USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 696 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 55 SER OG : rot -179:sc=0.000209 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-5.4!) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.0036 X(o=-0.0036,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -142:sc= -0.0309 (180deg=-1.5!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 149:sc= -2.87 USER MOD Single : A 29 SER OG : rot 28:sc= 0.347 USER MOD Single : A 30 MET CE :methyl 155:sc= -0.335 (180deg=-1.63!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.356 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.75! C(o=-2.7!,f=-2.5!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0744 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.021) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 63:sc= 0.0363 USER MOD Single : A 92 TYR OH : rot 130:sc= 0 USER MOD Single : A 100 THR OG1 : rot 23:sc= 0.579 USER MOD Single : A 108 SER OG : rot -104:sc= 0.547 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 171:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 6.517 -12.223 -6.341 1.00 0.00 N ATOM 215 CA PRO A 18 5.446 -12.736 -5.481 1.00 0.00 C ATOM 216 C PRO A 18 4.062 -12.498 -6.075 1.00 0.00 C ATOM 217 O PRO A 18 3.883 -11.629 -6.928 1.00 0.00 O ATOM 218 CB PRO A 18 5.617 -11.938 -4.186 1.00 0.00 C ATOM 219 CG PRO A 18 6.290 -10.676 -4.605 1.00 0.00 C ATOM 220 CD PRO A 18 7.182 -11.046 -5.757 1.00 0.00 C ATOM 0 HA PRO A 18 5.515 -13.815 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.655 -11.736 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.218 -12.485 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.559 -9.924 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.868 -10.251 -3.785 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.265 -10.233 -6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.193 -11.280 -5.423 1.00 0.00 H new ATOM 228 N SER A 19 3.085 -13.276 -5.618 1.00 0.00 N ATOM 229 CA SER A 19 1.717 -13.151 -6.107 1.00 0.00 C ATOM 230 C SER A 19 0.848 -12.401 -5.102 1.00 0.00 C ATOM 231 O SER A 19 0.443 -11.264 -5.343 1.00 0.00 O ATOM 232 CB SER A 19 1.123 -14.534 -6.379 1.00 0.00 C ATOM 233 OG SER A 19 0.165 -14.481 -7.423 1.00 0.00 O ATOM 0 H SER A 19 3.216 -13.999 -4.910 1.00 0.00 H new ATOM 0 HA SER A 19 1.740 -12.583 -7.037 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.919 -15.229 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.656 -14.918 -5.472 1.00 0.00 H new ATOM 0 HG SER A 19 -0.199 -15.378 -7.579 1.00 0.00 H new ATOM 239 N ALA A 20 0.565 -13.046 -3.975 1.00 0.00 N ATOM 240 CA ALA A 20 -0.254 -12.440 -2.933 1.00 0.00 C ATOM 241 C ALA A 20 0.447 -11.236 -2.314 1.00 0.00 C ATOM 242 O ALA A 20 -0.007 -10.097 -2.426 1.00 0.00 O ATOM 243 CB ALA A 20 -0.589 -13.467 -1.861 1.00 0.00 C ATOM 0 H ALA A 20 0.891 -13.988 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.180 -12.092 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.201 -13.001 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.139 -14.295 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.333 -13.842 -1.416 1.00 0.00 H new ATOM 249 N PRO A 21 1.581 -11.490 -1.644 1.00 0.00 N ATOM 250 CA PRO A 21 2.369 -10.439 -0.994 1.00 0.00 C ATOM 251 C PRO A 21 3.054 -9.521 -2.000 1.00 0.00 C ATOM 252 O PRO A 21 3.494 -9.950 -3.068 1.00 0.00 O ATOM 253 CB PRO A 21 3.409 -11.222 -0.189 1.00 0.00 C ATOM 254 CG PRO A 21 3.541 -12.522 -0.904 1.00 0.00 C ATOM 255 CD PRO A 21 2.181 -12.823 -1.470 1.00 0.00 C ATOM 0 HA PRO A 21 1.748 -9.781 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.361 -10.693 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.084 -11.368 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.288 -12.458 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.864 -13.310 -0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.249 -13.359 -2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.593 -13.443 -0.794 1.00 0.00 H new ATOM 263 N PRO A 22 3.150 -8.229 -1.655 1.00 0.00 N ATOM 264 CA PRO A 22 2.630 -7.708 -0.388 1.00 0.00 C ATOM 265 C PRO A 22 1.106 -7.709 -0.342 1.00 0.00 C ATOM 266 O PRO A 22 0.446 -7.398 -1.333 1.00 0.00 O ATOM 267 CB PRO A 22 3.165 -6.274 -0.347 1.00 0.00 C ATOM 268 CG PRO A 22 3.372 -5.907 -1.776 1.00 0.00 C ATOM 269 CD PRO A 22 3.772 -7.176 -2.476 1.00 0.00 C ATOM 0 HA PRO A 22 2.940 -8.318 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.457 -5.601 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.096 -6.215 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.461 -5.493 -2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.146 -5.146 -1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.408 -7.200 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.855 -7.287 -2.519 1.00 0.00 H new ATOM 277 N GLN A 23 0.553 -8.059 0.815 1.00 0.00 N ATOM 278 CA GLN A 23 -0.894 -8.101 0.989 1.00 0.00 C ATOM 279 C GLN A 23 -1.305 -7.431 2.296 1.00 0.00 C ATOM 280 O GLN A 23 -0.471 -6.869 3.007 1.00 0.00 O ATOM 281 CB GLN A 23 -1.390 -9.547 0.965 1.00 0.00 C ATOM 282 CG GLN A 23 -0.593 -10.479 1.863 1.00 0.00 C ATOM 283 CD GLN A 23 -1.109 -11.904 1.830 1.00 0.00 C ATOM 284 OE1 GLN A 23 -2.254 -12.171 2.198 1.00 0.00 O ATOM 285 NE2 GLN A 23 -0.265 -12.830 1.389 1.00 0.00 N ATOM 0 H GLN A 23 1.085 -8.318 1.646 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.350 -7.555 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.436 -9.569 1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.349 -9.919 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.453 -10.468 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.627 -10.108 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.675 -12.565 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.557 -13.806 1.345 1.00 0.00 H new ATOM 294 N LYS A 24 -2.595 -7.494 2.608 1.00 0.00 N ATOM 295 CA LYS A 24 -3.117 -6.895 3.830 1.00 0.00 C ATOM 296 C LYS A 24 -2.686 -5.437 3.948 1.00 0.00 C ATOM 297 O LYS A 24 -2.534 -4.912 5.052 1.00 0.00 O ATOM 298 CB LYS A 24 -2.638 -7.681 5.053 1.00 0.00 C ATOM 299 CG LYS A 24 -2.908 -9.173 4.961 1.00 0.00 C ATOM 300 CD LYS A 24 -2.355 -9.915 6.166 1.00 0.00 C ATOM 301 CE LYS A 24 -2.200 -11.401 5.883 1.00 0.00 C ATOM 302 NZ LYS A 24 -1.386 -12.083 6.927 1.00 0.00 N ATOM 0 H LYS A 24 -3.299 -7.954 2.031 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.206 -6.931 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.567 -7.521 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.128 -7.286 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.982 -9.346 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.459 -9.570 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.388 -9.493 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.020 -9.773 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.185 -11.865 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.730 -11.538 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.780 -12.801 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.792 -11.383 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.017 -12.542 7.615 1.00 0.00 H new ATOM 316 N VAL A 25 -2.493 -4.787 2.805 1.00 0.00 N ATOM 317 CA VAL A 25 -2.082 -3.388 2.782 1.00 0.00 C ATOM 318 C VAL A 25 -3.168 -2.487 3.358 1.00 0.00 C ATOM 319 O VAL A 25 -4.230 -2.317 2.760 1.00 0.00 O ATOM 320 CB VAL A 25 -1.752 -2.925 1.350 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.395 -1.446 1.337 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.621 -3.760 0.768 1.00 0.00 C ATOM 0 H VAL A 25 -2.615 -5.206 1.883 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.186 -3.310 3.397 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.635 -3.067 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.165 -1.136 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.238 -0.865 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.526 -1.276 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.401 -3.420 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.268 -3.651 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.919 -4.808 0.741 1.00 0.00 H new ATOM 332 N MET A 26 -2.893 -1.910 4.523 1.00 0.00 N ATOM 333 CA MET A 26 -3.846 -1.023 5.180 1.00 0.00 C ATOM 334 C MET A 26 -3.290 0.393 5.284 1.00 0.00 C ATOM 335 O MET A 26 -2.319 0.638 6.001 1.00 0.00 O ATOM 336 CB MET A 26 -4.190 -1.552 6.574 1.00 0.00 C ATOM 337 CG MET A 26 -5.039 -2.812 6.554 1.00 0.00 C ATOM 338 SD MET A 26 -6.805 -2.459 6.470 1.00 0.00 S ATOM 339 CE MET A 26 -7.445 -4.051 5.954 1.00 0.00 C ATOM 0 H MET A 26 -2.018 -2.041 5.031 1.00 0.00 H new ATOM 0 HA MET A 26 -4.753 -0.994 4.576 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.266 -1.755 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.719 -0.776 7.128 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.754 -3.424 5.698 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.832 -3.399 7.449 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.529 -3.993 5.858 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.009 -4.324 4.993 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.186 -4.805 6.697 1.00 0.00 H new ATOM 349 N CYS A 27 -3.909 1.322 4.564 1.00 0.00 N ATOM 350 CA CYS A 27 -3.474 2.714 4.574 1.00 0.00 C ATOM 351 C CYS A 27 -4.361 3.554 5.488 1.00 0.00 C ATOM 352 O CYS A 27 -5.571 3.341 5.564 1.00 0.00 O ATOM 353 CB CYS A 27 -3.495 3.287 3.156 1.00 0.00 C ATOM 354 SG CYS A 27 -2.576 2.304 1.949 1.00 0.00 S ATOM 0 H CYS A 27 -4.714 1.136 3.966 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.454 2.747 4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.530 3.373 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.082 4.296 3.177 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.133 2.421 0.780 1.00 0.00 H new ATOM 360 N VAL A 28 -3.750 4.509 6.182 1.00 0.00 N ATOM 361 CA VAL A 28 -4.483 5.380 7.092 1.00 0.00 C ATOM 362 C VAL A 28 -3.941 6.805 7.044 1.00 0.00 C ATOM 363 O VAL A 28 -2.729 7.019 7.027 1.00 0.00 O ATOM 364 CB VAL A 28 -4.413 4.865 8.542 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.171 3.554 8.680 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.965 4.702 8.979 1.00 0.00 C