USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 CYS SG : rot 100:sc= -2.42 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.7!) USER MOD Single : A 46 MET CE :methyl -129:sc= -0.207 (180deg=-2.28) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -31:sc= 0.0277 USER MOD Single : A 63 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.1) USER MOD Single : A 66 SER OG : rot -170:sc= -0.259 USER MOD Single : A 67 GLN : amide:sc= -5.87! C(o=-5.9!,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= -0.0188 (180deg=-0.142) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.584 K(o=-0.58,f=-1.6) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -0.0129 (180deg=-0.273) USER MOD Single : A 91 SER OG : rot 150:sc= 0.489 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.723 9.308 0.300 1.00 0.00 N ATOM 168 CA GLY A 16 -1.133 7.917 0.244 1.00 0.00 C ATOM 169 C GLY A 16 -0.091 6.982 0.827 1.00 0.00 C ATOM 170 O GLY A 16 0.184 5.921 0.267 1.00 0.00 O ATOM 0 HA2 GLY A 16 -2.070 7.795 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.327 7.640 -0.792 1.00 0.00 H new ATOM 174 N PHE A 17 0.492 7.377 1.955 1.00 0.00 N ATOM 175 CA PHE A 17 1.511 6.568 2.613 1.00 0.00 C ATOM 176 C PHE A 17 0.882 5.379 3.331 1.00 0.00 C ATOM 177 O PHE A 17 -0.262 5.446 3.783 1.00 0.00 O ATOM 178 CB PHE A 17 2.304 7.419 3.608 1.00 0.00 C ATOM 179 CG PHE A 17 3.751 7.576 3.240 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.611 6.490 3.272 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.253 8.812 2.863 1.00 0.00 C ATOM 182 CE1 PHE A 17 5.944 6.633 2.936 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.585 8.961 2.525 1.00 0.00 C ATOM 184 CZ PHE A 17 6.431 7.870 2.561 1.00 0.00 C ATOM 0 H PHE A 17 0.276 8.252 2.432 1.00 0.00 H new ATOM 0 HA PHE A 17 2.189 6.190 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.845 8.405 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.236 6.966 4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.235 5.520 3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.596 9.668 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.604 5.779 2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.964 9.929 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.472 7.984 2.296 1.00 0.00 H new ATOM 194 N VAL A 18 1.636 4.289 3.433 1.00 0.00 N ATOM 195 CA VAL A 18 1.153 3.084 4.097 1.00 0.00 C ATOM 196 C VAL A 18 2.269 2.406 4.884 1.00 0.00 C ATOM 197 O VAL A 18 3.384 2.245 4.386 1.00 0.00 O ATOM 198 CB VAL A 18 0.570 2.081 3.084 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.664 2.658 2.409 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.621 1.694 2.053 1.00 0.00 C ATOM 0 H VAL A 18 2.584 4.216 3.064 1.00 0.00 H new ATOM 0 HA VAL A 18 0.365 3.394 4.784 1.00 0.00 H new ATOM 0 HB VAL A 18 0.272 1.181 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.061 1.934 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.421 2.879 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.396 3.575 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.192 0.985 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.952 2.585 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.472 1.235 2.556 1.00 0.00 H new ATOM 210 N ARG A 19 1.961 2.009 6.114 1.00 0.00 N ATOM 211 CA ARG A 19 2.938 1.348 6.971 1.00 0.00 C ATOM 212 C ARG A 19 2.715 -0.161 6.986 1.00 0.00 C ATOM 213 O ARG A 19 1.578 -0.631 7.005 1.00 0.00 O ATOM 214 CB ARG A 19 2.856 1.901 8.395 1.00 0.00 C ATOM 215 CG ARG A 19 3.695 1.127 9.398 1.00 0.00 C ATOM 216 CD ARG A 19 3.041 1.103 10.770 1.00 0.00 C ATOM 217 NE ARG A 19 3.243 2.354 11.496 1.00 0.00 N ATOM 218 CZ ARG A 19 4.426 2.762 11.942 1.00 0.00 C ATOM 219 NH1 ARG A 19 5.506 2.020 11.738 1.00 0.00 N ATOM 220 NH2 ARG A 19 4.531 3.912 12.593 1.00 0.00 N ATOM 0 H ARG A 19 1.042 2.134 6.540 1.00 0.00 H new ATOM 0 HA ARG A 19 3.931 1.547 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.179 2.942 8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.816 1.891 8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.838 0.106 9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.684 1.579 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.973 0.917 10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.450 0.277 11.352 1.00 0.00 H new ATOM 0 HE ARG A 19 2.431 2.947 11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.429 1.134 11.238 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.413 2.335 12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.703 4.485 12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.440 4.223 12.935 1.00 0.00 H new ATOM 234 N LEU A 20 3.809 -0.915 6.976 1.00 0.00 N ATOM 235 CA LEU A 20 3.733 -2.372 6.988 1.00 0.00 C ATOM 236 C LEU A 20 4.354 -2.939 8.260 1.00 0.00 C ATOM 237 O LEU A 20 5.318 -2.387 8.793 1.00 0.00 O ATOM 238 CB LEU A 20 4.442 -2.949 5.762 1.00 0.00 C ATOM 239 CG LEU A 20 4.335 -2.127 4.476 1.00 0.00 C ATOM 240 CD1 LEU A 20 4.996 -2.859 3.318 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.878 -1.823 4.157 1.00 0.00 C ATOM 0 H LEU A 20 4.758 -0.542 6.960 1.00 0.00 H new ATOM 0 HA LEU A 20 2.681 -2.656 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.498 -3.074 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.039 -3.943 5.569 1.00 0.00 H new ATOM 0 HG LEU A 20 4.857 -1.182 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.910 -2.259 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.049 -3.024 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.503 -3.819 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.821 -1.238 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.332 -2.757 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.437 -1.256 4.977 1.00 0.00 H new ATOM 253 N ARG A 21 3.797 -4.045 8.743 1.00 0.00 N ATOM 254 CA ARG A 21 4.296 -4.687 9.953 1.00 0.00 C ATOM 255 C ARG A 21 4.260 -6.206 9.816 1.00 0.00 C ATOM 256 O ARG A 21 3.236 -6.784 9.458 1.00 0.00 O ATOM 257 CB ARG A 21 3.469 -4.254 11.165 1.00 0.00 C ATOM 258 CG ARG A 21 4.176 -3.247 12.057 1.00 0.00 C ATOM 259 CD ARG A 21 3.388 -2.980 13.329 1.00 0.00 C ATOM 260 NE ARG A 21 4.057 -3.515 14.511 1.00 0.00 N ATOM 261 CZ ARG A 21 3.567 -3.414 15.742 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.410 -2.800 15.951 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.234 -3.928 16.767 1.00 0.00 N ATOM 0 H ARG A 21 3.000 -4.515 8.315 1.00 0.00 H new ATOM 0 HA ARG A 21 5.331 -4.376 10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.530 -3.823 10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.216 -5.135 11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.168 -3.620 12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.317 -2.313 11.513 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.246 -1.906 13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.397 -3.425 13.241 1.00 0.00 H new ATOM 0 HE ARG A 21 4.949 -3.993 14.385 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.894 -2.404 15.166 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.037 -2.724 16.897 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.124 -4.401 16.611 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.857 -3.850 17.712 1.00 0.00 H new ATOM 277 N GLY A 22 5.389 -6.847 10.103 1.00 0.00 N ATOM 278 CA GLY A 22 5.466 -8.294 10.005 1.00 0.00 C ATOM 279 C GLY A 22 6.063 -8.756 8.691 1.00 0.00 C ATOM 280 O GLY A 22 5.694 -9.807 8.167 1.00 0.00 O ATOM 0 H GLY A 22 6.251 -6.391 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.067 -8.679 10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.467 -8.716 10.115 1.00 0.00 H new ATOM 284 N LEU A 23 6.988 -7.967 8.154 1.00 0.00 N ATOM 285 CA LEU A 23 7.637 -8.300 6.891 1.00 0.00 C ATOM 286 C LEU A 23 8.544 -9.515 7.049 1.00 0.00 C ATOM 287 O LEU A 23 9.190 -9.711 8.079 1.00 0.00 O ATOM 288 CB LEU A 23 8.449 -7.106 6.382 1.00 0.00 C ATOM 289 CG LEU A 23 7.668 -5.813 6.153 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.613 -4.670 5.817 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.640 -5.999 5.046 1.00 0.00 C ATOM 0 H LEU A 23 7.305 -7.093 8.574 1.00 0.00 H new ATOM 0 HA LEU A 23 6.861 -8.541 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.247 -6.903 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.926 -7.390 5.444 1.00 0.00 H new ATOM 0 HG LEU A 23 7.141 -5.563 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.038 -3.758 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.310 -4.520 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.169 -4.912 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.093 -5.068 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.147 -6.274 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.942 -6.788 5.326 1.00 0.00 H new ATOM 303 N PRO A 24 8.597 -10.354 6.003 1.00 0.00 N ATOM 304 CA PRO A 24 9.423 -11.565 5.999 1.00 0.00 C