.00 0.00 C ATOM 1427 O ASP A 87 2.312 -14.614 -9.131 1.00 0.00 O ATOM 1428 CB ASP A 87 5.283 -13.169 -8.785 1.00 0.00 C ATOM 1429 CG ASP A 87 5.470 -14.625 -8.323 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.234 -14.913 -7.127 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.863 -15.476 -9.156 1.00 0.00 O ATOM 0 H ASP A 87 4.421 -10.948 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 87 4.078 -13.626 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.157 -12.854 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.219 -12.517 -7.914 1.00 0.00 H new ATOM 1436 N SER A 88 2.214 -12.675 -7.990 1.00 0.00 N ATOM 1437 CA SER A 88 1.028 -13.039 -7.186 1.00 0.00 C ATOM 1438 C SER A 88 0.240 -11.834 -6.667 1.00 0.00 C ATOM 1439 O SER A 88 0.809 -10.912 -6.091 1.00 0.00 O ATOM 1440 CB SER A 88 1.436 -13.925 -6.003 1.00 0.00 C ATOM 1441 OG SER A 88 0.276 -14.385 -5.320 1.00 0.00 O ATOM 0 H SER A 88 2.569 -11.739 -7.794 1.00 0.00 H new ATOM 0 HA SER A 88 0.368 -13.583 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.020 -14.774 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.073 -13.363 -5.319 1.00 0.00 H new ATOM 0 HG SER A 88 0.543 -14.952 -4.567 1.00 0.00 H new ATOM 1447 N SER A 89 -1.089 -11.861 -6.787 1.00 0.00 N ATOM 1448 CA SER A 89 -1.990 -10.742 -6.445 1.00 0.00 C ATOM 1449 C SER A 89 -2.176 -10.478 -4.934 1.00 0.00 C ATOM 1450 O SER A 89 -3.175 -9.878 -4.535 1.00 0.00 O ATOM 1451 CB SER A 89 -3.343 -10.914 -7.153 1.00 0.00 C ATOM 1452 OG SER A 89 -3.161 -11.234 -8.526 1.00 0.00 O ATOM 0 H SER A 89 -1.588 -12.680 -7.133 1.00 0.00 H new ATOM 0 HA SER A 89 -1.489 -9.846 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.916 -11.703 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.924 -9.996 -7.063 1.00 0.00 H new ATOM 0 HG SER A 89 -4.035 -11.340 -8.956 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.232 -10.916 -4.082 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.172 -10.635 -2.633 1.00 0.00 C ATOM 1460 C ARG A 90 -0.045 -9.670 -2.228 1.00 0.00 C ATOM 1461 O ARG A 90 0.346 -9.632 -1.061 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.273 -11.930 -1.805 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.022 -12.807 -1.872 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.164 -14.127 -1.098 1.00 0.00 C ATOM 1465 NE ARG A 90 0.371 -14.027 0.272 1.00 0.00 N ATOM 1466 CZ ARG A 90 0.927 -14.991 0.984 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.452 -14.707 2.137 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.979 -16.230 0.579 1.00 0.00 N ATOM 0 H ARG A 90 -0.457 -11.500 -4.396 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.063 -10.061 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.467 -11.670 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.129 -12.507 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.203 -13.028 -2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.826 -12.250 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.216 -14.411 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.359 -14.919 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 90 0.305 -13.113 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.432 -13.748 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.884 -15.443 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.580 -16.489 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.419 -16.940 1.164 1.00 0.00 H new ATOM 1482 N TYR A 91 0.475 -8.893 -3.186 1.00 0.00 N ATOM 1483 CA TYR A 91 1.614 -7.998 -3.012 1.00 0.00 C ATOM 1484 C TYR A 91 1.405 -6.701 -3.814 1.00 0.00 C ATOM 1485 O TYR A 91 1.010 -6.745 -4.983 1.00 0.00 O ATOM 1486 CB TYR A 91 2.882 -8.722 -3.480 1.00 0.00 C ATOM 1487 CG TYR A 91 3.227 -10.003 -2.742 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.896 -11.262 -3.289 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.892 -9.928 -1.505 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.243 -12.441 -2.601 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.195 -11.103 -0.792 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.881 -12.364 -1.343 1.00 0.00 C ATOM 1493 OH TYR A 91 4.190 -13.498 -0.654 1.00 0.00 O ATOM 0 H TYR A 91 0.098 -8.873 -4.134 1.00 0.00 H new ATOM 0 HA TYR A 91 1.714 -7.728 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.774 -8.954 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.724 -8.035 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.377 -11.321 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.171 -8.966 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.021 -13.405 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.668 -11.040 0.177 1.00 0.00 H new ATOM 0 HH TYR A 91 4.626 -13.259 0.191 1.00 0.00 H new ATOM 1503 N PHE A 92 1.698 -5.552 -3.200 1.00 0.00 N ATOM 1504 CA PHE A 92 1.589 -4.221 -3.809 1.00 0.00 C ATOM 1505 C PHE A 92 2.812 -3.365 -3.483 1.00 0.00 C ATOM 1506 O PHE A 92 3.557 -3.662 -2.555 1.00 0.00 O ATOM 1507 CB PHE A 92 0.320 -3.510 -3.313 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.962 -4.240 -3.641 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.578 -5.035 -2.662 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.533 -4.139 -4.922 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.761 -5.727 -2.957 