ATOM 0 H VAL A 28 -2.749 4.699 6.131 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.522 5.377 6.764 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.885 5.600 9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.110 3.206 9.711 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.216 3.708 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.731 2.808 8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.934 4.337 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.466 3.987 8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.457 5.664 8.920 1.00 0.00 H new ATOM 376 N SER A 29 -4.848 7.776 7.024 1.00 0.00 N ATOM 377 CA SER A 29 -4.462 9.182 6.974 1.00 0.00 C ATOM 378 C SER A 29 -3.905 9.640 8.319 1.00 0.00 C ATOM 379 O SER A 29 -4.612 9.645 9.326 1.00 0.00 O ATOM 380 CB SER A 29 -5.661 10.048 6.584 1.00 0.00 C ATOM 381 OG SER A 29 -6.726 9.891 7.506 1.00 0.00 O ATOM 0 H SER A 29 -5.855 7.615 7.042 1.00 0.00 H new ATOM 0 HA SER A 29 -3.682 9.293 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.360 11.095 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.999 9.777 5.584 1.00 0.00 H new ATOM 0 HG SER A 29 -6.365 9.647 8.384 1.00 0.00 H new ATOM 387 N MET A 30 -2.633 10.023 8.326 1.00 0.00 N ATOM 388 CA MET A 30 -1.981 10.484 9.546 1.00 0.00 C ATOM 389 C MET A 30 -2.558 11.822 9.999 1.00 0.00 C ATOM 390 O MET A 30 -2.938 11.984 11.157 1.00 0.00 O ATOM 391 CB MET A 30 -0.472 10.614 9.325 1.00 0.00 C ATOM 392 CG MET A 30 0.232 9.280 9.136 1.00 0.00 C ATOM 393 SD MET A 30 0.760 8.547 10.696 1.00 0.00 S ATOM 394 CE MET A 30 -0.657 7.524 11.087 1.00 0.00 C ATOM 0 H MET A 30 -2.033 10.023 7.501 1.00 0.00 H new ATOM 0 HA MET A 30 -2.164 9.747 10.327 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.294 11.237 8.448 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.031 11.130 10.178 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.437 8.590 8.623 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.100 9.420 8.492 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.346 6.702 11.732 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.408 8.124 11.601 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.081 7.123 10.167 1.00 0.00 H new ATOM 404 N GLY A 31 -2.619 12.778 9.077 1.00 0.00 N ATOM 405 CA GLY A 31 -3.150 14.088 9.401 1.00 0.00 C ATOM 406 C GLY A 31 -3.935 14.696 8.255 1.00 0.00 C ATOM 407 O GLY A 31 -5.038 14.248 7.944 1.00 0.00 O ATOM 0 H GLY A 31 -2.310 12.668 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.794 14.009 10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.329 14.753 9.668 1.00 0.00 H new ATOM 411 N SER A 32 -3.366 15.720 7.628 1.00 0.00 N ATOM 412 CA SER A 32 -4.022 16.394 6.513 1.00 0.00 C ATOM 413 C SER A 32 -3.191 16.273 5.240 1.00 0.00 C ATOM 414 O SER A 32 -3.731 16.137 4.141 1.00 0.00 O ATOM 415 CB SER A 32 -4.254 17.869 6.847 1.00 0.00 C ATOM 416 OG SER A 32 -4.849 18.015 8.125 1.00 0.00 O ATOM 0 H SER A 32 -2.452 16.101 7.873 1.00 0.00 H new ATOM 0 HA SER A 32 -4.985 15.911 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.305 18.405 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.896 18.320 6.090 1.00 0.00 H new ATOM 0 HG SER A 32 -4.985 18.967 8.316 1.00 0.00 H new ATOM 422 N THR A 33 -1.871 16.325 5.395 1.00 0.00 N ATOM 423 CA THR A 33 -0.963 16.223 4.259 1.00 0.00 C ATOM 424 C THR A 33 0.019 15.072 4.442 1.00 0.00 C ATOM 425 O THR A 33 1.054 15.014 3.777 1.00 0.00 O ATOM 426 CB THR A 33 -0.174 17.530 4.052 1.00 0.00 C ATOM 427 OG1 THR A 33 0.622 17.810 5.209 1.00 0.00 O ATOM 428 CG2 THR A 33 -1.115 18.694 3.784 1.00 0.00 C ATOM 0 H THR A 33 -1.407 16.437 6.297 1.00 0.00 H new ATOM 0 HA THR A 33 -1.577 16.035 3.378 1.00 0.00 H new ATOM 0 HB THR A 33 0.476 17.403 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.122 18.641 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.535 19.606 3.641 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.698 18.491 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.787 18.821 4.632 1.00 0.00 H new ATOM 436 N THR A 34 -0.310 14.157 5.348 1.00 0.00 N ATOM 437 CA THR A 34 0.544 13.008 5.619 1.00 0.00 C ATOM 438 C THR A 34 -0.277 11.728 5.735 1.00 0.00 C ATOM 439 O THR A 34 -1.333 11.711 6.367 1.00 0.00 O ATOM 440 CB THR A 34 1.355 13.203 6.914 1.00 0.00 C ATOM 441 OG1 THR A 34 2.150 14.390 6.820 1.00 0.00 O ATOM 442 CG2 THR A 34 2.254 12.004 7.176 1.00 0.00 C ATOM 0 H THR A 34 -1.163 14.190 5.907 1.00 0.00 H new ATOM 0 HA THR A 34 1.232 12.921 4.778 1.00 0.00 H new ATOM 0 HB THR A 34 0.655 13.300 7.744 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.661 14.508 7.648 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.817 12.165 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.644 11.107 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.947 11.880 6.344 1.00 0.00 H new ATOM 450 N VAL A 35 0.216 10.657 5.122 1.00 0.00 N ATOM 451 CA VAL A 35 -0.471 9.371 5.158 1.00 0.00 C ATOM 452 C VAL A 35 0.480 8.251 5.563 1.00 0.00 C ATOM 453 O VAL A 35 1.682 8.318 5.303 1.00 0.00 O ATOM 454 CB VAL A 35 -1.096 9.031 3.792 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.827 7.699 3.856 1.00 0.00 C ATOM 456 CG2 VAL A 35 -2.033 10.142 3.343 1.00 0.00 C ATOM 0 H VAL A 35 1.089 10.654 4.594 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.264 9.456 5.901 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.295 8.944 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.262 7.476 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.125 6.911 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.619 7.754 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.465 9.885 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.830 10.264 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.476 11.075 3.255 1.00 0.00 H new ATOM 466 N ARG A 36 -0.066 7.221 6.202 1.00 0.00 N ATOM 467 CA ARG A 36 0.735 6.086 6.644 1.00 0.00 C ATOM 468 C ARG A 36 0.198 4.782 6.060 1.00 0.00 C ATOM 469 O ARG A 36 -0.911 4.356 6.382 1.00 0.00 O ATOM 470 CB ARG A 36 0.745 6.006 8.172 1.00 0.00 C ATOM 471 CG ARG A 36 1.941 5.255 8.734 1.00 0.00 C ATOM 472 CD ARG A 36 1.631 4.653 10.095 1.00 0.00 C ATOM 473 NE ARG A 36 0.659 3.566 10.004 1.00 0.00 N ATOM 474 CZ ARG A 36 0.519 2.626 10.932 1.00 0.00 C ATOM 475 NH1 ARG A 36 1.282 2.641 12.016 1.00 0.00 N ATOM 476 NH2 ARG A 36 -0.388 1.670 10.778 1.00 0.00 N ATOM 0 H ARG A 36 -1.059 7.149 6.425 1.00 0.00 H new ATOM 0 HA ARG A 36 1.755 6.232 6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.736 7.017 8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.170 5.519 8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.233 4.464 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.790 5.933 8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.551 4.280 10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.246 5.430 10.756 1.00 0.00 H new ATOM 0 HE ARG A 36 0.055 3.527 9.183 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.979 3.376 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.172 1.918 12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.979 1.656 9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.495 0.949 11.491 1.00 0.00 H new ATOM 490 N VAL A 37 0.993 4.153 5.200 1.00 0.00 N ATOM 491 CA VAL A 37 0.598 2.898 4.571 1.00 0.00 C ATOM 492 C VAL A 37 1.463 1.743 5.062 1.00 0.00 C ATOM 493 O VAL A 37 2.690 1.836 5.080 1.00 0.00 O ATOM 494 CB VAL A 37 0.697 2.984 3.037 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.999 3.651 2.621 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.577 1.600 2.417 1.00 0.00 C ATOM 0 H VAL A 37 1.914 4.492 4.923 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.440 2.716 4.850 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.129 3.595 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.050 3.702 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.040 4.659 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.842 3.070 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.649 1.680 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.381 0.964 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.385 1.163 2.686 1.00 0.00 H new ATOM 506 N SER A 38 0.814 0.652 5.458 1.00 0.00 N ATOM 507 CA SER A 38 1.524 -0.522 5.952 1.00 0.00 C ATOM 508 C SER A 38 0.977 -1.796 5.314 1.00 0.00 C ATOM 509 O SER A 38 -0.182 -1.848 4.903 1.00 0.00 O ATOM 510 CB SER A 38 1.407 -0.611 7.475 1.00 0.00 C ATOM 511 OG SER A 38 0.060 -0.797 7.874 1.00 0.00 O ATOM 0 H SER A 38 -0.202 0.557 5.446 1.00 0.00 H new ATOM 0 HA SER A 38 2.575 -0.422 5.680 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.015 -1.438 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.801 0.299 7.927 1.00 0.00 H new ATOM 0 HG SER A 38 0.013 -0.852 8.851 1.00 0.00 H new ATOM 517 N TRP A 39 1.820 -2.819 5.236 1.00 0.00 N ATOM 518 CA TRP A 39 1.423 -4.093 4.647 1.00 0.00 C ATOM 519 C TRP A 39 2.004 -5.261 5.436 1.00 0.00 C ATOM 520 O TRP A 39 3.000 -5.111 6.144 1.00 0.00 O ATOM 521 CB TRP A 39 1.878 -4.169 3.189 1.00 0.00 C ATOM 522 CG TRP A 39 3.298 -3.734 2.986 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.378 -4.540 2.765 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.791 -2.390 2.988 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.513 -3.778 2.629 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.180 -2.456 2.761 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.195 -1.138 3.158 1.00 0.00 C ATOM 528 CZ2 TRP A 39 5.979 -1.317 2.701 1.00 0.00 C ATOM 529 CZ3 TRP A 39 3.990 -0.008 3.098 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.369 -0.104 2.871 1.00 0.00 C ATOM 0 H TRP A 39 2.782 -2.792 5.573 1.00 0.00 H new ATOM 0 HA TRP A 39 0.336 -4.159 4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.765 -5.193 2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.224 -3.546 2.579 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.345 -5.618 2.706 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.452 -4.138 2.457 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.133 -1.054 3.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.042 -1.389 2.