ATOM 305 C PRO A 24 10.914 -11.248 5.945 1.00 0.00 C ATOM 306 O PRO A 24 11.308 -10.091 5.798 1.00 0.00 O ATOM 307 CB PRO A 24 8.985 -12.290 4.724 1.00 0.00 C ATOM 308 CG PRO A 24 8.468 -11.214 3.834 1.00 0.00 C ATOM 309 CD PRO A 24 7.853 -10.184 4.743 1.00 0.00 C ATOM 0 HA PRO A 24 9.289 -12.153 6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.819 -12.818 4.263 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.215 -13.032 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.272 -10.780 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.730 -11.607 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.965 -9.176 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.785 -10.355 4.880 1.00 0.00 H new ATOM 317 N PHE A 25 11.739 -12.284 6.066 1.00 0.00 N ATOM 318 CA PHE A 25 13.187 -12.115 6.032 1.00 0.00 C ATOM 319 C PHE A 25 13.657 -11.729 4.632 1.00 0.00 C ATOM 320 O PHE A 25 13.338 -12.399 3.651 1.00 0.00 O ATOM 321 CB PHE A 25 13.881 -13.405 6.477 1.00 0.00 C ATOM 322 CG PHE A 25 14.437 -13.335 7.870 1.00 0.00 C ATOM 323 CD1 PHE A 25 15.341 -12.346 8.221 1.00 0.00 C ATOM 324 CD2 PHE A 25 14.056 -14.260 8.829 1.00 0.00 C ATOM 325 CE1 PHE A 25 15.854 -12.279 9.503 1.00 0.00 C ATOM 326 CE2 PHE A 25 14.565 -14.198 10.112 1.00 0.00 C ATOM 327 CZ PHE A 25 15.466 -13.208 10.449 1.00 0.00 C ATOM 0 H PHE A 25 11.429 -13.248 6.188 1.00 0.00 H new ATOM 0 HA PHE A 25 13.451 -11.311 6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.170 -14.229 6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.690 -13.632 5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.649 -11.619 7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.353 -15.038 8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.557 -11.502 9.765 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.258 -14.924 10.851 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.867 -13.160 11.451 1.00 0.00 H new ATOM 337 N GLY A 26 14.416 -10.640 4.549 1.00 0.00 N ATOM 338 CA GLY A 26 14.917 -10.181 3.267 1.00 0.00 C ATOM 339 C GLY A 26 13.877 -9.408 2.481 1.00 0.00 C ATOM 340 O GLY A 26 14.036 -9.184 1.281 1.00 0.00 O ATOM 0 H GLY A 26 14.693 -10.068 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.791 -9.549 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.247 -11.039 2.681 1.00 0.00 H new ATOM 344 N CYS A 27 12.809 -9.000 3.158 1.00 0.00 N ATOM 345 CA CYS A 27 11.736 -8.249 2.515 1.00 0.00 C ATOM 346 C CYS A 27 12.242 -6.900 2.016 1.00 0.00 C ATOM 347 O CYS A 27 12.700 -6.069 2.801 1.00 0.00 O ATOM 348 CB CYS A 27 10.574 -8.045 3.488 1.00 0.00 C ATOM 349 SG CYS A 27 9.160 -7.173 2.775 1.00 0.00 S ATOM 0 H CYS A 27 12.663 -9.177 4.152 1.00 0.00 H new ATOM 0 HA CYS A 27 11.385 -8.824 1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.242 -9.018 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.932 -7.488 4.354 1.00 0.00 H new ATOM 0 HG CYS A 27 8.244 -8.032 2.441 1.00 0.00 H new ATOM 355 N SER A 28 12.154 -6.688 0.707 1.00 0.00 N ATOM 356 CA SER A 28 12.607 -5.441 0.103 1.00 0.00 C ATOM 357 C SER A 28 11.607 -4.946 -0.938 1.00 0.00 C ATOM 358 O SER A 28 10.593 -5.594 -1.198 1.00 0.00 O ATOM 359 CB SER A 28 13.980 -5.632 -0.545 1.00 0.00 C ATOM 360 OG SER A 28 14.945 -6.033 0.414 1.00 0.00 O ATOM 0 H SER A 28 11.773 -7.364 0.045 1.00 0.00 H new ATOM 0 HA SER A 28 12.685 -4.693 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.913 -6.382 -1.333 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.296 -4.701 -1.016 1.00 0.00 H new ATOM 0 HG SER A 28 15.813 -6.150 -0.025 1.00 0.00 H new ATOM 366 N LYS A 29 11.900 -3.793 -1.530 1.00 0.00 N ATOM 367 CA LYS A 29 11.029 -3.210 -2.543 1.00 0.00 C ATOM 368 C LYS A 29 10.714 -4.224 -3.639 1.00 0.00 C ATOM 369 O LYS A 29 9.559 -4.387 -4.032 1.00 0.00 O ATOM 370 CB LYS A 29 11.682 -1.968 -3.154 1.00 0.00 C ATOM 371 CG LYS A 29 12.091 -0.927 -2.125 1.00 0.00 C ATOM 372 CD LYS A 29 13.202 -0.034 -2.648 1.00 0.00 C ATOM 373 CE LYS A 29 14.243 0.247 -1.575 1.00 0.00 C ATOM 374 NZ LYS A 29 15.628 0.202 -2.120 1.00 0.00 N ATOM 0 H LYS A 29 12.735 -3.244 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 29 10.095 -2.921 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.562 -2.272 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.988 -1.514 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.227 -0.317 -1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.422 -1.425 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.680 -0.510 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.779 0.906 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.057 1.227 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.144 -0.485 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.308 0.399 -1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.815 -0.741 -2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.730 0.917 -2.868 1.00 0.00 H new ATOM 388 N GLU A 30 11.749 -4.900 -4.127 1.00 0.00 N ATOM 389 CA GLU A 30 11.581 -5.898 -5.177 1.00 0.00 C ATOM 390 C GLU A 30 10.385 -6.800 -4.885 1.00 0.00 C ATOM 391 O GLU A 30 9.683 -7.232 -5.798 1.00 0.00 O ATOM 392 CB GLU A 30 12.850 -6.743 -5.317 1.00 0.00 C ATOM 393 CG GLU A 30 13.971 -6.038 -6.060 1.00 0.00 C ATOM 394 CD GLU A 30 14.877 -7.002 -6.801 1.00 0.00 C ATOM 395 OE1 GLU A 30 14.374 -8.041 -7.278 1.00 0.00 O ATOM 396 OE2 GLU A 30 16.089 -6.718 -6.902 1.00 0.00 O ATOM 0 H GLU A 30 12.711 -4.775 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 30 11.398 -5.373 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.202 -7.021 -4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.605 -7.668 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.543 -5.330 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.564 -5.460 -5.351 1.00 0.00 H new ATOM 403 N GLU A 31 10.162 -7.080 -3.605 1.00 0.00 N ATOM 404 CA GLU A 31 9.052 -7.932 -3.192 1.00 0.00 C ATOM 405 C GLU A 31 7.785 -7.110 -2.980 1.00 0.00 C ATOM 406 O GLU A 31 6.674 -7.593 -3.205 1.00 0.00 O ATOM 407 CB GLU A 31 9.408 -8.683 -1.907 1.00 0.00 C ATOM 408 CG GLU A 31 10.143 -9.990 -2.149 1.00 0.00 C ATOM 409 CD GLU A 31 9.407 -10.905 -3.108 1.00 0.00 C ATOM 410 OE1 GLU A 31 8.336 -11.423 -2.730 1.00 0.00 O ATOM 411 OE2 GLU A 31 9.904 -11.102 -4.237 1.00 0.00 O ATOM 0 H GLU A 31 10.734 -6.730 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 31 8.866 -8.654 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.025 -8.040 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.493 -8.888 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.135 -9.776 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.284 -10.504 -1.198 1.00 0.00 H new ATOM 418 N ILE A 32 7.959 -5.866 -2.547 1.00 0.00 N ATOM 419 CA ILE A 32 6.830 -4.977 -2.305 1.00 0.00 C ATOM 420 C ILE A 32 6.151 -4.582 -3.612 1.00 0.00 C ATOM 421 O ILE A 32 4.970 -4.863 -3.820 1.00 0.00 O ATOM 422 CB ILE A 32 7.267 -3.701 -1.562 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.879 -4.058 -0.206 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.086 -2.759 -1.385 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.434 -2.865 0.540 1.00 0.00 C ATOM 0 H ILE A 32 8.871 -5.451 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 32 6.124 -5.527 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 32 8.025 -3.193 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.120 -4.541 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.677 -4.785 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.412 -1.862 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.692 -2.482 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.307 -3.257 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.851 -3.193 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.216 -2.395 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.635 -2.146 0.723 1.00 0.00 H new ATOM 437 N VAL A 33 6.905 -3.931 -4.492 1.00 0.00 N ATOM 438 CA VAL A 33 6.378 -3.502 -5.781 1.00 0.00 C ATOM 439 C VAL A 33 5.402 -4.528 -6.346 1.00 0.00 C ATOM 440 O VAL A 33 4.305 -4.182 -6.783 1.00 0.00 O ATOM 441 CB VAL A 33 7.508 -3.268 -6.802 1.00 0.00 C ATOM 442 CG1 VAL A 33 6.944 -3.167 -8.210 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.298 -2.018 -6.443 1.00 0.00 C ATOM 0 H VAL A 33 7.883 -3.689 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 33 5.854 -2.562 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 33 8.186 -4.121 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.757 -3.002 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.427 -4.093 -8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.243 -2.334 -8.262 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.092 -1.867 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.633 -1.154 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.735 -2.136 -5.452 1.00 0.00 H new ATOM 453 N GLN A 34 5.810 -5.793 -6.333 