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.704 -4.857 -5.225 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.317 -5.654 -4.246 1.00 0.00 C ATOM 0 H PHE A 92 2.028 -5.520 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 92 1.533 -4.353 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.387 -3.382 -2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.280 -2.513 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.139 -5.114 -1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.074 -3.512 -5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.246 -6.317 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.133 -4.795 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.213 -6.209 -4.482 1.00 0.00 H new ATOM 1523 N VAL A 93 3.000 -2.272 -4.213 1.00 0.00 N ATOM 1524 CA VAL A 93 3.933 -1.191 -3.874 1.00 0.00 C ATOM 1525 C VAL A 93 3.133 0.088 -3.668 1.00 0.00 C ATOM 1526 O VAL A 93 2.171 0.318 -4.398 1.00 0.00 O ATOM 1527 CB VAL A 93 5.008 -1.025 -4.963 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.955 0.155 -4.728 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.846 -2.297 -5.075 1.00 0.00 C ATOM 0 H VAL A 93 2.495 -2.103 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 93 4.463 -1.433 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 93 4.460 -0.826 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.683 0.204 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.382 1.081 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.476 0.020 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.603 -2.167 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.333 -2.497 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.201 -3.136 -5.336 1.00 0.00 H new ATOM 1539 N ILE A 94 3.516 0.935 -2.712 1.00 0.00 N ATOM 1540 CA ILE A 94 2.916 2.263 -2.542 1.00 0.00 C ATOM 1541 C ILE A 94 3.973 3.358 -2.391 1.00 0.00 C ATOM 1542 O ILE A 94 5.045 3.130 -1.822 1.00 0.00 O ATOM 1543 CB ILE A 94 1.855 2.324 -1.421 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.372 2.049 0.011 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.628 1.461 -1.744 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.569 0.579 0.412 1.00 0.00 C ATOM 0 H ILE A 94 4.248 0.723 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 94 2.376 2.459 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 94 1.557 3.372 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.325 2.563 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.674 2.502 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.092 1.533 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.168 1.813 -2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.935 0.422 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.934 0.527 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.618 0.051 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.295 0.114 -0.255 1.00 0.00 H new ATOM 1558 N ARG A 95 3.662 4.561 -2.892 1.00 0.00 N ATOM 1559 CA ARG A 95 4.532 5.745 -2.766 1.00 0.00 C ATOM 1560 C ARG A 95 4.238 6.487 -1.464 1.00 0.00 C ATOM 1561 O ARG A 95 3.429 7.417 -1.442 1.00 0.00 O ATOM 1562 CB ARG A 95 4.428 6.654 -4.003 1.00 0.00 C ATOM 1563 CG ARG A 95 5.560 7.692 -4.034 1.00 0.00 C ATOM 1564 CD ARG A 95 5.377 8.663 -5.204 1.00 0.00 C ATOM 1565 NE ARG A 95 6.457 9.668 -5.237 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.603 10.652 -6.103 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.601 11.471 -5.969 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.779 10.845 -7.094 1.00 0.00 N ATOM 0 H ARG A 95 2.796 4.744 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 95 5.569 5.411 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.465 6.046 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.465 7.164 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.577 8.246 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.521 7.186 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.364 8.108 -6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.413 9.164 -5.117 1.00 0.00 H new ATOM 0 HE ARG A 95 7.169 9.594 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.261 11.349 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.725 12.236 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.982 10.222 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.931 11.620 -7.740 1.00 0.00 H new ATOM 1582 N ILE A 96 4.884 6.080 -0.375 1.00 0.00 N ATOM 1583 CA ILE A 96 4.763 6.777 0.912 1.00 0.00 C ATOM 1584 C ILE A 96 5.437 8.156 0.851 1.00 0.00 C ATOM 1585 O ILE A 96 6.472 8.319 0.205 1.00 0.00 O ATOM 1586 CB ILE A 96 5.177 5.910 2.125 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.675 5.528 2.189 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.320 4.637 2.189 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.503 6.478 3.059 1.00 0.00 C ATOM 0 H ILE A 96 5.501 5.268 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 96 3.703 6.961 1.090 1.00 0.00 H new ATOM 0 HB ILE A 96 5.001 6.547 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.769 4.514 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.085 5.520 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.623 4.037 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.270 4.910 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.459 