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.540 0.965 3.228 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.963 0.797 2.829 1.00 0.00 H new ATOM 541 N VAL A 40 1.377 -6.426 5.308 1.00 0.00 N ATOM 542 CA VAL A 40 1.834 -7.621 6.008 1.00 0.00 C ATOM 543 C VAL A 40 3.346 -7.781 5.894 1.00 0.00 C ATOM 544 O VAL A 40 3.928 -7.663 4.815 1.00 0.00 O ATOM 545 CB VAL A 40 1.152 -8.888 5.458 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.700 -9.236 4.083 1.00 0.00 C ATOM 547 CG2 VAL A 40 1.333 -10.051 6.423 1.00 0.00 C ATOM 0 H VAL A 40 0.551 -6.568 4.726 1.00 0.00 H new ATOM 0 HA VAL A 40 1.563 -7.497 7.056 1.00 0.00 H new ATOM 0 HB VAL A 40 0.085 -8.691 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.206 -10.134 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.514 -8.409 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.773 -9.415 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.845 -10.938 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.396 -10.251 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.887 -9.798 7.385 1.00 0.00 H new ATOM 656 N ASN A 48 7.648 -16.563 -0.558 1.00 0.00 N ATOM 657 CA ASN A 48 7.804 -16.473 -2.005 1.00 0.00 C ATOM 658 C ASN A 48 9.275 -16.338 -2.386 1.00 0.00 C ATOM 659 O ASN A 48 9.759 -17.023 -3.287 1.00 0.00 O ATOM 660 CB ASN A 48 7.013 -15.282 -2.550 1.00 0.00 C ATOM 661 CG ASN A 48 6.658 -15.446 -4.016 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.486 -15.214 -4.896 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.421 -15.848 -4.283 1.00 0.00 N ATOM 0 HA ASN A 48 7.416 -17.391 -2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.099 -15.160 -1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.597 -14.371 -2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.124 -15.976 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.768 -16.029 -3.521 1.00 0.00 H new ATOM 670 N GLY A 49 9.982 -15.450 -1.694 1.00 0.00 N ATOM 671 CA GLY A 49 11.390 -15.242 -1.974 1.00 0.00 C ATOM 672 C GLY A 49 12.047 -14.305 -0.979 1.00 0.00 C ATOM 673 O GLY A 49 11.631 -14.225 0.177 1.00 0.00 O ATOM 0 H GLY A 49 9.604 -14.871 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.906 -16.202 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.501 -14.836 -2.979 1.00 0.00 H new ATOM 677 N VAL A 50 13.078 -13.596 -1.428 1.00 0.00 N ATOM 678 CA VAL A 50 13.794 -12.661 -0.568 1.00 0.00 C ATOM 679 C VAL A 50 13.571 -11.221 -1.016 1.00 0.00 C ATOM 680 O VAL A 50 13.990 -10.827 -2.105 1.00 0.00 O ATOM 681 CB VAL A 50 15.306 -12.955 -0.557 1.00 0.00 C ATOM 682 CG1 VAL A 50 16.037 -11.959 0.330 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.568 -14.382 -0.099 1.00 0.00 C ATOM 0 H VAL A 50 13.436 -13.651 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 50 13.398 -12.790 0.439 1.00 0.00 H new ATOM 0 HB VAL A 50 15.687 -12.848 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 50 17.104 -12.182 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.876 -10.949 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.656 -12.031 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.641 -14.572 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.174 -14.519 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.077 -15.078 -0.779 1.00 0.00 H new ATOM 693 N ILE A 51 12.909 -10.440 -0.170 1.00 0.00 N ATOM 694 CA ILE A 51 12.631 -9.043 -0.478 1.00 0.00 C ATOM 695 C ILE A 51 13.880 -8.184 -0.310 1.00 0.00 C ATOM 696 O ILE A 51 14.509 -8.183 0.748 1.00 0.00 O ATOM 697 CB ILE A 51 11.511 -8.480 0.417 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.265 -9.364 0.328 1.00 0.00 C ATOM 699 CG2 ILE A 51 11.182 -7.050 0.018 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.732 -9.517 -1.079 1.00 0.00 C ATOM 0 H ILE A 51 12.555 -10.751 0.735 1.00 0.00 H new ATOM 0 HA ILE A 51 12.306 -9.009 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 51 11.859 -8.477 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.500 -10.350 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.484 -8.941 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.389 -6.667 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.070 -6.428 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.851 -7.029 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.849 -10.156 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.465 -8.537 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.497 -9.968 -1.711 1.00 0.00 H new ATOM 712 N THR A 52 14.234 -7.452 -1.362 1.00 0.00 N ATOM 713 CA THR A 52 15.407 -6.587 -1.332 1.00 0.00 C ATOM 714 C THR A 52 15.026 -5.155 -0.973 1.00 0.00 C ATOM 715 O THR A 52 15.837 -4.406 -0.431 1.00 0.00 O ATOM 716 CB THR A 52 16.140 -6.588 -2.686 1.00 0.00 C ATOM 717 OG1 THR A 52 17.248 -5.682 -2.644 1.00 0.00 O ATOM 718 CG2 THR A 52 15.197 -6.191 -3.812 1.00 0.00 C ATOM 0 H THR A 52 13.725 -7.441 -2.246 1.00 0.00 H new ATOM 0 HA THR A 52 16.073 -6.985 -0.567 1.00 0.00 H new ATOM 0 HB THR A 52 16.504 -7.598 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.710 -5.690 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 52 15.737 -6.199 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.370 -6.899 -3.860 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.808 -5.190 -3.625 1.00 0.00 H new ATOM 726 N GLN A 53 13.787 -4.783 -1.279 1.00 0.00 N ATOM 727 CA GLN A 53 13.300 -3.440 -0.989 1.00 0.00 C ATOM 728 C GLN A 53 11.812 -3.321 -1.303 1.00 0.00 C ATOM 729 O GLN A 53 11.231 -4.197 -1.943 1.00 0.00 O ATOM 730 CB GLN A 53 14.087 -2.404 -1.793 1.00 0.00 C ATOM 731 CG GLN A 53 13.841 -2.481 -3.291 1.00 0.00 C ATOM 732 CD GLN A 53 14.158 -1.181 -4.002 1.00 0.00 C ATOM 733 OE1 GLN A 53 13.360 -0.685 -4.799 1.00 0.00 O ATOM 734 NE2 GLN A 53 15.327 -0.619 -3.717 1.00 0.00 N ATOM 0 H GLN A 53 13.103 -5.392 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 53 13.445 -3.250 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.824 -1.407 -1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.151 -2.539 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.449 -3.280 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.799 -2.744 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.958 -1.064 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.594 0.258 -4.165 1.00 0.00 H new ATOM 743 N TYR A 54 11.202 -2.233 -0.847 1.00 0.00 N ATOM 744 CA TYR A 54 9.781 -2.001 -1.077 1.00 0.00 C ATOM 745 C TYR A 54 9.552 -0.657 -1.761 1.00 0.00 C ATOM 746 O TYR A 54 10.201 0.337 -1.434 1.00 0.00 O ATOM 747 CB TYR A 54 9.015 -2.049 0.246 1.00 0.00 C ATOM 748 CG TYR A 54 8.740 -3.453 0.736 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.677 -4.191 0.230 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.543 -4.042 1.705 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.422 -5.474 0.674 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.296 -5.324 2.154 1.00 0.00 C ATOM 753 CZ TYR A 54 8.234 -6.036 1.636 1.00 0.00 C ATOM 754 OH TYR A 54 7.984 -7.314 2.083 1.00 0.00 O ATOM 0 H TYR A 54 11.669 -1.498 -0.316 1.00 0.00 H new ATOM 0 HA TYR A 54 9.412 -2.789 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.584 -1.513 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.068 -1.523 0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.039 -3.754 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.375 -3.487 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.591 -6.034 0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.931 -5.767 2.907 1.00 0.00 H new ATOM 0 HH TYR A 54 8.649 -7.560 2.760 1.00 0.00 H new ATOM 764 N SER A 55 8.624 -0.635 -2.713 1.00 0.00 N ATOM 765 CA SER A 55 8.311 0.586 -3.446 1.00 0.00 C ATOM 766 C SER A 55 6.943 1.127 -3.042 1.00 0.00 C ATOM 767 O SER A 55 6.040 0.366 -2.691 1.00 0.00 O ATOM 768 CB SER A 55 8.342 0.322 -4.953 1.00 0.00 C ATOM 769 OG SER A 55 9.662 0.414 -5.459 1.00 0.00 O ATOM 0 H SER A 55 8.076 -1.448 -2.994 1.00 0.00 H new ATOM 0 HA SER A 55 9.065 1.333 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.938 -0.669 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.702 1.041 -5.465 1.00 0.00 H new ATOM 0 HG SER A 55 9.653 0.255 -6.426 1.00 0.00 H new ATOM 775 N VAL A 56 6.796 2.447 -3.092 1.00 0.00 N ATOM 776 CA VAL A 56 5.539 3.091 -2.732 1.00 0.00 C ATOM 777 C VAL A 56 5.163 4.167 -3.745 1.00 0.00 C ATOM 778 O VAL A 56 6.028 4.860 -4.280 1.00 0.00 O ATOM 779 CB VAL A 56 5.614 3.725 -1.331 1.00 0.00 C ATOM 780 CG1 VAL A 56 4.271 4.322 -0.941 1.00 0.00 C ATOM 781 CG2 VAL A 56 6.068 2.698 -0.305 1.00 0.00 C ATOM 0 H VAL A 56 7.533 3.092 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 56 4.775 2.314 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 56 6.348 4.530 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.344 4.765 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.991 5.091 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.513 3.539 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.115 3.164 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.360 1.870 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.055 2.324 -0.577 1.00 0.00 H new ATOM 791 N ALA A 57 3.866 4.300 -4.004 1.00 0.00 N ATOM 792 CA ALA A 57 3.375 5.293 -4.952 1.00 0.00 C ATOM 793 C ALA A 57 2.049 5.886 -4.487 1.00 0.00 C ATOM 794 O ALA A 57 1.258 5.217 -3.822 1.00 0.00 O ATOM 795 CB ALA A 57 3.223 4.675 -6.334 1.00 0.00 C ATOM 0 H ALA A 57 3.137 3.733 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 57 4.106 6.100 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.856 5.428 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.190 4.305 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.514 3.848 -6.287 1.00 0.00 H new ATOM 801 N TYR A 58 1.813 7.145 -4.840 1.00 0.00 N ATOM 802 CA TYR A 58 0.584 7.828 -4.457 1.00 0.00 C ATOM 803 C TYR A 58 0.175 8.850 -5.514 1.00 0.00 C ATOM 804 O TYR A 58 1.017 9.555 -6.068 1.00 0.00 O ATOM 805 CB TYR A 58 0.762 8.521 -3.105 1.00 0.00 C ATOM 806 CG TYR A 58 1.958 9.444 -3.050 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.220 8.959 -2.730 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.827 10.801 -3.317 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.316 9.798 -2.678 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.917 11.647 -3.269 1.00 0.00 C ATOM 811 CZ TYR A 58 4.160 