1.00 0.00 N ATOM 454 CA GLN A 34 4.972 -6.871 -6.845 1.00 0.00 C ATOM 455 C GLN A 34 3.816 -7.161 -5.892 1.00 0.00 C ATOM 456 O GLN A 34 2.707 -7.476 -6.323 1.00 0.00 O ATOM 457 CB GLN A 34 5.804 -8.136 -7.057 1.00 0.00 C ATOM 458 CG GLN A 34 6.241 -8.342 -8.498 1.00 0.00 C ATOM 459 CD GLN A 34 6.824 -9.722 -8.739 1.00 0.00 C ATOM 460 OE1 GLN A 34 6.094 -10.685 -8.973 1.00 0.00 O ATOM 461 NE2 GLN A 34 8.147 -9.824 -8.684 1.00 0.00 N ATOM 0 H GLN A 34 6.715 -6.096 -5.974 1.00 0.00 H new ATOM 0 HA GLN A 34 4.559 -6.553 -7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.688 -8.090 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.224 -9.001 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.386 -8.192 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.982 -7.587 -8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.714 -9.000 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.596 -10.727 -8.839 1.00 0.00 H new ATOM 470 N PHE A 35 4.084 -7.053 -4.595 1.00 0.00 N ATOM 471 CA PHE A 35 3.068 -7.305 -3.581 1.00 0.00 C ATOM 472 C PHE A 35 1.869 -6.381 -3.771 1.00 0.00 C ATOM 473 O PHE A 35 0.761 -6.685 -3.329 1.00 0.00 O ATOM 474 CB PHE A 35 3.655 -7.115 -2.181 1.00 0.00 C ATOM 475 CG PHE A 35 2.614 -6.939 -1.113 1.00 0.00 C ATOM 476 CD1 PHE A 35 2.004 -8.040 -0.534 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.247 -5.673 -0.687 1.00 0.00 C ATOM 478 CE1 PHE A 35 1.045 -7.882 0.450 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.289 -5.508 0.296 1.00 0.00 C ATOM 480 CZ PHE A 35 0.688 -6.613 0.866 1.00 0.00 C ATOM 0 H PHE A 35 4.997 -6.793 -4.222 1.00 0.00 H new ATOM 0 HA PHE A 35 2.731 -8.336 -3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.274 -7.978 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.310 -6.244 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.281 -9.033 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.715 -4.805 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.576 -8.748 0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.011 -4.515 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.059 -6.486 1.635 1.00 0.00 H new ATOM 490 N PHE A 36 2.099 -5.251 -4.431 1.00 0.00 N ATOM 491 CA PHE A 36 1.040 -4.281 -4.680 1.00 0.00 C ATOM 492 C PHE A 36 0.637 -4.280 -6.152 1.00 0.00 C ATOM 493 O PHE A 36 0.335 -3.232 -6.722 1.00 0.00 O ATOM 494 CB PHE A 36 1.492 -2.881 -4.262 1.00 0.00 C ATOM 495 CG PHE A 36 1.408 -2.639 -2.782 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.238 -2.907 -2.089 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.497 -2.144 -2.083 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.156 -2.686 -0.727 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.422 -1.922 -0.722 1.00 0.00 C ATOM 500 CZ PHE A 36 1.249 -2.192 -0.043 1.00 0.00 C ATOM 0 H PHE A 36 3.010 -4.984 -4.803 1.00 0.00 H new ATOM 0 HA PHE A 36 0.173 -4.568 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.520 -2.728 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.880 -2.141 -4.778 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.620 -3.293 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.416 -1.929 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.761 -2.899 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.279 -1.538 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.187 -2.017 1.021 1.00 0.00 H new ATOM 510 N SER A 37 0.635 -5.462 -6.759 1.00 0.00 N ATOM 511 CA SER A 37 0.274 -5.597 -8.166 1.00 0.00 C ATOM 512 C SER A 37 -1.021 -4.850 -8.468 1.00 0.00 C ATOM 513 O SER A 37 -1.956 -4.856 -7.669 1.00 0.00 O ATOM 514 CB SER A 37 0.123 -7.074 -8.535 1.00 0.00 C ATOM 515 OG SER A 37 -1.096 -7.601 -8.041 1.00 0.00 O ATOM 0 H SER A 37 0.879 -6.339 -6.300 1.00 0.00 H new ATOM 0 HA SER A 37 1.073 -5.160 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.159 -7.187 -9.619 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.960 -7.641 -8.127 1.00 0.00 H new ATOM 0 HG SER A 37 -1.169 -8.546 -8.291 1.00 0.00 H new ATOM 521 N GLY A 38 -1.068 -4.207 -9.631 1.00 0.00 N ATOM 522 CA GLY A 38 -2.253 -3.464 -10.020 1.00 0.00 C ATOM 523 C GLY A 38 -2.218 -2.026 -9.542 1.00 0.00 C ATOM 524 O GLY A 38 -2.800 -1.140 -10.169 1.00 0.00 O ATOM 0 H GLY A 38 -0.307 -4.187 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.348 -3.481 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.137 -3.957 -9.615 1.00 0.00 H new ATOM 528 N LEU A 39 -1.534 -1.791 -8.427 1.00 0.00 N ATOM 529 CA LEU A 39 -1.427 -0.450 -7.863 1.00 0.00 C ATOM 530 C LEU A 39 -0.212 0.282 -8.426 1.00 0.00 C ATOM 531 O LEU A 39 0.780 -0.341 -8.800 1.00 0.00 O ATOM 532 CB LEU A 39 -1.333 -0.522 -6.339 1.00 0.00 C ATOM 533 CG LEU A 39 -2.471 -1.257 -5.629 1.00 0.00 C ATOM 534 CD1 LEU A 39 -1.996 -1.819 -4.299 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.659 -0.330 -5.425 1.00 0.00 C ATOM 0 H LEU A 39 -1.045 -2.512 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.323 0.106 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.394 -1.008 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.286 0.495 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.789 -2.089 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.819 -2.338 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.177 -2.518 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.650 -1.004 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.459 -0.870 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.355 0.522 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.016 0.023 -6.393 1.00 0.00 H new ATOM 547 N GLU A 40 -0.298 1.607 -8.479 1.00 0.00 N ATOM 548 CA GLU A 40 0.796 2.423 -8.994 1.00 0.00 C ATOM 549 C GLU A 40 1.492 3.176 -7.864 1.00 0.00 C ATOM 550 O GLU A 40 0.858 3.932 -7.126 1.00 0.00 O ATOM 551 CB GLU A 40 0.275 3.414 -10.038 1.00 0.00 C ATOM 552 CG GLU A 40 1.205 4.592 -10.275 1.00 0.00 C ATOM 553 CD GLU A 40 0.802 5.419 -11.481 1.00 0.00 C ATOM 554 OE1 GLU A 40 0.621 4.833 -12.568 1.00 0.00 O ATOM 555 OE2 GLU A 40 0.668 6.652 -11.336 1.00 0.00 O ATOM 0 H GLU A 40 -1.113 2.138 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 40 1.521 1.758 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.120 2.888 -10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.698 3.788 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.213 5.228 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.222 4.225 -10.414 1.00 0.00 H new ATOM 562 N ILE A 41 2.797 2.964 -7.735 1.00 0.00 N ATOM 563 CA ILE A 41 3.578 3.622 -6.696 1.00 0.00 C ATOM 564 C ILE A 41 4.648 4.524 -7.301 1.00 0.00 C ATOM 565 O ILE A 41 5.147 4.265 -8.397 1.00 0.00 O ATOM 566 CB ILE A 41 4.254 2.598 -5.764 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.262 1.500 -5.373 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.803 3.289 -4.526 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.926 0.201 -4.975 1.00 0.00 C ATOM 0 H ILE A 41 3.336 2.342 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 41 2.882 4.226 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 41 5.086 2.138 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.648 1.854 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.590 1.314 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.277 2.552 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.538 4.037 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.988 3.774 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.163 -0.531 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.517 -0.176 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.577 0.373 -4.118 1.00 0.00 H new ATOM 581 N VAL A 42 4.998 5.584 -6.580 1.00 0.00 N ATOM 582 CA VAL A 42 6.012 6.525 -7.045 1.00 0.00 C ATOM 583 C VAL A 42 7.406 5.914 -6.964 1.00 0.00 C ATOM 584 O VAL A 42 7.695 5.075 -6.110 1.00 0.00 O ATOM 585 CB VAL A 42 5.986 7.828 -6.225 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.720 8.618 -6.517 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.104 7.525 -4.739 1.00 0.00 C ATOM 0 H VAL A 42 4.595 5.813 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 42 5.779 6.754 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 42 6.841 8.437 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.720 9.535 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.683 8.867 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.848 8.018 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.084 8.457 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.270 6.895 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.043 7.005 -4.547 1.00 0.00 H new ATOM 597 N PRO A 43 8.294 6.343 -7.873 1.00 0.00 N ATOM 598 CA PRO A 43 9.675 5.852 -7.924 1.00 0.00 C ATOM 599 C PRO A 43 10.506 6.334 -6.740 1.00 0.00 C ATOM 600 O PRO A 43 10.716 7.534 -6.565 1.00 0.00 O ATOM 601 CB PRO A 43 10.212 6.441 -9.230 1.00 0.00 C ATOM 602 CG PRO A 43 9.384 