4.059 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.544 6.155 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.438 7.489 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.117 6.467 4.078 1.00 0.00 H new ATOM 1601 N GLN A 97 4.816 9.162 1.469 1.00 0.00 N ATOM 1602 CA GLN A 97 5.173 10.584 1.367 1.00 0.00 C ATOM 1603 C GLN A 97 5.130 11.281 2.732 1.00 0.00 C ATOM 1604 O GLN A 97 4.257 11.033 3.566 1.00 0.00 O ATOM 1605 CB GLN A 97 4.225 11.308 0.395 1.00 0.00 C ATOM 1606 CG GLN A 97 4.466 10.968 -1.084 1.00 0.00 C ATOM 1607 CD GLN A 97 3.203 11.102 -1.929 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.749 12.188 -2.263 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.588 9.999 -2.289 1.00 0.00 N ATOM 0 H GLN A 97 4.016 9.005 2.081 1.00 0.00 H new ATOM 0 HA GLN A 97 6.194 10.633 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.196 11.056 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.333 12.384 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.238 11.626 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.845 9.949 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.964 9.092 -2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.735 10.049 -2.845 1.00 0.00 H new ATOM 1682 N SER A 103 9.497 11.532 -0.634 1.00 0.00 N ATOM 1683 CA SER A 103 8.780 10.276 -0.901 1.00 0.00 C ATOM 1684 C SER A 103 9.690 9.055 -1.101 1.00 0.00 C ATOM 1685 O SER A 103 10.879 9.191 -1.404 1.00 0.00 O ATOM 1686 CB SER A 103 7.870 10.457 -2.123 1.00 0.00 C ATOM 1687 OG SER A 103 8.602 10.569 -3.334 1.00 0.00 O ATOM 0 HA SER A 103 8.195 10.063 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.187 9.610 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.259 11.349 -1.988 1.00 0.00 H new ATOM 0 HG SER A 103 9.457 11.015 -3.159 1.00 0.00 H new ATOM 1693 N ALA A 104 9.113 7.858 -0.955 1.00 0.00 N ATOM 1694 CA ALA A 104 9.734 6.571 -1.274 1.00 0.00 C ATOM 1695 C ALA A 104 8.690 5.557 -1.773 1.00 0.00 C ATOM 1696 O ALA A 104 7.548 5.557 -1.315 1.00 0.00 O ATOM 1697 CB ALA A 104 10.459 6.042 -0.027 1.00 0.00 C ATOM 0 H ALA A 104 8.163 7.756 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 104 10.455 6.713 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.924 5.083 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.226 6.754 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.742 5.913 0.783 1.00 0.00 H new ATOM 1703 N PHE A 105 9.083 4.660 -2.678 1.00 0.00 N ATOM 1704 CA PHE A 105 8.277 3.497 -3.065 1.00 0.00 C ATOM 1705 C PHE A 105 8.638 2.302 -2.168 1.00 0.00 C ATOM 1706 O PHE A 105 9.784 1.845 -2.173 1.00 0.00 O ATOM 1707 CB PHE A 105 8.468 3.186 -4.558 1.00 0.00 C ATOM 1708 CG PHE A 105 7.738 4.128 -5.503 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.446 3.803 -5.960 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.347 5.318 -5.947 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.771 4.642 -6.862 1.00 0.00 C ATOM 1712 CE2 PHE A 105 7.672 6.164 -6.848 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.387 5.823 -7.310 1.00 0.00 C ATOM 0 H PHE A 105 9.976 4.719 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 105 7.219 3.715 -2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.533 3.216 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.130 2.168 -4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.969 2.898 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.334 5.582 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.783 4.380 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.141 7.076 -7.185 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.875 6.468 -8.008 1.00 0.00 H new ATOM 1723 N ILE A 106 7.667 1.798 -1.399 1.00 0.00 N ATOM 1724 CA ILE A 106 7.819 0.620 -0.523 1.00 0.00 C ATOM 1725 C ILE A 106 6.896 -0.516 -0.966 1.00 0.00 C ATOM 1726 O ILE A 106 5.766 -0.268 -1.384 1.00 0.00 O ATOM 1727 CB ILE A 106 7.632 0.955 0.976 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.173 1.284 1.369 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.583 2.095 1.371 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.952 1.437 2.879 1.00 0.00 C ATOM 0 H ILE A 106 6.731 2.203 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 106 8.850 0.281 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 106 7.881 0.053 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.874 2.207 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.520 0.495 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.450 2.330 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.614 1.787 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.361 2.978 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.904 1.667 3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.218 0.507 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.577 2.246 3.258 1.00 0.00 H new ATOM 1742 N GLY A 107 7.362 -1.758 -0.859 1.00 0.00 N ATOM 1743 CA GLY A 107 6.566 -2.953 -1.132 1.00 0.00 C ATOM 1744 C GLY A 107 5.846 -3.420 0.126 1.00 0.00 C ATOM 1745 O GLY A 107 6.407 -3.331 1.218 1.00 0.00 O ATOM 0 H GLY A 107 8.319 -1.966 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.839 -2.740 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.211 -3.749 -1.504 1.00 0.00 H new ATOM 1749 N ILE A 108 4.627 -3.934 -0.022 1.00 0.00 N ATOM 1750 CA ILE A 108 3.844 -4.586 1.029 1.00 0.00 C ATOM 1751 C ILE A 108 3.323 -5.953 0.579 1.00 0.00 C ATOM 1752 O ILE A 108 2.877 -6.124 -0.558 1.00 0.00 O ATOM 1753 CB ILE A 108 2.701 -3.704 1.578 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.707 -3.199 0.509 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.290 -2.551 2.401 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.432 -2.587 1.112 1.00 0.00 C ATOM 0 H ILE A 108 4.136 -3.907 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 108 4.533 -4.742 1.859 1.00 0.00 H new ATOM 0 HB ILE A 108 2.096 -4.343 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.201 -2.454 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.432 -4.028 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.482 -1.930 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.867 -2.955 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.941 -1.947 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.225 -2.251 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.083 -3.337 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.699 -1.738 1.742 1.00 0.00 H new ATOM 1768 N GLY A 109 3.366 -6.925 1.488 1.00 0.00 N ATOM 1769 CA GLY A 109 2.861 -8.286 1.306 1.00 0.00 C ATOM 1770 C GLY A 109 1.783 -8.655 2.320 1.00 0.00 C ATOM 1771 O GLY A 109 1.858 -8.270 3.491 1.00 0.00 O ATOM 0 H GLY A 109 3.772 -6.780 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.456 -8.387 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.689 -8.990 1.389 1.00 0.00 H new ATOM 1775 N PHE A 110 0.783 -9.401 1.853 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.383 -9.839 2.626 1.00 0.00 C ATOM 1777 C PHE A 110 -0.283 -11.324 2.991 1.00 0.00 C ATOM 1778 O PHE A 110 0.476 -12.081 2.382 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.660 -9.552 1.820 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.029 -8.082 1.736 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.228 -7.180 1.006 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.176 -7.610 2.405 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.538 -5.812 0.996 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.510 -6.247 2.354 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.678 -5.346 1.666 1.00 0.00 C ATOM 0 H PHE A 110 0.760 -9.731 0.888 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.417 -9.282 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.533 -9.941 0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.490 -10.098 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.374 -7.543 0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.799 -8.298 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.898 -5.117 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.405 -5.891 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.918 -4.293 1.654 1.00 0.00 H new ATOM 1795 N THR A 111 -1.088 -11.765 3.959 1.00 0.00 N ATOM 1796 CA THR A 111 -1.156 -13.176 4.386 1.00 0.00 C ATOM 1797 C THR A 111 -1.938 -14.066 3.408 1.00 0.00 C ATOM 1798 O THR A 111 -1.687 -15.268 3.320 1.00 0.00 O ATOM 1799 CB THR A 111 -1.717 -13.255 5.817 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.489 -14.532 6.372 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.214 -12.945 5.928 1.00 0.00 C ATOM 0 H THR A 111 -1.719 -11.153 4.477 1.00 0.00 H new ATOM 0 HA THR A 111 -0.142 -13.575 4.381 1.00 0.00 H new ATOM 0 HB THR A 111 -1.182 -12.481 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.851 -14.563 7.282 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.526 -13.024 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.404 -11.934 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.779 -13.657 5.326 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.853 -13.480 2.626 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.682 -14.189 1.647 1.00 0.00 C ATOM 1811 C ASP A 112 -4.178 -13.247 0.535 1.00 0.00 C ATOM 1812 O ASP A 112 -4.387 -12.050 0.757 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.874 -14.849 2.365 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.613 -15.834 1.449 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -5.177 -17.004 1.341 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -6.606 -15.427 0.804 1.00 0.00 O ATOM 0 H ASP A 112 -3.041 -12.478 2.658 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.071 -14.957 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.520 -15.373 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.566 -14.079 2.705 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.405 -13.796 -0.664 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.920 -13.055 -1.826 1.00 0.00 C ATOM 1823 C ARG A 113 -6.323 -12.481 -1.601 1.00 0.00 C ATOM 1824 O ARG A 113 -6.603 -11.387 -2.079 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.848 -13.975 -3.055 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.172 -13.230 -4.358 1.00 0.00 C ATOM 1827 CD ARG A 113 -4.993 -14.121 -5.593 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.574 -14.448 -5.861 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.109 -15.097 -6.915 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -1.835 -15.332 -7.039 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -3.889 -15.521 -7.868 1.00 