11.141 -2.949 1.00 0.00 C ATOM 812 OH TYR A 58 5.249 11.981 -2.898 1.00 0.00 O ATOM 0 H TYR A 58 2.457 7.713 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.206 7.081 -4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.138 9.092 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.863 7.763 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.346 7.908 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.855 11.201 -3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.290 9.404 -2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.797 12.699 -3.481 1.00 0.00 H new ATOM 0 HH TYR A 58 4.968 12.894 -3.116 1.00 0.00 H new ATOM 822 N GLU A 59 -1.124 8.921 -5.788 1.00 0.00 N ATOM 823 CA GLU A 59 -1.644 9.856 -6.779 1.00 0.00 C ATOM 824 C GLU A 59 -3.047 10.324 -6.401 1.00 0.00 C ATOM 825 O GLU A 59 -3.915 9.516 -6.072 1.00 0.00 O ATOM 826 CB GLU A 59 -1.668 9.205 -8.163 1.00 0.00 C ATOM 827 CG GLU A 59 -2.023 10.168 -9.283 1.00 0.00 C ATOM 828 CD GLU A 59 -2.569 9.462 -10.509 1.00 0.00 C ATOM 829 OE1 GLU A 59 -2.120 8.332 -10.793 1.00 0.00 O ATOM 830 OE2 GLU A 59 -3.447 10.040 -11.184 1.00 0.00 O ATOM 0 H GLU A 59 -1.834 8.343 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.984 10.723 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.690 8.769 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.388 8.386 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.762 10.883 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.137 10.738 -9.561 1.00 0.00 H new ATOM 837 N ALA A 60 -3.260 11.635 -6.450 1.00 0.00 N ATOM 838 CA ALA A 60 -4.556 12.211 -6.115 1.00 0.00 C ATOM 839 C ALA A 60 -5.645 11.692 -7.048 1.00 0.00 C ATOM 840 O ALA A 60 -5.421 11.522 -8.246 1.00 0.00 O ATOM 841 CB ALA A 60 -4.489 13.730 -6.172 1.00 0.00 C ATOM 0 H ALA A 60 -2.552 12.318 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.809 11.907 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.464 14.147 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.746 14.088 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.209 14.044 -7.177 1.00 0.00 H new ATOM 847 N VAL A 61 -6.826 11.443 -6.490 1.00 0.00 N ATOM 848 CA VAL A 61 -7.951 10.943 -7.272 1.00 0.00 C ATOM 849 C VAL A 61 -8.801 12.091 -7.806 1.00 0.00 C ATOM 850 O VAL A 61 -9.126 12.136 -8.992 1.00 0.00 O ATOM 851 CB VAL A 61 -8.841 10.003 -6.438 1.00 0.00 C ATOM 852 CG1 VAL A 61 -10.024 9.518 -7.262 1.00 0.00 C ATOM 853 CG2 VAL A 61 -8.029 8.829 -5.913 1.00 0.00 C ATOM 0 H VAL A 61 -7.028 11.579 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.532 10.385 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.228 10.559 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.642 8.855 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.618 10.373 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.661 8.978 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.673 8.175 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.612 8.271 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.219 9.199 -5.285 1.00 0.00 H new ATOM 863 N ASP A 62 -9.158 13.015 -6.922 1.00 0.00 N ATOM 864 CA ASP A 62 -9.971 14.165 -7.303 1.00 0.00 C ATOM 865 C ASP A 62 -9.301 15.468 -6.878 1.00 0.00 C ATOM 866 O ASP A 62 -9.969 16.411 -6.455 1.00 0.00 O ATOM 867 CB ASP A 62 -11.362 14.064 -6.677 1.00 0.00 C ATOM 868 CG ASP A 62 -12.429 14.726 -7.527 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.586 14.326 -8.699 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.106 15.645 -7.019 1.00 0.00 O ATOM 0 H ASP A 62 -8.898 12.991 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.070 14.165 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.617 13.014 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.348 14.528 -5.691 1.00 0.00 H new ATOM 875 N GLY A 63 -7.977 15.513 -6.993 1.00 0.00 N ATOM 876 CA GLY A 63 -7.240 16.705 -6.615 1.00 0.00 C ATOM 877 C GLY A 63 -6.909 17.583 -7.806 1.00 0.00 C ATOM 878 O GLY A 63 -7.410 17.360 -8.907 1.00 0.00 O ATOM 0 H GLY A 63 -7.402 14.746 -7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.826 17.278 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.317 16.414 -6.114 1.00 0.00 H new ATOM 882 N GLU A 64 -6.063 18.584 -7.583 1.00 0.00 N ATOM 883 CA GLU A 64 -5.668 19.500 -8.647 1.00 0.00 C ATOM 884 C GLU A 64 -4.682 18.834 -9.601 1.00 0.00 C ATOM 885 O GLU A 64 -4.848 18.885 -10.819 1.00 0.00 O ATOM 886 CB GLU A 64 -5.046 20.767 -8.055 1.00 0.00 C ATOM 887 CG GLU A 64 -6.068 21.747 -7.503 1.00 0.00 C ATOM 888 CD GLU A 64 -5.427 22.996 -6.930 1.00 0.00 C ATOM 889 OE1 GLU A 64 -4.393 23.436 -7.473 1.00 0.00 O ATOM 890 OE2 GLU A 64 -5.962 23.534 -5.937 1.00 0.00 O ATOM 0 H GLU A 64 -5.639 18.781 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.562 19.771 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.358 20.485 -7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.456 21.265 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.760 22.029 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.655 21.256 -6.727 1.00 0.00 H new ATOM 897 N ASP A 65 -3.654 18.208 -9.037 1.00 0.00 N ATOM 898 CA ASP A 65 -2.640 17.531 -9.836 1.00 0.00 C ATOM 899 C ASP A 65 -2.700 16.021 -9.624 1.00 0.00 C ATOM 900 O ASP A 65 -2.473 15.530 -8.519 1.00 0.00 O ATOM 901 CB ASP A 65 -1.247 18.053 -9.481 1.00 0.00 C ATOM 902 CG ASP A 65 -0.168 17.481 -10.380 1.00 0.00 C ATOM 903 OD1 ASP A 65 0.373 16.406 -10.047 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.137 18.110 -11.415 1.00 0.00 O ATOM 0 H ASP A 65 -3.502 18.156 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.841 17.741 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.240 19.140 -9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.022 17.803 -8.444 1.00 0.00 H new ATOM 909 N ARG A 66 -3.009 15.291 -10.691 1.00 0.00 N ATOM 910 CA ARG A 66 -3.102 13.838 -10.621 1.00 0.00 C ATOM 911 C ARG A 66 -1.734 13.195 -10.829 1.00 0.00 C ATOM 912 O ARG A 66 -1.634 12.059 -11.289 1.00 0.00 O ATOM 913 CB ARG A 66 -4.087 13.317 -11.670 1.00 0.00 C ATOM 914 CG ARG A 66 -5.516 13.213 -11.164 1.00 0.00 C ATOM 915 CD ARG A 66 -6.181 14.578 -11.086 1.00 0.00 C ATOM 916 NE ARG A 66 -6.323 15.194 -12.403 1.00 0.00 N ATOM 917 CZ ARG A 66 -7.220 16.133 -12.682 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.050 16.562 -11.742 1.00 0.00 N ATOM 919 NH2 ARG A 66 -7.288 16.645 -13.905 1.00 0.00 N ATOM 0 H ARG A 66 -3.199 15.682 -11.614 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.464 13.570 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.065 13.977 -12.537 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.758 12.335 -12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.091 12.565 -11.825 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.521 12.748 -10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.164 14.477 -10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.593 15.231 -10.442 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.699 14.886 -13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.001 16.171 -10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.738 17.283 -11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.651 16.317 -14.631 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.977 17.366 -14.118 1.00 0.00 H new ATOM 933 N GLY A 67 -0.681 13.931 -10.486 1.00 0.00 N ATOM 934 CA GLY A 67 0.667 13.417 -10.643 1.00 0.00 C ATOM 935 C GLY A 67 0.969 12.282 -9.684 1.00 0.00 C ATOM 936 O GLY A 67 0.906 12.455 -8.467 1.00 0.00 O ATOM 0 H GLY A 67 -0.738 14.874 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.803 13.070 -11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.382 14.224 -10.483 1.00 0.00 H new ATOM 940 N ARG A 68 1.297 11.117 -10.234 1.00 0.00 N ATOM 941 CA ARG A 68 1.608 9.949 -9.420 1.00 0.00 C ATOM 942 C ARG A 68 3.066 9.970 -8.971 1.00 0.00 C ATOM 943 O ARG A 68 3.980 9.939 -9.796 1.00 0.00 O ATOM 944 CB ARG A 68 1.322 8.665 -10.202 1.00 0.00 C ATOM 945 CG ARG A 68 1.344 7.411 -9.343 1.00 0.00 C ATOM 946 CD ARG A 68 2.734 6.795 -9.292 1.00 0.00 C ATOM 947 NE ARG A 68 3.043 6.042 -10.505 1.00 0.00 N ATOM 948 CZ ARG A 68 2.615 4.805 -10.730 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.863 4.186 -9.831 1.00 0.00 N ATOM 950 NH2 ARG A 68 2.938 4.185 -11.858 1.00 0.00 N ATOM 0 H ARG A 68 1.354 10.958 -11.240 1.00 0.00 H new ATOM 0 HA ARG A 68 0.973 9.976 -8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.346 8.751 -10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.059 8.563 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.016 7.655 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.637 6.683 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.475 7.583 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.807 6.135 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 68 3.619 6.490 -11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.611 4.660 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.536 3.236 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.515 4.658 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.609 3.235 -12.030 1.00 0.00 H new ATOM 964 N HIS A 69 3.276 10.024 -7.660 1.00 0.00 N ATOM 965 CA HIS A 69 4.623 10.050 -7.102 1.00 0.00 C ATOM 966 C HIS A 69 5.063 8.652 -6.679 1.00 0.00 C ATOM 967 O HIS A 69 4.234 7.765 -6.473 1.00 0.00 O ATOM 968 CB HIS A 69 4.684 11.000 -5.905 1.00 0.00 C ATOM 969 CG HIS A 69 4.781 12.444 -6.291 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.853 13.243 -5.953 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.933 13.232 -6.993 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.658 14.460 -6.428 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.500 14.480 -7.063 1.00 0.00 N ATOM 0 H HIS A 69 2.531 10.051 -6.964 1.00 0.00 H new ATOM 0 HA HIS A 69 5.303 10.408 -7.875 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.795 10.855 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.544 10.739 -5.288 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.986 12.934 -7.419 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.331 15.297 -6.316 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.093 15.291 -7.529 1.00 0.00 H new ATOM 982 N VAL A 70 6.373 8.461 -6.553 