7.657 -9.466 1.00 0.00 C ATOM 603 CD PRO A 43 8.019 7.341 -8.920 1.00 0.00 C ATOM 0 HA PRO A 43 9.723 4.764 -7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.269 6.692 -9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.117 5.732 -10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.813 8.525 -8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.334 7.895 -10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.534 8.228 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.360 6.943 -9.691 1.00 0.00 H new ATOM 611 N ASN A 44 10.977 5.392 -5.930 1.00 0.00 N ATOM 612 CA ASN A 44 11.786 5.722 -4.762 1.00 0.00 C ATOM 613 C ASN A 44 10.913 6.253 -3.629 1.00 0.00 C ATOM 614 O ASN A 44 11.342 7.099 -2.846 1.00 0.00 O ATOM 615 CB ASN A 44 12.850 6.757 -5.129 1.00 0.00 C ATOM 616 CG ASN A 44 14.234 6.356 -4.659 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.382 5.492 -3.794 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.259 6.982 -5.227 1.00 0.00 N ATOM 0 H ASN A 44 10.813 4.394 -6.061 1.00 0.00 H new ATOM 0 HA ASN A 44 12.278 4.811 -4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.862 6.894 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.584 7.718 -4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.214 6.753 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.091 7.692 -5.940 1.00 0.00 H new ATOM 625 N GLY A 45 9.685 5.749 -3.549 1.00 0.00 N ATOM 626 CA GLY A 45 8.772 6.183 -2.508 1.00 0.00 C ATOM 627 C GLY A 45 8.540 5.116 -1.457 1.00 0.00 C ATOM 628 O GLY A 45 7.419 4.941 -0.978 1.00 0.00 O ATOM 0 H GLY A 45 9.307 5.048 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.170 7.078 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.818 6.459 -2.958 1.00 0.00 H new ATOM 632 N MET A 46 9.600 4.398 -1.100 1.00 0.00 N ATOM 633 CA MET A 46 9.506 3.342 -0.099 1.00 0.00 C ATOM 634 C MET A 46 10.625 3.464 0.930 1.00 0.00 C ATOM 635 O MET A 46 11.769 3.764 0.585 1.00 0.00 O ATOM 636 CB MET A 46 9.562 1.968 -0.771 1.00 0.00 C ATOM 637 CG MET A 46 8.303 1.618 -1.547 1.00 0.00 C ATOM 638 SD MET A 46 8.396 -0.005 -2.327 1.00 0.00 S ATOM 639 CE MET A 46 7.581 0.323 -3.887 1.00 0.00 C ATOM 0 H MET A 46 10.534 4.528 -1.489 1.00 0.00 H new ATOM 0 HA MET A 46 8.552 3.449 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.416 1.939 -1.448 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.733 1.207 -0.009 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.447 1.644 -0.873 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.130 2.375 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.804 -0.422 -4.055 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.132 1.316 -3.861 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.310 0.275 -4.696 1.00 0.00 H new ATOM 649 N THR A 47 10.288 3.232 2.195 1.00 0.00 N ATOM 650 CA THR A 47 11.265 3.318 3.273 1.00 0.00 C ATOM 651 C THR A 47 11.314 2.023 4.076 1.00 0.00 C ATOM 652 O THR A 47 10.286 1.536 4.550 1.00 0.00 O ATOM 653 CB THR A 47 10.948 4.487 4.225 1.00 0.00 C ATOM 654 OG1 THR A 47 11.099 5.733 3.537 1.00 0.00 O ATOM 655 CG2 THR A 47 11.864 4.459 5.440 1.00 0.00 C ATOM 0 H THR A 47 9.346 2.983 2.498 1.00 0.00 H new ATOM 0 HA THR A 47 12.235 3.490 2.807 1.00 0.00 H new ATOM 0 HB THR A 47 9.917 4.382 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.894 6.471 4.148 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.622 5.294 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.726 3.521 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.901 4.542 5.116 1.00 0.00 H new ATOM 663 N LEU A 48 12.511 1.470 4.223 1.00 0.00 N ATOM 664 CA LEU A 48 12.694 0.229 4.971 1.00 0.00 C ATOM 665 C LEU A 48 13.826 0.366 5.984 1.00 0.00 C ATOM 666 O LEU A 48 14.999 0.159 5.674 1.00 0.00 O ATOM 667 CB LEU A 48 12.989 -0.928 4.013 1.00 0.00 C ATOM 668 CG LEU A 48 11.804 -1.828 3.666 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.568 -1.844 2.163 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.036 -3.240 4.186 1.00 0.00 C ATOM 0 H LEU A 48 13.370 1.859 3.835 1.00 0.00 H new ATOM 0 HA LEU A 48 11.771 0.019 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.389 -0.514 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.773 -1.546 4.451 1.00 0.00 H new ATOM 0 HG LEU A 48 10.913 -1.426 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.720 -2.490 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.357 -0.832 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.458 -2.221 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.182 -3.867 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.937 -3.651 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.155 -3.214 5.269 1.00 0.00 H new ATOM 682 N PRO A 49 13.467 0.721 7.227 1.00 0.00 N ATOM 683 CA PRO A 49 14.437 0.890 8.313 1.00 0.00 C ATOM 684 C PRO A 49 15.043 -0.435 8.761 1.00 0.00 C ATOM 685 O PRO A 49 14.642 -1.502 8.296 1.00 0.00 O ATOM 686 CB PRO A 49 13.605 1.506 9.440 1.00 0.00 C ATOM 687 CG PRO A 49 12.209 1.064 9.166 1.00 0.00 C ATOM 688 CD PRO A 49 12.087 0.985 7.668 1.00 0.00 C ATOM 0 HA PRO A 49 15.286 1.502 8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.945 1.161 10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.683 2.593 9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.009 0.096 9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.488 1.769 9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.408 0.189 7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.701 1.913 7.247 1.00 0.00 H new ATOM 696 N VAL A 50 16.013 -0.361 9.668 1.00 0.00 N ATOM 697 CA VAL A 50 16.673 -1.556 10.181 1.00 0.00 C ATOM 698 C VAL A 50 17.113 -1.364 11.627 1.00 0.00 C ATOM 699 O VAL A 50 16.851 -0.324 12.233 1.00 0.00 O ATOM 700 CB VAL A 50 17.900 -1.929 9.328 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.469 -2.373 7.937 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.868 -0.758 9.246 1.00 0.00 C ATOM 0 H VAL A 50 16.359 0.514 10.062 1.00 0.00 H new ATOM 0 HA VAL A 50 15.945 -2.365 10.131 1.00 0.00 H new ATOM 0 HB VAL A 50 18.413 -2.763 9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.349 -2.632 7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.818 -3.243 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.931 -1.562 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.729 -1.039 8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.367 0.097 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.202 -0.491 10.249 1.00 0.00 H new ATOM 803 N THR A 57 13.626 -4.386 10.481 1.00 0.00 N ATOM 804 CA THR A 57 12.812 -4.317 11.688 1.00 0.00 C ATOM 805 C THR A 57 11.387 -4.788 11.419 1.00 0.00 C ATOM 806 O THR A 57 10.495 -4.603 12.245 1.00 0.00 O ATOM 807 CB THR A 57 12.769 -2.886 12.257 1.00 0.00 C ATOM 808 OG1 THR A 57 12.149 -2.003 11.315 1.00 0.00 O ATOM 809 CG2 THR A 57 14.171 -2.390 12.578 1.00 0.00 C ATOM 0 HA THR A 57 13.278 -4.977 12.420 1.00 0.00 H new ATOM 0 HB THR A 57 12.186 -2.901 13.178 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.335 -2.313 10.404 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.116 -1.378 12.978 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.630 -3.048 13.316 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.773 -2.389 11.670 1.00 0.00 H new ATOM 817 N GLY A 58 11.180 -5.398 10.257 1.00 0.00 N ATOM 818 CA GLY A 58 9.861 -5.887 9.899 1.00 0.00 C ATOM 819 C GLY A 58 8.876 -4.764 9.647 1.00 0.00 C ATOM 820 O GLY A 58 7.664 -4.969 9.704 1.00 0.00 O ATOM 0 H GLY A 58 11.902 -5.563 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.937 -6.507 9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.484 -6.525 10.699 1.00 0.00 H new ATOM 824 N GLU A 59 9.398 -3.573 9.368 1.00 0.00 N ATOM 825 CA GLU A 59 8.554 -2.412 9.108 1.00 0.00 C ATOM 826 C GLU A 59 8.975 -1.711 7.821 1.00 0.00 C ATOM 827 O GLU A 59 10.141 -1.754 7.430 1.00 0.00 O ATOM 828 CB GLU A 59 8.621 -1.433 10.281 1.00 0.00 C ATOM 829 CG GLU A 59 7.875 -1.910 11.516 1.00 0.00 C ATOM 830 CD GLU A 59 8.387 -1.270 12.791 1.00 0.00 C ATOM 831 OE1 GLU A 59 7.983 -0.125 13.084 1.00 0.00 O ATOM 832 OE2 GLU A 59 9.193 -1.913 13.496 1.00 0.00 O ATOM 0 H GLU A 59 10.400 -3.387 9.316 1.00 0.00 H new ATOM 0 HA GLU A 59 7.527 -2.759 8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.666 -1.262 10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.210 -0.474 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.814 -1.688 11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.967 -2.993 11.595 1.00 0.00 H new ATOM 839 N ALA A 60 8.017 -1.064 7.165 1.00 0.00 N ATOM 840 CA ALA A 60 8.288 -0.351 5.922 1.00 0.00 C ATOM 841 C ALA A 60 7.194 0.668 5.624 1.00 0.00 C ATOM 842 O ALA A 60 6.064 0.536 6.094 1.00 0.00 O ATOM 843 CB ALA A 60 8.424 -1.335 4.769 1.00 0.00 C ATOM 0 H ALA A 60 7.046 -1.019 7.474 1.00 0.00 H new ATOM 0 HA ALA A 60 9.228 0.188 