0.00 N ATOM 0 H ARG A 113 -4.234 -14.782 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.295 -12.178 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -3.850 -14.408 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.546 -14.802 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.198 -12.865 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.526 -12.356 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.554 -15.045 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.416 -13.619 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.891 -14.144 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.185 -15.015 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.486 -15.833 -7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.894 -15.356 -7.816 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.495 -16.018 -8.666 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.178 -13.151 -0.827 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.506 -12.646 -0.458 1.00 0.00 C ATOM 1847 C GLY A 114 -8.464 -11.386 0.420 1.00 0.00 C ATOM 1848 O GLY A 114 -9.341 -10.530 0.307 1.00 0.00 O ATOM 0 H GLY A 114 -6.968 -14.068 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.067 -12.427 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.049 -13.429 0.071 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.420 -11.224 1.241 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.208 -10.023 2.061 1.00 0.00 C ATOM 1854 C ASP A 115 -6.538 -8.895 1.263 1.00 0.00 C ATOM 1855 O ASP A 115 -6.913 -7.730 1.406 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.405 -10.378 3.321 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.245 -11.193 4.316 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.895 -12.360 4.606 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.257 -10.648 4.820 1.00 0.00 O ATOM 0 H ASP A 115 -6.691 -11.928 1.357 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.184 -9.647 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.519 -10.947 3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.057 -9.463 3.801 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.614 -9.233 0.358 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.057 -8.294 -0.612 1.00 0.00 C ATOM 1866 C ALA A 116 -6.096 -7.757 -1.616 1.00 0.00 C ATOM 1867 O ALA A 116 -6.022 -6.603 -2.041 1.00 0.00 O ATOM 1868 CB ALA A 116 -3.956 -9.041 -1.342 1.00 0.00 C ATOM 0 H ALA A 116 -5.231 -10.175 0.280 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.687 -7.413 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.501 -8.385 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.198 -9.361 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.377 -9.914 -1.840 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.104 -8.558 -1.968 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.231 -8.085 -2.775 1.00 0.00 C ATOM 1876 C PHE A 117 -9.017 -6.958 -2.085 1.00 0.00 C ATOM 1877 O PHE A 117 -9.447 -6.032 -2.767 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.140 -9.254 -3.185 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.986 -9.637 -4.647 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.793 -10.229 -5.104 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -10.020 -9.361 -5.564 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.638 -10.556 -6.463 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.865 -9.686 -6.924 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.675 -10.285 -7.373 1.00 0.00 C ATOM 0 H PHE A 117 -7.163 -9.542 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.817 -7.650 -3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.914 -10.119 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.179 -8.985 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.993 -10.433 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.934 -8.899 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.723 -11.015 -6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.661 -9.475 -7.623 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.557 -10.537 -8.417 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.141 -6.952 -0.753 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.821 -5.862 -0.035 1.00 0.00 C ATOM 1896 C ASP A 118 -9.023 -4.545 -0.053 1.00 0.00 C ATOM 1897 O ASP A 118 -9.626 -3.475 -0.147 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.151 -6.279 1.408 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.280 -7.319 1.514 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.200 -8.176 2.425 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.273 -7.244 0.752 1.00 0.00 O ATOM 0 H ASP A 118 -8.780 -7.689 -0.148 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.752 -5.672 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.252 -6.684 1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.432 -5.393 1.977 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.684 -4.596 -0.052 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.824 -3.421 -0.278 1.00 0.00 C ATOM 1908 C PHE A 119 -7.128 -2.757 -1.633 1.00 0.00 C ATOM 1909 O PHE A 119 -7.262 -1.538 -1.733 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.348 -3.850 -0.163 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.331 -2.836 -0.659 