1.00 0.00 N ATOM 983 CA VAL A 70 6.923 7.171 -6.155 1.00 0.00 C ATOM 984 C VAL A 70 8.105 7.346 -5.208 1.00 0.00 C ATOM 985 O VAL A 70 9.051 8.075 -5.508 1.00 0.00 O ATOM 986 CB VAL A 70 7.375 6.352 -7.378 1.00 0.00 C ATOM 987 CG1 VAL A 70 7.994 5.033 -6.939 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.206 6.114 -8.321 1.00 0.00 C ATOM 0 H VAL A 70 7.073 9.184 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 70 6.127 6.632 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 70 8.134 6.921 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.307 4.468 -7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.859 5.230 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.259 4.455 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.544 5.534 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.422 5.566 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.813 7.072 -8.662 1.00 0.00 H new ATOM 998 N VAL A 71 8.046 6.672 -4.064 1.00 0.00 N ATOM 999 CA VAL A 71 9.112 6.752 -3.074 1.00 0.00 C ATOM 1000 C VAL A 71 10.229 5.762 -3.388 1.00 0.00 C ATOM 1001 O VAL A 71 9.972 4.597 -3.694 1.00 0.00 O ATOM 1002 CB VAL A 71 8.582 6.477 -1.654 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.702 6.598 -0.632 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.439 7.424 -1.320 1.00 0.00 C ATOM 0 H VAL A 71 7.270 6.064 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 71 9.507 7.767 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 71 8.201 5.457 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.308 6.400 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.485 5.875 -0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.117 7.605 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.076 7.216 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.792 8.454 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.628 7.282 -2.034 1.00 0.00 H new ATOM 1014 N ASP A 72 11.468 6.233 -3.309 1.00 0.00 N ATOM 1015 CA ASP A 72 12.626 5.389 -3.584 1.00 0.00 C ATOM 1016 C ASP A 72 13.571 5.356 -2.386 1.00 0.00 C ATOM 1017 O ASP A 72 13.658 6.319 -1.625 1.00 0.00 O ATOM 1018 CB ASP A 72 13.368 5.892 -4.822 1.00 0.00 C ATOM 1019 CG ASP A 72 13.516 7.401 -4.836 1.00 0.00 C ATOM 1020 OD1 ASP A 72 12.522 8.092 -5.143 1.00 0.00 O ATOM 1021 OD2 ASP A 72 14.625 7.891 -4.538 1.00 0.00 O ATOM 0 H ASP A 72 11.697 7.194 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 72 12.270 4.376 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.356 5.433 -4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.833 5.574 -5.717 1.00 0.00 H new ATOM 1026 N GLY A 73 14.276 4.241 -2.226 1.00 0.00 N ATOM 1027 CA GLY A 73 15.205 4.103 -1.119 1.00 0.00 C ATOM 1028 C GLY A 73 14.515 3.697 0.169 1.00 0.00 C ATOM 1029 O GLY A 73 14.670 4.355 1.198 1.00 0.00 O ATOM 0 H GLY A 73 14.221 3.430 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.960 3.359 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.726 5.048 -0.966 1.00 0.00 H new ATOM 1033 N ILE A 74 13.751 2.611 0.112 1.00 0.00 N ATOM 1034 CA ILE A 74 13.036 2.119 1.282 1.00 0.00 C ATOM 1035 C ILE A 74 13.624 0.800 1.772 1.00 0.00 C ATOM 1036 O ILE A 74 13.808 -0.136 0.994 1.00 0.00 O ATOM 1037 CB ILE A 74 11.538 1.921 0.984 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.866 3.269 0.714 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.857 1.207 2.142 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.439 3.147 0.228 1.00 0.00 C ATOM 0 H ILE A 74 13.612 2.056 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 74 13.147 2.874 2.060 1.00 0.00 H new ATOM 0 HB ILE A 74 11.440 1.302 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.880 3.862 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.449 3.814 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.799 1.075 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.321 0.232 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.963 1.802 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.026 4.141 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.419 2.581 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.842 2.630 0.979 1.00 0.00 H new ATOM 1052 N SER A 75 13.915 0.733 3.067 1.00 0.00 N ATOM 1053 CA SER A 75 14.484 -0.471 3.661 1.00 0.00 C ATOM 1054 C SER A 75 13.503 -1.636 3.574 1.00 0.00 C ATOM 1055 O SER A 75 12.305 -1.472 3.808 1.00 0.00 O ATOM 1056 CB SER A 75 14.862 -0.215 5.121 1.00 0.00 C ATOM 1057 OG SER A 75 15.982 -0.995 5.503 1.00 0.00 O ATOM 0 H SER A 75 13.766 1.498 3.725 1.00 0.00 H new ATOM 0 HA SER A 75 15.382 -0.733 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.086 0.842 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.015 -0.449 5.766 1.00 0.00 H new ATOM 0 HG SER A 75 16.204 -0.812 6.440 1.00 0.00 H new ATOM 1063 N ARG A 76 14.019 -2.813 3.236 1.00 0.00 N ATOM 1064 CA ARG A 76 13.189 -4.006 3.117 1.00 0.00 C ATOM 1065 C ARG A 76 12.521 -4.338 4.448 1.00 0.00 C ATOM 1066 O ARG A 76 11.447 -4.938 4.481 1.00 0.00 O ATOM 1067 CB ARG A 76 14.031 -5.193 2.646 1.00 0.00 C ATOM 1068 CG ARG A 76 15.190 -5.524 3.572 1.00 0.00 C ATOM 1069 CD ARG A 76 15.962 -6.741 3.086 1.00 0.00 C ATOM 1070 NE ARG A 76 15.312 -7.991 3.471 1.00 0.00 N ATOM 1071 CZ ARG A 76 15.954 -9.149 3.580 1.00 0.00 C ATOM 1072 NH1 ARG A 76 17.255 -9.215 3.336 1.00 0.00 N ATOM 1073 NH2 ARG A 76 15.294 -10.243 3.936 1.00 0.00 N ATOM 0 H ARG A 76 15.008 -2.966 3.040 1.00 0.00 H new ATOM 0 HA ARG A 76 12.411 -3.806 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.389 -6.069 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.422 -4.978 1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.861 -4.668 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.812 -5.709 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.056 -6.701 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.972 -6.717 3.495 1.00 0.00 H new ATOM 0 HE ARG A 76 14.311 -7.974 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.766 -8.375 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.745 -10.105 3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.293 -10.196 4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.787 -11.132 4.020 1.00 0.00 H new ATOM 1087 N GLU A 77 13.165 -3.945 5.542 1.00 0.00 N ATOM 1088 CA GLU A 77 12.633 -4.203 6.875 1.00 0.00 C ATOM 1089 C GLU A 77 11.564 -3.178 7.242 1.00 0.00 C ATOM 1090 O GLU A 77 11.128 -3.103 8.391 1.00 0.00 O ATOM 1091 CB GLU A 77 13.758 -4.175 7.912 1.00 0.00 C ATOM 1092 CG GLU A 77 14.860 -5.187 7.642 1.00 0.00 C ATOM 1093 CD GLU A 77 15.521 -5.683 8.913 1.00 0.00 C ATOM 1094 OE1 GLU A 77 14.827 -5.773 9.947 1.00 0.00 O ATOM 1095 OE2 GLU A 77 16.732 -5.983 8.873 1.00 0.00 O ATOM 0 H GLU A 77 14.055 -3.447 5.532 1.00 0.00 H new ATOM 0 HA GLU A 77 12.177 -5.193 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.192 -3.176 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.336 -4.365 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.444 -6.035 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.614 -4.734 6.998 1.00 0.00 H new ATOM 1102 N HIS A 78 11.146 -2.389 6.257 1.00 0.00 N ATOM 1103 CA HIS A 78 10.127 -1.368 6.475 1.00 0.00 C ATOM 1104 C HIS A 78 8.883 -1.654 5.639 1.00 0.00 C ATOM 1105 O HIS A 78 8.770 -1.198 4.501 1.00 0.00 O ATOM 1106 CB HIS A 78 10.680 0.015 6.131 1.00 0.00 C ATOM 1107 CG HIS A 78 11.226 0.753 7.315 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.434 1.215 8.345 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.494 1.106 7.630 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.191 1.822 9.241 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.445 1.769 8.831 1.00 0.00 N ATOM 0 H HIS A 78 11.497 -2.437 5.301 1.00 0.00 H new ATOM 0 HA HIS A 78 9.847 -1.388 7.528 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.468 -0.093 5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.889 0.611 5.675 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.379 0.904 7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.843 2.283 10.154 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.247 2.158 9.326 1.00 0.00 H new ATOM 1120 N SER A 79 7.953 -2.412 6.210 1.00 0.00 N ATOM 1121 CA SER A 79 6.720 -2.763 5.516 1.00 0.00 C ATOM 1122 C SER A 79 5.694 -1.639 5.630 1.00 0.00 C ATOM 1123 O SER A 79 4.499 -1.852 5.428 1.00 0.00 O ATOM 1124 CB SER A 79 6.139 -4.058 6.085 1.00 0.00 C ATOM 1125 OG SER A 79 5.952 -3.960 7.487 1.00 0.00 O ATOM 0 H SER A 79 8.030 -2.795 7.152 1.00 0.00 H new ATOM 0 HA SER A 79 6.956 -2.912 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.186 -4.276 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.807 -4.889 5.861 1.00 0.00 H new ATOM 0 HG SER A 79 5.578 -4.800 7.827 1.00 0.00 H new ATOM 1131 N SER A 80 6.171 -0.442 5.955 1.00 0.00 N ATOM 1132 CA SER A 80 5.296 0.716 6.101 1.00 0.00 C ATOM 1133 C SER A 80 6.028 2.000 5.724 1.00 0.00 C ATOM 1134 O SER A 80 7.256 2.065 5.772 1.00 0.00 O ATOM 1135 CB SER A 80 4.778 0.813 7.537 1.00 0.00 C ATOM 1136 OG SER A 80 5.849 0.846 8.464 1.00 0.00 O ATOM 0 H SER A 80 7.158 -0.248 6.122 1.00 0.00 H new ATOM 0 HA SER A 80 4.450 0.589 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.169 1.710 7.648 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.132 -0.038 7.752 1.00 0.00 H new ATOM 0 HG SER A 80 5.492 0.910 9.374 1.00 0.00 H new ATOM 1142 N TRP A 81 5.264 3.020 5.349 1.00 0.00 N ATOM 1143 CA TRP A 81 5.839 4.304 4.963 1.00 0.00 C ATOM 1144 C TRP A 81 4.898 5.450 5.318 1.00 0.00 C ATOM 1145 O TRP A 81 3.686 5.261 5.420 1.00 0.00 O ATOM 1146 CB TRP A 81 6.141 4.321 3.464 1.00 0.00 C ATOM 1147 CG TRP A 81 7.050 5.440 3.054 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.696 6.588 2.405 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.465 5.515 3.264 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.805 7.373 2.199 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.902 6.737 2.717 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.403 4.670 3.861 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.237 7.132 2.751 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.728 5.063 3.894 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.135 6.285 3.342 1.00 0.00 C ATOM 0 H TRP A 81 4.246 2.983 5.304 1.00 0.00 H new ATOM 0 HA TRP A 81 6.769 4.438 5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.595 3.371 3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.204 4.403 2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.692 6.842 2.099 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.810 8.282 1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.099 3.726 4.