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.626 -0.790 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.246 -2.022 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.498 -1.899 4.661 1.00 0.00 H new ATOM 849 N PHE A 61 7.536 1.684 4.839 1.00 0.00 N ATOM 850 CA PHE A 61 6.583 2.727 4.479 1.00 0.00 C ATOM 851 C PHE A 61 6.563 2.949 2.969 1.00 0.00 C ATOM 852 O PHE A 61 7.578 3.302 2.369 1.00 0.00 O ATOM 853 CB PHE A 61 6.932 4.035 5.193 1.00 0.00 C ATOM 854 CG PHE A 61 6.701 3.988 6.677 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.460 4.304 7.208 1.00 0.00 C ATOM 856 CD2 PHE A 61 7.723 3.628 7.540 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.245 4.262 8.573 1.00 0.00 C ATOM 858 CE2 PHE A 61 7.513 3.583 8.905 1.00 0.00 C ATOM 859 CZ PHE A 61 6.272 3.901 9.422 1.00 0.00 C ATOM 0 H PHE A 61 8.467 1.807 4.440 1.00 0.00 H new ATOM 0 HA PHE A 61 5.591 2.402 4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.978 4.275 5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.337 4.843 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.653 4.586 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.695 3.380 7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.274 4.511 8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.318 3.300 9.567 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.106 3.867 10.489 1.00 0.00 H new ATOM 869 N VAL A 62 5.400 2.738 2.361 1.00 0.00 N ATOM 870 CA VAL A 62 5.247 2.915 0.922 1.00 0.00 C ATOM 871 C VAL A 62 4.412 4.150 0.607 1.00 0.00 C ATOM 872 O VAL A 62 3.472 4.478 1.331 1.00 0.00 O ATOM 873 CB VAL A 62 4.587 1.684 0.273 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.459 1.877 -1.230 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.380 0.424 0.592 1.00 0.00 C ATOM 0 H VAL A 62 4.550 2.444 2.843 1.00 0.00 H new ATOM 0 HA VAL A 62 6.248 3.042 0.510 1.00 0.00 H new ATOM 0 HB VAL A 62 3.585 1.570 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.991 0.997 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.846 2.755 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.449 2.017 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.900 -0.436 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.395 0.526 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.414 0.279 1.672 1.00 0.00 H new ATOM 885 N GLN A 63 4.761 4.831 -0.480 1.00 0.00 N ATOM 886 CA GLN A 63 4.043 6.032 -0.891 1.00 0.00 C ATOM 887 C GLN A 63 3.389 5.835 -2.255 1.00 0.00 C ATOM 888 O GLN A 63 4.065 5.833 -3.285 1.00 0.00 O ATOM 889 CB GLN A 63 4.993 7.230 -0.937 1.00 0.00 C ATOM 890 CG GLN A 63 4.280 8.572 -0.964 1.00 0.00 C ATOM 891 CD GLN A 63 5.231 9.742 -0.810 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.357 9.584 -0.336 1.00 0.00 O ATOM 893 NE2 GLN A 63 4.783 10.926 -1.210 1.00 0.00 N ATOM 0 H GLN A 63 5.535 4.572 -1.091 1.00 0.00 H new ATOM 0 HA GLN A 63 3.261 6.226 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.651 7.195 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.627 7.147 -1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.737 8.672 -1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.540 8.602 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.843 11.012 -1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.379 11.750 -1.130 1.00 0.00 H new ATOM 902 N PHE A 64 2.070 5.667 -2.255 1.00 0.00 N ATOM 903 CA PHE A 64 1.325 5.467 -3.494 1.00 0.00 C ATOM 904 C PHE A 64 1.209 6.773 -4.274 1.00 0.00 C ATOM 905 O PHE A 64 1.332 7.859 -3.710 1.00 0.00 O ATOM 906 CB PHE A 64 -0.068 4.914 -3.191 1.00 0.00 C ATOM 907 CG PHE A 64 -0.078 3.441 -2.899 1.00 0.00 C ATOM 908 CD1 PHE A 64 0.018 2.517 -3.927 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.184 2.980 -1.597 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.009 1.161 -3.662 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.192 1.625 -1.326 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.097 0.714 -2.359 1.00 0.00 C ATOM 0 H PHE A 64 1.496 5.665 -1.412 1.00 0.00 H new ATOM 0 HA PHE A 64 1.869 4.747 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.484 5.448 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.722 5.112 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.101 2.861 -4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.261 3.687 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.085 0.451 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.273 1.279 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.106 -0.345 -2.149 1.00 0.00 H new ATOM 922 N ALA A 65 0.970 6.657 -5.576 1.00 0.00 N ATOM 923 CA ALA A 65 0.835 7.827 -6.435 1.00 0.00 C ATOM 924 C ALA A 65 -0.149 8.832 -5.844 1.00 0.00 C ATOM 925 O ALA A 65 -0.027 10.037 -6.064 1.00 0.00 O ATOM 926 CB ALA A 65 0.392 7.410 -7.829 1.00 0.00 C ATOM 0 H ALA A 65 0.866 5.765 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 65 1.810 8.310 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.295 8.294 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.133 6.736 -8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.570 6.901 -7.768 1.00 0.00 H new ATOM 932 N SER A 66 -1.123 8.327 -5.094 1.00 0.00 N ATOM 933 CA SER A 66 -2.131 9.181 -4.475 1.00 0.00 C ATOM 934 C SER A 66 -2.931 8.407 -3.432 1.00 0.00 C ATOM 935 O SER A 66 -2.819 7.186 -3.330 1.00 0.00 O ATOM 936 CB SER A 66 -3.072 9.748 -5.538 1.00 0.00 C ATOM 937 OG SER A 66 -3.469 8.745 -6.457 1.00 0.00 O ATOM 0 H SER A 66 -1.236 7.332 -4.900 1.00 0.00 H new ATOM 0 HA SER A 66 -1.619 10.005 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.953 10.175 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.576 10.559 -6.072 1.00 0.00 H new ATOM 0 HG SER A 66 -3.938 9.159 -7.211 1.00 0.00 H new ATOM 943 N GLN A 67 -3.739 9.128 -2.660 1.00 0.00 N ATOM 944 CA GLN A 67 -4.558 8.510 -1.625 1.00 0.00 C ATOM 945 C GLN A 67 -5.471 7.442 -2.217 1.00 0.00 C ATOM 946 O GLN A 67 -5.474 6.296 -1.769 1.00 0.00 O ATOM 947 CB GLN A 67 -5.393 9.569 -0.904 1.00 0.00 C ATOM 948 CG GLN A 67 -5.525 9.328 0.591 1.00 0.00 C ATOM 949 CD GLN A 67 -6.283 8.054 0.910 1.00 0.00 C ATOM 950 OE1 GLN A 67 -7.514 8.032 0.902 1.00 0.00 O ATOM 951 NE2 GLN A 67 -5.550 6.984 1.195 1.00 0.00 N ATOM 0 H GLN A 67 -3.843 10.140 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.891 8.034 -0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.942 10.548 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.388 9.599 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.531 9.277 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.036 10.175 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.532 7.047 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.005 6.099 1.419 1.00 0.00 H new ATOM 960 N GLU A 68 -6.245 7.828 -3.227 1.00 0.00 N ATOM 961 CA GLU A 68 -7.165 6.903 -3.880 1.00 0.00 C ATOM 962 C GLU A 68 -6.518 5.533 -4.065 1.00 0.00 C ATOM 963 O GLU A 68 -7.152 4.501 -3.841 1.00 0.00 O ATOM 964 CB GLU A 68 -7.603 7.458 -5.237 1.00 0.00 C ATOM 965 CG GLU A 68 -6.456 7.667 -6.209 1.00 0.00 C ATOM 966 CD GLU A 68 -6.685 8.844 -7.139 1.00 0.00 C ATOM 967 OE1 GLU A 68 -7.242 9.863 -6.680 1.00 0.00 O ATOM 968 OE2 GLU A 68 -6.307 8.745 -8.324 1.00 0.00 O ATOM 0 H GLU A 68 -6.253 8.773 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.041 6.790 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.326 6.775 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.115 8.408 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.534 7.826 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.317 6.763 -6.801 1.00 0.00 H new ATOM 975 N ILE A 69 -5.254 5.532 -4.473 1.00 0.00 N ATOM 976 CA ILE A 69 -4.522 4.289 -4.687 1.00 0.00 C ATOM 977 C ILE A 69 -4.096 3.667 -3.362 1.00 0.00 C ATOM 978 O ILE A 69 -4.012 2.445 -3.237 1.00 0.00 O ATOM 979 CB ILE A 69 -3.273 4.515 -5.560 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.670 5.112 -6.912 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.519 3.208 -5.753 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.490 5.424 -7.805 1.00 0.00 C ATOM 0 H ILE A 69 -4.715 6.377 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.199 3.609 -5.204 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.615 5.220 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.331 4.415 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.239 6.026 -6.743 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.639 3.384 -6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.209 2.820 -4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.168 2.482 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.847 5.844 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.839 6.144 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.933 4.509 -8.004 1.00 0.00 H new ATOM 994 N ALA A 70 -3.832 4.516 -2.374 1.00 0.00 N ATOM 995 CA ALA A 70 -3.419 4.049 -1.057 1.00 0.00 C ATOM 996 C ALA A 