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.055 -2.719 -2.035 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.656 -2.003 0.250 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.158 -1.743 -2.500 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.769 -1.021 -0.213 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.520 -0.885 -1.588 1.00 0.00 C ATOM 0 H PHE A 119 -7.162 -5.458 0.106 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.030 -2.669 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.133 -4.073 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.213 -4.777 -0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.536 -3.384 -2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.822 -2.120 1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.959 -1.652 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.276 -0.367 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.841 -0.124 -1.943 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.287 -3.573 -2.674 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.488 -3.129 -4.051 1.00 0.00 C ATOM 1928 C ASN A 120 -8.946 -2.729 -4.362 1.00 0.00 C ATOM 1929 O ASN A 120 -9.187 -1.785 -5.120 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.966 -4.285 -4.927 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.449 -4.272 -6.365 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -7.161 -3.375 -7.142 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.201 -5.274 -6.758 1.00 0.00 N ATOM 0 H ASN A 120 -7.279 -4.589 -2.579 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.944 -2.206 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -5.876 -4.258 -4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.262 -5.229 -4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.548 -5.306 -7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.438 -6.020 -6.105 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.931 -3.418 -3.778 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.358 -3.134 -3.994 1.00 0.00 C ATOM 1942 C VAL A 121 -11.810 -1.897 -3.210 1.00 0.00 C ATOM 1943 O VAL A 121 -12.526 -1.060 -3.760 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.226 -4.374 -3.693 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.731 -4.072 -3.693 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.991 -5.453 -4.762 1.00 0.00 C ATOM 0 H VAL A 121 -9.762 -4.194 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.497 -2.900 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.930 -4.707 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.285 -4.985 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.952 -3.323 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.026 -3.693 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.608 -6.324 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.258 -5.058 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.940 -5.743 -4.762 1.00 0.00 H new ATOM 1956 N SER A 122 -11.352 -1.720 -1.966 1.00 0.00 N ATOM 1957 CA SER A 122 -11.718 -0.552 -1.144 1.00 0.00 C ATOM 1958 C SER A 122 -11.232 0.784 -1.721 1.00 0.00 C ATOM 1959 O SER A 122 -11.883 1.807 -1.515 1.00 0.00 O ATOM 1960 CB SER A 122 -11.201 -0.705 0.287 1.00 0.00 C ATOM 1961 OG SER A 122 -9.793 -0.799 0.308 1.00 0.00 O ATOM 0 H SER A 122 -10.723 -2.374 -1.500 1.00 0.00 H new ATOM 0 HA SER A 122 -12.808 -0.526 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.521 0.147 0.886 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.635 -1.595 0.741 1.00 0.00 H new ATOM 0 HG SER A 122 -9.525 -1.727 0.141 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.138 0.780 -2.492 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.669 1.939 -3.255 1.00 0.00 C ATOM 1969 C LEU A 123 -10.531 2.177 -4.508 1.00 0.00 C ATOM 1970 O LEU A 123 -11.095 3.261 -4.673 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.183 1.749 -3.613 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.198 1.864 -2.431 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.800 1.446 -2.890 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.112 3.295 -1.893 1.00 0.00 C ATOM 0 H LEU A 123 -9.545 -0.043 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.768 2.832 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.060 0.768 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.910 2.490 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.566 1.213 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.104 1.527 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.826 0.415 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.473 2.098 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.407 3.330 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.772 3.962 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.096 3.614 -1.548 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.682 1.179 -5.386 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.357 1.376 -6.683 1.00 0.00 C ATOM 1988 C GLN A 124 -12.859 1.685 -6.552 1.00 0.00 C ATOM 1989 O GLN A 124 -13.395 2.439 -7.368 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.084 0.179 -7.612 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.965 -1.046 -7.336 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.451 -2.285 -8.059 