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.553 8.073 2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.462 4.417 4.353 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.178 6.564 3.384 1.00 0.00 H new ATOM 1166 N ASP A 82 5.464 6.637 5.505 1.00 0.00 N ATOM 1167 CA ASP A 82 4.674 7.815 5.847 1.00 0.00 C ATOM 1168 C ASP A 82 4.850 8.910 4.801 1.00 0.00 C ATOM 1169 O ASP A 82 5.830 9.657 4.827 1.00 0.00 O ATOM 1170 CB ASP A 82 5.075 8.341 7.227 1.00 0.00 C ATOM 1171 CG ASP A 82 5.410 7.225 8.197 1.00 0.00 C ATOM 1172 OD1 ASP A 82 6.408 6.512 7.961 1.00 0.00 O ATOM 1173 OD2 ASP A 82 4.674 7.065 9.193 1.00 0.00 O ATOM 0 H ASP A 82 6.466 6.809 5.426 1.00 0.00 H new ATOM 0 HA ASP A 82 3.624 7.524 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.937 9.001 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.261 8.941 7.635 1.00 0.00 H new ATOM 1178 N LEU A 83 3.897 9.001 3.880 1.00 0.00 N ATOM 1179 CA LEU A 83 3.947 10.005 2.823 1.00 0.00 C ATOM 1180 C LEU A 83 3.702 11.401 3.386 1.00 0.00 C ATOM 1181 O LEU A 83 2.911 11.578 4.312 1.00 0.00 O ATOM 1182 CB LEU A 83 2.910 9.689 1.743 1.00 0.00 C ATOM 1183 CG LEU A 83 2.960 8.277 1.158 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.741 8.017 0.287 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.240 8.074 0.361 1.00 0.00 C ATOM 0 H LEU A 83 3.080 8.391 3.844 1.00 0.00 H new ATOM 0 HA LEU A 83 4.943 9.982 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.917 9.852 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.034 10.403 0.929 1.00 0.00 H new ATOM 0 HG LEU A 83 2.952 7.563 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.794 7.007 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.837 8.119 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.718 8.738 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.258 7.064 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.279 8.796 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.101 8.217 1.013 1.00 0.00 H new ATOM 1197 N VAL A 84 4.385 12.390 2.819 1.00 0.00 N ATOM 1198 CA VAL A 84 4.239 13.772 3.261 1.00 0.00 C ATOM 1199 C VAL A 84 4.241 14.732 2.077 1.00 0.00 C ATOM 1200 O VAL A 84 5.017 14.571 1.136 1.00 0.00 O ATOM 1201 CB VAL A 84 5.364 14.171 4.234 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.187 13.471 5.572 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.725 13.854 3.633 1.00 0.00 C ATOM 0 H VAL A 84 5.045 12.260 2.052 1.00 0.00 H new ATOM 0 HA VAL A 84 3.281 13.840 3.777 1.00 0.00 H new ATOM 0 HB VAL A 84 5.309 15.246 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.991 13.766 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.228 13.753 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.215 12.391 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.508 14.142 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.794 12.785 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.849 14.407 2.702 1.00 0.00 H new ATOM 1213 N GLY A 85 3.367 15.732 2.131 1.00 0.00 N ATOM 1214 CA GLY A 85 3.285 16.704 1.057 1.00 0.00 C ATOM 1215 C GLY A 85 2.085 16.477 0.159 1.00 0.00 C ATOM 1216 O GLY A 85 2.199 16.520 -1.066 1.00 0.00 O ATOM 0 H GLY A 85 2.714 15.886 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.232 17.706 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.196 16.658 0.460 1.00 0.00 H new ATOM 1220 N LEU A 86 0.930 16.233 0.769 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.297 15.995 0.017 1.00 0.00 C ATOM 1222 C LEU A 86 -1.343 17.060 0.332 1.00 0.00 C ATOM 1223 O LEU A 86 -1.165 17.867 1.244 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.854 14.607 0.336 1.00 0.00 C ATOM 1225 CG LEU A 86 0.149 13.453 0.284 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.451 12.196 0.893 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.591 13.195 -1.149 1.00 0.00 C ATOM 0 H LEU A 86 0.818 16.195 1.782 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.059 16.048 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.295 14.634 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.662 14.392 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 86 1.025 13.732 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.277 11.386 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.717 12.387 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.344 11.913 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.304 12.371 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.277 12.937 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.062 14.092 -1.551 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.435 17.052 -0.426 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.510 18.017 -0.226 1.00 0.00 C ATOM 1241 C GLU A 87 -4.338 17.660 1.005 1.00 0.00 C ATOM 1242 O GLU A 87 -4.331 16.517 1.464 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.411 18.073 -1.461 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.059 19.430 -1.680 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.194 20.363 -2.504 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.169 20.844 -1.976 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -4.541 20.613 -3.678 1.00 0.00 O ATOM 0 H GLU A 87 -2.599 16.389 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.060 18.997 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.823 17.814 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.191 17.318 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.018 19.294 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.265 19.890 -0.714 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.051 18.647 1.537 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.886 18.440 2.715 1.00 0.00 C ATOM 1256 C LYS A 88 -7.313 18.080 2.314 1.00 0.00 C ATOM 1257 O LYS A 88 -7.871 18.661 1.384 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.892 19.697 3.588 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.508 20.265 3.848 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.576 21.704 4.330 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.228 22.398 4.207 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.128 23.579 5.109 1.00 0.00 N ATOM 0 H LYS A 88 -5.067 19.599 1.171 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.467 17.611 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.504 20.460 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.365 19.464 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.998 19.655 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.916 20.214 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.321 22.248 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.904 21.725 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.433 21.691 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.075 22.715 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.195 24.024 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.871 24.265 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.248 23.273 6.096 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.896 17.119 3.022 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.259 16.683 2.740 1.00 0.00 C ATOM 1278 C TRP A 89 -9.391 16.208 1.297 1.00 0.00 C ATOM 1279 O TRP A 89 -10.333 16.577 0.595 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.246 17.820 3.008 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.578 17.345 3.506 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.827 16.209 4.223 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.842 17.992 3.324 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.171 16.112 4.496 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.814 17.194 3.956 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.246 19.170 2.689 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.164 17.536 3.970 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.586 19.508 2.703 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.532 18.694 3.341 1.00 0.00 C ATOM 0 H TRP A 89 -7.447 16.627 3.795 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.491 15.847 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.814 18.501 3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.391 18.389 2.090 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.079 15.493 4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.617 15.357 5.016 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.524 19.804 2.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.895 16.909 4.