70 -4.497 3.179 -0.419 1.00 0.00 C ATOM 997 O ALA A 70 -4.197 2.172 0.220 1.00 0.00 O ATOM 998 CB ALA A 70 -3.092 5.231 -0.156 1.00 0.00 C ATOM 0 H ALA A 70 -3.897 5.530 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.523 3.440 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.785 4.867 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.282 5.812 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.974 5.862 -0.049 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.753 3.575 -0.599 1.00 0.00 N ATOM 1005 CA GLU A 71 -6.876 2.831 -0.040 1.00 0.00 C ATOM 1006 C GLU A 71 -7.021 1.472 -0.719 1.00 0.00 C ATOM 1007 O GLU A 71 -7.295 0.465 -0.067 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.173 3.630 -0.191 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.345 4.714 0.860 1.00 0.00 C ATOM 1010 CD GLU A 71 -9.765 4.796 1.386 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.349 3.733 1.683 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.291 5.922 1.500 1.00 0.00 O ATOM 0 H GLU A 71 -6.019 4.406 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.679 2.669 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.195 4.088 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.020 2.946 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.665 4.522 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.063 5.677 0.433 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.835 1.453 -2.034 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.945 0.220 -2.806 1.00 0.00 C ATOM 1021 C LYS A 72 -5.970 -0.833 -2.287 1.00 0.00 C ATOM 1022 O LYS A 72 -6.236 -2.031 -2.369 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.675 0.495 -4.286 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.659 1.467 -4.914 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.717 1.306 -6.423 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.375 1.613 -7.069 1.00 0.00 C ATOM 1027 NZ LYS A 72 -6.435 2.836 -7.918 1.00 0.00 N ATOM 0 H LYS A 72 -6.607 2.278 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.960 -0.162 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.666 0.892 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.708 -0.447 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.651 1.305 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.370 2.489 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.016 0.287 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.479 1.970 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.621 1.746 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.062 0.764 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.545 2.936 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.227 2.756 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.575 3.671 -7.314 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.842 -0.377 -1.753 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.831 -1.280 -1.218 1.00 0.00 C ATOM 1043 C ALA A 73 -4.133 -1.647 0.231 1.00 0.00 C ATOM 1044 O ALA A 73 -3.782 -2.734 0.693 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.450 -0.650 -1.328 1.00 0.00 C ATOM 0 H ALA A 73 -4.605 0.612 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.849 -2.196 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.704 -1.335 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.226 -0.445 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.429 0.282 -0.763 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.785 -0.735 0.944 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.134 -0.962 2.342 1.00 0.00 C ATOM 1053 C LEU A 74 -5.889 -2.278 2.507 1.00 0.00 C ATOM 1054 O LEU A 74 -5.637 -3.037 3.443 1.00 0.00 O ATOM 1055 CB LEU A 74 -5.981 0.196 2.871 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.258 1.202 3.767 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.210 2.303 4.210 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.652 0.502 4.974 1.00 0.00 C ATOM 0 H LEU A 74 -5.083 0.169 0.577 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.210 -1.020 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.399 0.733 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.820 -0.219 3.429 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.451 1.657 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.678 3.010 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.597 2.824 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.038 1.865 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.141 1.233 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.442 0.020 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.938 -0.250 4.638 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.815 -2.542 1.592 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.605 -3.766 1.632 1.00 0.00 C ATOM 1072 C LYS A 75 -6.703 -4.996 1.601 1.00 0.00 C ATOM 1073 O LYS A 75 -7.146 -6.111 1.880 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.582 -3.807 0.456 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.491 -2.593 0.378 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.887 -2.907 0.891 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.875 -1.810 0.526 1.00 0.00 C ATOM 1078 NZ LYS A 75 -11.687 -0.594 1.363 1.00 0.00 N ATOM 0 H LYS A 75 -7.037 -1.923 0.812 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.170 -3.774 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.017 -3.887 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.195 -4.705 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.063 -1.779 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.551 -2.248 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.224 -3.856 0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.859 -3.027 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.756 -1.549 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.892 -2.182 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.379 0.130 1.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.826 -0.837 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.725 -0.224 1.227 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.436 -4.787 1.262 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.471 -5.879 1.196 1.00 0.00 C ATOM 1094 C LYS A 76 -3.821 -6.112 2.556 1.00 0.00 C ATOM 1095 O LYS A 76 -2.628 -6.404 2.644 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.395 -5.573 0.151 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.958 -5.190 -1.206 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.874 -4.660 -2.130 1.00 0.00 C ATOM 1099 CE LYS A 76 -2.108 -5.792 -2.798 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.423 -5.892 -4.250 1.00 0.00 N ATOM 0 H LYS A 76 -5.053 -3.871 1.028 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.003 -6.785 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.766 -4.761 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.753 -6.447 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.433 -6.058 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.732 -4.433 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.323 -4.024 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.183 -4.037 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.038 -5.632 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.351 -6.735 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.882 -6.675 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.440 -6.069 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.167 -5.002 -4.723 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.613 -5.982 3.615 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.115 -6.182 4.972 1.00 0.00 C ATOM 1116 C HIS A 77 -4.040 -7.668 5.310 1.00 0.00 C ATOM 1117 O HIS A 77 -4.776 -8.481 4.751 1.00 0.00 O ATOM 1118 CB HIS A 77 -5.014 -5.464 5.979 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.818 -5.923 7.391 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -3.925 -5.329 8.257 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.408 -6.923 8.087 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -3.971 -5.946 9.425 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -4.865 -6.917 9.348 1.00 0.00 N ATOM 0 H HIS A 77 -5.602 -5.739 3.560 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.110 -5.763 5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.823 -4.392 5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.056 -5.617 5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.165 -7.600 7.719 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.379 -5.699 10.294 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.111 -7.557 10.103 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.143 -8.016 6.227 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.970 -9.403 6.641 1.00 0.00 C ATOM 1133 C LYS A 78 -2.454 -10.255 5.485 1.00 0.00 C