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.021 -2.761 -9.032 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.350 -2.847 -7.615 1.00 0.00 N ATOM 0 H GLN A 124 -10.349 0.228 -5.227 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.928 2.269 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.233 0.494 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.038 -0.111 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.996 -1.237 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.987 -0.838 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.869 -2.456 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.976 -3.674 -8.080 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.512 1.158 -5.510 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.922 1.391 -5.173 1.00 0.00 C ATOM 2005 C ASP A 125 -15.117 2.590 -4.217 1.00 0.00 C ATOM 2006 O ASP A 125 -16.240 2.901 -3.818 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.536 0.089 -4.628 1.00 0.00 C ATOM 2008 CG ASP A 125 -17.069 0.153 -4.490 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.747 0.664 -5.415 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.607 -0.335 -3.467 1.00 0.00 O ATOM 0 H ASP A 125 -13.053 0.530 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.454 1.671 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.271 -0.735 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.099 -0.132 -3.654 1.00 0.00 H new ATOM 2015 N HIS A 126 -14.038 3.311 -3.889 1.00 0.00 N ATOM 2016 CA HIS A 126 -14.106 4.651 -3.300 1.00 0.00 C ATOM 2017 C HIS A 126 -13.931 5.757 -4.349 1.00 0.00 C ATOM 2018 O HIS A 126 -14.569 6.801 -4.249 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.086 4.772 -2.165 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.132 6.119 -1.493 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -14.186 6.598 -0.708 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.163 7.073 -1.572 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.817 7.829 -0.318 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.615 8.139 -0.828 1.00 0.00 N ATOM 0 H HIS A 126 -13.085 2.976 -4.027 1.00 0.00 H new ATOM 0 HA HIS A 126 -15.104 4.789 -2.884 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.275 3.994 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.085 4.600 -2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.229 7.006 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.404 8.477 0.316 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.119 9.019 -0.688 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.127 5.523 -5.393 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.850 6.505 -6.453 1.00 0.00 C ATOM 2034 C PHE A 127 -13.812 6.465 -7.655 1.00 0.00 C ATOM 2035 O PHE A 127 -13.661 7.288 -8.555 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.388 6.355 -6.907 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.356 6.944 -5.965 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.421 6.110 -5.325 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.277 8.338 -5.792 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.384 6.666 -4.558 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.250 8.897 -5.011 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.294 8.061 -4.410 1.00 0.00 C ATOM 0 H PHE A 127 -12.643 4.635 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.021 7.487 -6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.172 5.295 -7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.277 6.827 -7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.501 5.038 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.008 8.981 -6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.658 6.023 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.196 9.967 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.488 8.491 -3.833 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.796 5.554 -7.728 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.670 5.415 -8.921 1.00 0.00 C ATOM 2054 C LYS A 128 -16.402 6.700 -9.347 1.00 0.00 C ATOM 2055 O LYS A 128 -16.533 6.963 -10.541 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.616 4.204 -8.822 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.838 4.342 -7.902 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.459 4.304 -6.421 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.682 4.243 -5.507 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.369 2.925 -5.569 1.00 0.00 N ATOM 0 H LYS A 128 -15.012 4.898 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.976 5.218 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.973 3.971 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.034 3.347 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.349 5.280 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.542 3.538 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.825 3.437 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.870 5.188 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.375 4.442 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.383 5.029 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.060 2.857 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.860 2.832 -6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.667 2.163 -5.475 1.00 0.00 H new