ATOM 1134 O LYS A 78 -2.344 -11.475 5.603 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.294 -9.973 7.156 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.344 -10.125 8.666 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.298 -11.110 9.162 1.00 0.00 C ATOM 1138 CE LYS A 78 -3.448 -11.381 10.650 1.00 0.00 C ATOM 1139 NZ LYS A 78 -2.148 -11.741 11.282 1.00 0.00 N ATOM 0 H LYS A 78 -2.524 -7.356 6.698 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.234 -9.427 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.108 -9.322 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.465 -10.946 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.183 -9.155 9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.336 -10.464 8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.387 -12.046 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.302 -10.716 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.858 -10.498 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.162 -12.190 10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.293 -11.918 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.769 -12.598 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.474 -10.958 11.160 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.138 -9.604 4.370 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.633 -10.303 3.194 1.00 0.00 C ATOM 1155 C GLU A 79 -0.219 -10.825 3.438 1.00 0.00 C ATOM 1156 O GLU A 79 0.724 -10.047 3.586 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.643 -9.374 1.978 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.037 -9.070 1.457 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.731 -10.297 0.897 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -3.221 -10.868 -0.090 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -4.784 -10.685 1.444 1.00 0.00 O ATOM 0 H GLU A 79 -2.223 -8.594 4.256 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.287 -11.153 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.151 -8.438 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.057 -9.828 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.639 -8.653 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.972 -8.308 0.681 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.082 -12.146 3.478 1.00 0.00 N ATOM 1169 CA ARG A 80 1.215 -12.772 3.704 1.00 0.00 C ATOM 1170 C ARG A 80 2.019 -12.841 2.410 1.00 0.00 C ATOM 1171 O ARG A 80 1.465 -13.079 1.336 1.00 0.00 O ATOM 1172 CB ARG A 80 1.033 -14.178 4.279 1.00 0.00 C ATOM 1173 CG ARG A 80 0.452 -15.172 3.286 1.00 0.00 C ATOM 1174 CD ARG A 80 1.536 -16.051 2.681 1.00 0.00 C ATOM 1175 NE ARG A 80 0.992 -17.004 1.718 1.00 0.00 N ATOM 1176 CZ ARG A 80 0.741 -16.705 0.448 1.00 0.00 C ATOM 1177 NH1 ARG A 80 0.984 -15.485 -0.009 1.00 0.00 N ATOM 1178 NH2 ARG A 80 0.246 -17.627 -0.368 1.00 0.00 N ATOM 0 H ARG A 80 -0.853 -12.803 3.357 1.00 0.00 H new ATOM 0 HA ARG A 80 1.765 -12.161 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.998 -14.547 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.380 -14.123 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.288 -15.797 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.067 -14.635 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.280 -15.423 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.050 -16.592 3.476 1.00 0.00 H new ATOM 0 HE ARG A 80 0.794 -17.952 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.365 -14.773 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.791 -15.258 -0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.057 -18.567 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.054 -17.395 -1.343 1.00 0.00 H new ATOM 1192 N ILE A 81 3.327 -12.631 2.520 1.00 0.00 N ATOM 1193 CA ILE A 81 4.207 -12.669 1.358 1.00 0.00 C ATOM 1194 C ILE A 81 5.164 -13.854 1.433 1.00 0.00 C ATOM 1195 O ILE A 81 6.274 -13.736 1.951 1.00 0.00 O ATOM 1196 CB ILE A 81 5.024 -11.371 1.228 1.00 0.00 C ATOM 1197 CG1 ILE A 81 4.123 -10.219 0.777 1.00 0.00 C ATOM 1198 CG2 ILE A 81 6.174 -11.564 0.250 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.752 -8.855 0.953 1.00 0.00 C ATOM 0 H ILE A 81 3.800 -12.433 3.402 1.00 0.00 H new ATOM 0 HA ILE A 81 3.568 -12.775 0.481 1.00 0.00 H new ATOM 0 HB ILE A 81 5.440 -11.122 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.866 -10.359 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.191 -10.256 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.742 -10.637 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.827 -12.360 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.778 -11.833 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.057 -8.087 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.983 -8.694 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.670 -8.799 0.367 1.00 0.00 H new ATOM 1211 N GLY A 82 4.726 -14.996 0.911 1.00 0.00 N ATOM 1212 CA GLY A 82 5.558 -16.185 0.926 1.00 0.00 C ATOM 1213 C GLY A 82 5.236 -17.101 2.090 1.00 0.00 C ATOM 1214 O GLY A 82 4.992 -18.294 1.901 1.00 0.00 O ATOM 0 H GLY A 82 3.810 -15.119 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.426 -16.730 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.606 -15.891 0.978 1.00 0.00 H new ATOM 1218 N HIS A 83 5.236 -16.546 3.297 1.00 0.00 N ATOM 1219 CA HIS A 83 4.942 -17.322 4.497 1.00 0.00 C ATOM 1220 C HIS A 83 4.984 -16.437 5.740 1.00 0.00 C ATOM 1221 O HIS A 83 5.515 -16.835 6.778 1.00 0.00 O ATOM 1222 CB HIS A 83 5.939 -18.472 4.642 1.00 0.00 C ATOM 1223 CG HIS A 83 7.355 -18.019 4.826 1.00 0.00 C ATOM 1224 ND1 HIS A 83 7.963 -17.097 4.001 1.00 0.00 N ATOM 1225 CD2 HIS A 83 8.283 -18.367 5.748 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.204 -16.896 4.407 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.423 -17.655 5.466 1.00 0.00 N ATOM 0 H HIS A 83 5.436 -15.561 3.471 1.00 0.00 H new ATOM 0 HA HIS A 83 3.937 -17.732 4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.650 -19.087 5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.881 -19.106 3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.151 -19.073 6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.918 -16.226 3.951 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.297 -17.704 5.989 1.00 0.00 H new ATOM 1235 N ARG A 84 4.422 -15.239 5.626 1.00 0.00 N ATOM 1236 CA ARG A 84 4.397 -14.298 6.740 1.00 0.00 C ATOM 1237 C ARG A 84 3.362 -13.202 6.503 1.00 0.00 C ATOM 1238 O ARG A 84 3.560 -12.319 5.667 1.00 0.00 O ATOM 1239 CB ARG A 84 5.779 -13.675 6.941 1.00 0.00 C ATOM 1240 CG ARG A 84 6.531 -14.232 8.138 1.00 0.00 C ATOM 1241 CD ARG A 84 6.058 -13.599 9.437 1.00 0.00 C ATOM 1242 NE ARG A 84 7.009 -13.807 10.525 1.00 0.00 N ATOM 1243 CZ ARG A 84 6.831 -13.340 11.756 1.00 0.00 C ATOM 1244 NH1 ARG A 84 5.743 -12.643 12.053 1.00 0.00 N ATOM 1245 NH2 ARG A 84 7.742 -13.571 12.693 1.00 0.00 N ATOM 0 H ARG A 84 3.978 -14.896 4.774 1.00 0.00 H new ATOM 0 HA ARG A 84 4.120 -14.847 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.374 -13.835 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.668 -12.597 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.391 -15.312 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.599 -14.054 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.908 -12.530 9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.092 -14.020 9.715 1.00 0.00 H new ATOM 0 HE ARG A 84 7.856 -14.340 10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.040 -12.464 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.609 -12.286 12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.580 -14.108 12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.604 -13.212 13.638 1.00 0.00 H new ATOM 1259 N TYR A 85 2.260 -13.266 7.242 1.00 0.00 N ATOM 1260 CA TYR A 85 1.193 -12.281 7.109 1.00 0.00 C ATOM 1261 C TYR A 85 1.744 -10.863 7.222 1.00 0.00 C ATOM 1262 O TYR A 85 2.624 -10.590 8.040 1.00 0.00 O ATOM 1263 CB TYR A 85 0.123 -12.511 8.178 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.559 -13.856 8.072 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.377 -14.159 6.991 1.00 0.00 C ATOM 1266 CD2 TYR A 85 -0.386 -14.824 9.053 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -2.003 -15.385 6.889 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -1.008 -16.054 8.960 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.815 -16.331 7.877 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.437 -17.555 7.781 1.00 0.00 O ATOM 0 H TYR A 85 2.082 -13.989 7.939 1.00 0.00 H new ATOM 0 HA TYR A 85 0.744 -12.399 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.581 -12.422 9.163 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.628 -11.725 8.103 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.526 -13.422 6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.246 -14.611 9.903 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.636 -15.603 6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.863 -16.795 9.732 1.00 0.00 H new ATOM 0 HH TYR A 85 -2.199 -18.104 8.557 1.00 0.00 H new ATOM 1280 N ILE A 86 1.220 -9.965 6.396 1.00 0.00 N ATOM 1281 CA ILE A 86 1.658 -8.574 6.403 1.00 0.00 C ATOM 1282 C ILE A 86 0.544 -7.649 6.882 1.00 0.00 C ATOM 1283 O ILE A 86 -0.572 -7.688 6.365 1.00 0.00 O ATOM 1284 CB ILE A 86 2.119 -8.121 5.005 1.00 0.00 C ATOM 1285 CG1 ILE A 86 3.038 -9.174 4.382 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.826 -6.777 5.090 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.482 -9.048 4.816 1.00 0.00 C ATOM 0 H ILE A 86 0.492 -10.175 5.713 1.00 0.00 H new ATOM 0 HA ILE A 86 2.500 -8.513 7.092 1.00 0.00 H new ATOM 0 HB ILE A 86 1.242 -8.008 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.673 -10.166 4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.985 -9.094 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.146 -6.470 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.143 -6.032 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.697 -6.864 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.075 -9.826 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.865 -8.069 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.547 -9.158 5.898 1.00 0.00 H new ATOM 1299 N GLU A 87 0.856 -6.819 7.873 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.120 -5.884 8.421 1.00 0.00 C ATOM 1301 C GLU A 87 0.089 -4.485 7.851 1.00 0.00 C ATOM 1302 O GLU A 87 1.128 -3.862 8.071 1.00 0.00 O ATOM 1303 CB GLU A 87 -0.021 -5.845 9.947 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.648 -7.051 10.629 1.00 0.00 C ATOM 1305 CD GLU A 87 0.196 -7.577 11.773 1.00 0.00 C ATOM 1306 OE1 GLU A 87 1.250 -8.189 11.500 1.00 0.00 O ATOM 1307 OE2 GLU A 87 -0.199 -7.380 12.940 1.00 0.00 O ATOM 0 H GLU A 87 1.776 -6.775 8.312 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.115 -6.229 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.029 -5.781 10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.506 -4.939 10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.634 -6.779 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.794 -7.844 9.895 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.907 -3.996 7.118 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.832 -2.670 6.517 1.00 0.00 C ATOM 1316 C ILE A 88 -1.667 -1.663 7.302 1.00 0.00 C ATOM 1317 O ILE A 88 -2.804 -1.944 7.681 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.313 -2.687 5.055 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.359 -3.515 4.191 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.427 -1.268 4.517 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.059 -4.322 3.119 1.00 0.00 C ATOM 0 H ILE A 88 -1.774 -4.498 6.927 1.00 0.00 H new ATOM 0 HA ILE A 88 0.216 -2.370 6.543 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.300 -3.148 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.362 -2.848 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.205 -4.191 4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.768 -1.298 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.142 -0.707 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.453 -0.782 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.321 -4.883 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.760 -5.015 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.601 -3.650 2.453 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.094 -0.489 7.542 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.785 0.562 8.282 1.00 0.00 C ATOM 1335 C PHE A 89 -1.493 1.933 7.680 1.00 0.00 C ATOM 1336 O PHE A 89 -0.341 2.363 7.614 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.366 0.538 9.754 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.681 -0.757 10.446 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -2.994 -1.176 10.596 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.665 -1.554 10.948 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.286 -2.367 11.233 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -0.953 -2.747 11.584 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.264 -3.153 11.728 1.00 0.00 C ATOM 0 H PHE A 89 -0.153 -0.241 7.235 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.857 0.376 8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.294 0.725 9.821 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.866 1.352 10.279 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.797 -0.565 10.211 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.363 -1.240 10.841 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.313 -2.683 11.344 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.152 -3.361 11.968 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.490 -4.084 12.227 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.544 2.616 7.242 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.403 3.939 6.645 1.00 0.00 C ATOM 1355 C LYS A 90 -1.312 4.740 7.349 1.00 0.00 C ATOM 1356 O LYS A 90 -1.260 4.789 8.577 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.732 4.697 6.716 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.254 5.135 5.358 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.433 6.280 4.788 1.00 0.00 C ATOM 1360 CE LYS A 90 -4.130 6.929 3.603 1.00 0.00 C ATOM 1361 NZ LYS A 90 -4.403 8.374 3.843 1.00 0.00 N ATOM 0 H LYS A 90 -3.504 2.275 7.289 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.119 3.811 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.478 4.063 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.607 5.576 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.231 4.291 4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.296 5.443 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.260 7.026 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.456 5.910 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.511 6.819 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.068 6.410 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.219 8.673 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.612 8.525 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.569 8.934 3.575 1.00 0.00 H new ATOM 1375 N SER A 91 -0.444 5.366 6.561 1.00 0.00 N ATOM 1376 CA SER A 91 0.648 6.163 7.110 1.00 0.00 C ATOM 1377 C SER A 91 0.733 7.519 6.415 1.00 0.00 C ATOM 1378 O SER A 91 0.048 7.764 5.422 1.00 0.00 O ATOM 1379 CB SER A 91 1.975 5.418 6.962 1.00 0.00 C ATOM 1380 OG SER A 91 3.075 6.303 7.089 1.00 0.00 O ATOM 0 H SER A 91 -0.475 5.337 5.542 1.00 0.00 H new ATOM 0 HA SER A 91 0.448 6.328 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.043 4.637 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.012 4.924 5.991 1.00 0.00 H new ATOM 0 HG SER A 91 3.841 5.821 7.465 1.00 0.00 H new ATOM 1386 N SER A 92 1.579 8.396 6.946 1.00 0.00 N ATOM 1387 CA SER A 92 1.752 9.729 6.380 1.00 0.00 C ATOM 1388 C SER A 92 3.232 10.063 6.221 1.00 0.00 C ATOM 1389 O SER A 92 4.049 9.737 7.081 1.00 0.00 O ATOM 1390 CB SER A 92 1.074 10.775 7.268 1.00 0.00 C ATOM 1391 OG SER A 92 -0.308 10.499 7.417 1.00 0.00 O ATOM 0 H SER A 92 2.155 8.208 7.767 1.00 0.00 H new ATOM 0 HA SER A 92 1.286 9.742 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.553 10.791 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.205 11.766 6.833 1.00 0.00 H new ATOM 0 HG SER A 92 -0.718 11.180 7.990 1.00 0.00 H new ATOM 1397 N ARG A 93 3.568 10.717 5.113 1.00 0.00 N ATOM 1398 CA ARG A 93 4.949 11.095 4.838 1.00 0.00 C ATOM 1399 C ARG A 93 5.598 11.714 6.073 1.00 0.00 C ATOM 1400 O ARG A 93 6.795 11.546 6.307 1.00 0.00 O ATOM 1401 CB ARG A 93 5.008 12.080 3.669 1.00 0.00 C ATOM 1402 CG ARG A 93 6.417 12.531 3.323 1.00 0.00 C ATOM 1403 CD ARG A 93 6.685 12.426 1.830 1.00 0.00 C ATOM 1404 NE ARG A 93 7.340 13.620 1.306 1.00 0.00 N ATOM 1405 CZ ARG A 93 8.556 14.013 1.673 1.00 0.00 C ATOM 1406 NH1 ARG A 93 9.244 13.308 2.560 1.00 0.00 N ATOM 1407 NH2 ARG A 93 9.085 15.112 1.151 1.00 0.00 N ATOM 0 H ARG A 93 2.903 10.996 4.392 1.00 0.00 H new ATOM 0 HA ARG A 93 5.501 10.193 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.558 11.616 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.405 12.955 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.560 13.562 3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.139 11.922 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.310 11.555 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.744 12.268 1.303 1.00 0.00 H new ATOM 0 HE ARG A 93 6.837 14.184 0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.841 12.462 2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.177 13.612 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.559 15.656 0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.018 15.413 1.433 1.00 0.00 H new