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.910 20.415 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.572 18.987 3.336 1.00 0.00 H new ATOM 1300 N THR A 90 -8.441 15.387 0.860 1.00 0.00 N ATOM 1301 CA THR A 90 -8.452 14.863 -0.500 1.00 0.00 C ATOM 1302 C THR A 90 -8.043 13.394 -0.526 1.00 0.00 C ATOM 1303 O THR A 90 -7.066 13.002 0.110 1.00 0.00 O ATOM 1304 CB THR A 90 -7.508 15.663 -1.418 1.00 0.00 C ATOM 1305 OG1 THR A 90 -7.902 17.039 -1.446 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.520 15.098 -2.830 1.00 0.00 C ATOM 0 H THR A 90 -7.655 15.071 1.428 1.00 0.00 H new ATOM 0 HA THR A 90 -9.473 14.960 -0.868 1.00 0.00 H new ATOM 0 HB THR A 90 -6.496 15.583 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.822 17.421 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.846 15.679 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.192 14.059 -2.809 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.531 15.151 -3.234 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.797 12.588 -1.267 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.512 11.162 -1.375 1.00 0.00 C ATOM 1316 C GLU A 91 -7.255 10.920 -2.207 1.00 0.00 C ATOM 1317 O GLU A 91 -6.958 11.672 -3.134 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.700 10.427 -1.999 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.553 8.915 -1.990 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.746 8.209 -2.606 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.717 7.934 -1.871 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -10.708 7.933 -3.823 1.00 0.00 O ATOM 0 H GLU A 91 -9.609 12.898 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.342 10.774 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.608 10.699 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.826 10.765 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.651 8.638 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.423 8.572 -0.963 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.523 9.865 -1.867 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.297 9.525 -2.580 1.00 0.00 C ATOM 1331 C TYR A 92 -5.153 8.013 -2.724 1.00 0.00 C ATOM 1332 O TYR A 92 -5.334 7.266 -1.762 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.081 10.097 -1.849 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.730 11.506 -2.270 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -2.900 11.740 -3.359 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.229 12.604 -1.579 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.575 13.026 -3.747 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -3.910 13.893 -1.961 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.083 14.099 -3.045 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.763 15.381 -3.429 1.00 0.00 O ATOM 0 H TYR A 92 -6.757 9.231 -1.103 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.353 9.964 -3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.273 10.084 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.223 9.449 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.502 10.902 -3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.877 12.447 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.927 13.190 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.306 14.735 -1.413 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.582 15.914 -3.505 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.824 7.569 -3.933 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.656 6.147 -4.205 1.00 0.00 C ATOM 1352 C ARG A 93 -3.194 5.734 -4.055 1.00 0.00 C ATOM 1353 O ARG A 93 -2.353 6.080 -4.885 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.149 5.813 -5.614 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.659 5.666 -5.711 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.103 5.418 -7.144 1.00 0.00 C ATOM 1357 NE ARG A 93 -7.051 4.001 -7.496 1.00 0.00 N ATOM 1358 CZ ARG A 93 -7.436 3.522 -8.674 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -7.897 4.341 -9.608 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -7.358 2.220 -8.919 1.00 0.00 N ATOM 0 H ARG A 93 -4.669 8.174 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.250 5.592 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.824 6.596 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.680 4.886 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.987 4.840 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.139 6.568 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.120 5.788 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.466 5.984 -7.824 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.700 3.344 -6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.957 5.342 -9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.192 3.970 -10.511 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.002 1.587 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.654 1.853 -9.823 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.899 4.993 -2.992 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.540 4.533 -2.734 1.00 0.00 C ATOM 1376 C VAL A 94 -1.331 3.116 -3.255 1.00 0.00 C ATOM 1377 O VAL A 94 -2.174 2.240 -3.057 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.212 4.568 -1.229 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.208 4.083 -0.981 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.410 5.970 -0.674 1.00 0.00 C ATOM 0 H VAL A 94 -3.583 4.698 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.870 5.213 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.896 3.896 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.422 4.115 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.311 3.060 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.910 4.727 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.174 5.977 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.752 6.664 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.447 6.275 -0.818 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.204 2.897 -3.923 1.00 0.00 N ATOM 1391 CA TRP A 95 0.116 1.585 -4.473 1.00 0.00 C ATOM 1392 C TRP A 95 1.486 1.115 -3.998 1.00 0.00 C ATOM 1393 O TRP A 95 2.512 1.688 -4.366 1.00 0.00 O ATOM 1394 CB TRP A 95 0.079 1.627 -6.001 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.283 1.918 -6.555 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.305 1.028 -6.727 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.771 3.185 -7.009 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.398 1.665 -7.262 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -3.097 2.989 -7.444 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.218 4.465 -7.090 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.874 4.027 -7.951 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.991 5.494 -7.594 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.307 5.270 -8.019 1.00 0.00 C ATOM 0 H TRP A 95 0.503 3.611 -4.097 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.633 0.877 -4.118 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.777 2.387 -6.353 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.426 0.670 -6.392 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.260 -0.022 -6.479 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.290 1.224 -7.487 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.204 4.647 -6.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.889 3.857 -8.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.573 6.488 -7.661 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.885 6.095 -8.408 1.00 0.00 H new ATOM 1414 N VAL A 96 1.497 0.069 -3.178 1.00 0.00 N ATOM 1415 CA VAL A 96 2.743 -0.479 -2.654 1.00 0.00 C ATOM 1416 C VAL A 96 2.954 -1.913 -3.126 1.00 0.00 C ATOM 1417 O VAL A 96 2.021 -2.715 -3.144 1.00 0.00 O ATOM 1418 CB VAL A 96 2.765 -0.448 -1.114 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.550 -1.167 -0.548 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.053 -1.064 -0.588 1.00 0.00 C ATOM 0 H VAL A 96 0.657 -0.416 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 96 3.550 0.148 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 96 2.726 0.591 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.583 -1.135 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.641 -0.677 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.554 -2.205 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.052 -1.034 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.124 -2.099 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.906 -0.501 -0.966 1.00 0.00 H new ATOM 1430 N ARG A 97 4.188 -2.229 -3.507 1.00 0.00 N ATOM 1431 CA ARG A 97 4.522 -3.567 -3.980 1.00 0.00 C ATOM 1432 C ARG A 97 5.902 -3.990 -3.484 1.00 0.00 C ATOM 1433 O ARG A 97 6.720 -3.152 -3.108 1.00 0.00 O ATOM 1434 CB ARG A 97 4.480 -3.616 -5.508 1.00 0.00 C ATOM 1435 CG ARG A 97 5.365 -2.576 -6.176 1.00 0.00 C ATOM 1436 CD ARG A 97 4.893 -2.266 -7.587 1.00 0.00 C ATOM 1437 NE ARG A 97 5.862 -1.458 -8.323 1.00 0.00 N ATOM 1438 CZ ARG A 97 5.591 -0.853 -9.475 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.387 -0.963 -10.018 1.00 0.00 N ATOM 1440 NH2 ARG A 97 6.526 -0.136 -10.085 1.00 0.00 N ATOM 0 H ARG A 97 4.972 -1.577 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 97 3.783 -4.262 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.786 -4.608 -5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.452 -3.472 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.365 -1.662 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.393 -2.937 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.717 -3.198 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.940 -1.739 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 97 6.798 -1.352 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.666 -1.513 -9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.182 -0.498 -10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.454 -0.049 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.317 0.328 -10.969 1.00 0.00 H new ATOM 1454 N ALA A 98 6.152 -5.295 -3.488 1.00 0.00 N ATOM 1455 CA ALA A 98 7.432 -5.829 -3.040 1.00 0.00 C ATOM 1456 C ALA A 98 8.406 -5.967 -4.205 1.00 0.00 C ATOM 1457 O ALA A 98 7.999 -6.196 -5.345 1.00 0.00 O ATOM 1458 CB ALA A 98 7.233 -7.172 -2.354 1.00 0.00 C ATOM 0 H ALA A 98 5.485 -6.002 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 98 7.860 -5.128 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.197 -7.559 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.579 -7.047 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.780 -7.874 -3.054 1.00 0.00 H new ATOM 1464 N HIS A 99 9.695 -5.826 -3.913 1.00 0.00 N ATOM 1465 CA HIS A 99 10.728 -5.936 -4.937 1.00 0.00 C ATOM 1466 C HIS A 99 11.710 -7.054 -4.601 1.00 0.00 C ATOM 1467 O HIS A 99 12.213 -7.138 -3.479 1.00 0.00 O ATOM 1468 CB HIS A 99 11.476 -4.610 -5.080 1.00 0.00 C ATOM 1469 CG HIS A 99 10.741 -3.593 -5.898 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.403 -3.310 -5.722 1.00 0.00 N ATOM 1471 CD2 HIS A 99 11.165 -2.788 -6.900 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.036 -2.377 -6.581 1.00 0.00 C ATOM 1473 NE2 HIS A 99 10.087 -2.042 -7.308 1.00 0.00 N ATOM 0 H HIS A 99 10.049 -5.635 -2.976 1.00 0.00 H new ATOM 0 HA HIS A 99 10.243 -6.175 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.664 -4.199 -4.088 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.448 -4.798 -5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.166 -2.741 -7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.045 -1.959 -6.674 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.096 -1.343 -8.051 1.00 0.00 H new ATOM 1482 N THR A 100 11.980 -7.913 -5.579 1.00 0.00 N ATOM 1483 CA THR A 100 12.900 -9.026 -5.387 1.00 0.00 C ATOM 1484 C THR A 100 14.166 -8.844 -6.216 1.00 0.00 C ATOM 1485 O THR A 100 14.140 -8.215 -7.274 1.00 0.00 O ATOM 1486 CB THR A 100 12.243 -10.368 -5.762 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.503 -10.229 -6.980 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.318 -10.847 -4.653 1.00 0.00 C ATOM 0 H THR A 100 11.574 -7.859 -6.513 1.00 0.00 H new ATOM 0 HA THR A 100 13.162 -9.040 -4.329 1.00 0.00 H new ATOM 0 HB THR A 100 13.033 -11.107 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.850 -9.467 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.866 -11.796 -4.941 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.890 -10.981 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.535 -10.107 -4.488 1.00 0.00 H new ATOM 1496 N ASP A 101 15.271 -9.397 -5.730 1.00 0.00 N ATOM 1497 CA ASP A 101 16.547 -9.297 -6.428 1.00 0.00 C ATOM 1498 C ASP A 101 16.369 -9.539 -7.924 1.00 0.00 C ATOM 1499 O ASP A 101 17.045 -8.924 -8.748 1.00 0.00 O ATOM 1500 CB ASP A 101 17.548 -10.300 -5.852 1.00 0.00 C ATOM 1501 CG ASP A 101 18.803 -10.414 -6.695 1.00 0.00 C ATOM 1502 OD1 ASP A 101 18.694 -10.837 -7.865 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.894 -10.083 -6.185 1.00 0.00 O ATOM 0 H ASP A 101 15.309 -9.920 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 101 16.933 -8.288 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.819 -9.998 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.074 -11.279 -5.776 1.00 0.00 H new ATOM 1508 N VAL A 102 15.455 -10.441 -8.267 1.00 0.00 N ATOM 1509 CA VAL A 102 15.187 -10.765 -9.664 1.00 0.00 C ATOM 1510 C VAL A 102 14.484 -9.612 -10.370 1.00 0.00 C ATOM 1511 O VAL A 102 14.734 -9.345 -11.545 1.00 0.00 O ATOM 1512 CB VAL A 102 14.324 -12.034 -9.790 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.114 -13.263 -9.367 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.053 -11.898 -8.965 1.00 0.00 C ATOM 0 H VAL A 102 14.888 -10.960 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 102 16.152 -10.943 -10.139 1.00 0.00 H new ATOM 0 HB VAL A 102 14.041 -12.156 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.487 -14.149 -9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.992 -13.369 -10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.430 -13.153 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.455 -12.804 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.314 -11.750 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.478 -11.043 -9.320 1.00 0.00 H new ATOM 1524 N GLY A 103 13.601 -8.931 -9.646 1.00 0.00 N ATOM 1525 CA GLY A 103 12.874 -7.814 -10.220 1.00 0.00 C ATOM 1526 C GLY A 103 11.532 -7.591 -9.552 1.00 0.00 C ATOM 1527 O GLY A 103 10.991 -8.474 -8.886 1.00 0.00 O ATOM 0 H GLY A 103 13.376 -9.133 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.475 -6.909 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.721 -7.992 -11.284 1.00 0.00 H new ATOM 1531 N PRO A 104 10.974 -6.383 -9.725 1.00 0.00 N ATOM 1532 CA PRO A 104 9.680 -6.018 -9.140 1.00 0.00 C ATOM 1533 C PRO A 104 8.518 -6.758 -9.795 1.00 0.00 C ATOM 1534 O PRO A 104 8.687 -7.413 -10.822 1.00 0.00 O ATOM 1535 CB PRO A 104 9.579 -4.515 -9.414 1.00 0.00 C ATOM 1536 CG PRO A 104 10.438 -4.289 -10.610 1.00 0.00 C ATOM 1537 CD PRO A 104 11.562 -5.283 -10.506 1.00 0.00 C ATOM 0 HA PRO A 104 9.623 -6.278 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.548 -4.216 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 104 9.927 -3.933 -8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.872 -4.435 -11.530 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.820 -3.268 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.893 -5.620 -11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.431 -4.856 -10.006 1.00 0.00 H new ATOM 1545 N GLY A 105 7.338 -6.648 -9.192 1.00 0.00 N ATOM 1546 CA GLY A 105 6.166 -7.311 -9.731 1.00 0.00 C ATOM 1547 C GLY A 105 4.972 -6.383 -9.838 1.00 0.00 C ATOM 1548 O GLY A 105 5.114 -5.169 -9.981 1.00 0.00 O ATOM 0 H GLY A 105 7.173 -6.112 -8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.400 -7.711 -10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.908 -8.158 -9.096 1.00 0.00 H new ATOM 1552 N PRO A 106 3.762 -6.958 -9.769 1.00 0.00 N ATOM 1553 CA PRO A 106 2.515 -6.193 -9.858 1.00 0.00 C ATOM 1554 C PRO A 106 2.280 -5.323 -8.628 1.00 0.00 C ATOM 1555 O PRO A 106 3.095 -5.303 -7.707 1.00 0.00 O ATOM 1556 CB PRO A 106 1.440 -7.277 -9.961 1.00 0.00 C ATOM 1557 CG PRO A 106 2.044 -8.473 -9.310 1.00 0.00 C ATOM 1558 CD PRO A 106 3.518 -8.400 -9.599 1.00 0.00 C ATOM 0 HA PRO A 106 2.521 -5.500 -10.699 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.522 -6.973 -9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.181 -7.480 -11.000 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.856 -8.470 -8.236 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.613 -9.393 -9.706 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.109 -8.814 -8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.780 -8.960 -10.497 1.00 0.00 H new ATOM 1566 N GLU A 107 1.160 -4.607 -8.620 1.00 0.00 N ATOM 1567 CA GLU A 107 0.819 -3.736 -7.502 1.00 0.00 C ATOM 1568 C GLU A 107 -0.127 -4.439 -6.533 1.00 0.00 C ATOM 1569 O GLU A 107 -0.546 -5.572 -6.770 1.00 0.00 O ATOM 1570 CB GLU A 107 0.177 -2.444 -8.011 1.00 0.00 C ATOM 1571 CG GLU A 107 1.069 -1.649 -8.949 1.00 0.00 C ATOM 1572 CD GLU A 107 0.280 -0.801 -9.927 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -0.227 0.263 -9.516 1.00 0.00 O ATOM 1574 OE2 GLU A 107 0.169 -1.203 -11.105 1.00 0.00 O ATOM 0 H GLU A 107 0.474 -4.613 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 107 1.739 -3.492 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.752 -2.689 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.087 -1.819 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.724 -1.005 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.709 -2.335 -9.503 1.00 0.00 H new ATOM 1581 N SER A 108 -0.459 -3.759 -5.440 1.00 0.00 N ATOM 1582 CA SER A 108 -1.352 -4.319 -4.433 1.00 0.00 C ATOM 1583 C SER A 108 -2.685 -3.577 -4.415 1.00 0.00 C ATOM 1584 O SER A 108 -2.885 -2.619 -5.161 1.00 0.00 O ATOM 1585 CB SER A 108 -0.700 -4.253 -3.050 1.00 0.00 C ATOM 1586 OG SER A 108 -0.691 -2.926 -2.554 1.00 0.00 O ATOM 0 H SER A 108 -0.123 -2.819 -5.230 1.00 0.00 H new ATOM 0 HA SER A 108 -1.540 -5.362 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.240 -4.899 -2.358 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.321 -4.630 -3.107 1.00 0.00 H new ATOM 0 HG SER A 108 0.211 -2.553 -2.635 1.00 0.00 H new ATOM 1592 N SER A 109 -3.595 -4.028 -3.557 1.00 0.00 N ATOM 1593 CA SER A 109 -4.911 -3.411 -3.444 1.00 0.00 C ATOM 1594 C SER A 109 -4.798 -1.986 -2.910 1.00 0.00 C ATOM 1595 O SER A 109 -4.419 -1.754 -1.762 1.00 0.00 O ATOM 1596 CB SER A 109 -5.810 -4.242 -2.526 1.00 0.00 C ATOM 1597 OG SER A 109 -7.107 -3.679 -2.437 1.00 0.00 O ATOM 0 H SER A 109 -3.445 -4.818 -2.930 1.00 0.00 H new ATOM 0 HA SER A 109 -5.355 -3.374 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.878 -5.262 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.366 -4.300 -1.532 1.00 0.00 H new ATOM 0 HG SER A 109 -7.663 -4.229 -1.846 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.136 -1.007 -3.763 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.082 0.412 -3.401 1.00 0.00 C ATOM 1605 C PRO A 110 -6.155 0.793 -2.387 1.00 0.00 C ATOM 1606 O PRO A 110 -7.345 0.579 -2.617 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.327 1.127 -4.732 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.094 0.149 -5.553 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.597 -1.211 -5.147 1.00 0.00 C ATOM 0 HA PRO A 110 -4.137 0.676 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.889 2.050 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.388 1.398 -5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.165 0.243 -5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.933 0.322 -6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.387 -1.960 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.789 -1.553 -5.793 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.726 1.358 -1.263 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.650 1.770 -0.213 1.00 0.00 C ATOM 1619 C VAL A 111 -7.006 3.247 -0.343 1.00 0.00 C ATOM 1620 O VAL A 111 -6.126 4.100 -0.467 1.00 0.00 O ATOM 1621 CB VAL A 111 -6.060 1.517 1.186 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -7.014 2.004 2.265 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.743 0.041 1.371 1.00 0.00 C ATOM 0 H VAL A 111 -4.744 1.541 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.552 1.170 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.131 2.080 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.579 1.816 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.186 3.073 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.961 1.472 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.327 -0.120 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.656 -0.544 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.019 -0.273 0.619 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.301 3.543 -0.313 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.774 4.918 -0.427 1.00 0.00 C ATOM 1635 C LEU A 112 -8.782 5.606 0.935 1.00 0.00 C ATOM 1636 O LEU A 112 -9.531 5.220 1.832 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.178 4.947 -1.034 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.331 4.281 -2.402 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.768 4.387 -2.889 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.377 4.907 -3.409 1.00 0.00 C ATOM 0 H LEU A 112 -9.042 2.849 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.090 5.458 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.863 4.463 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.493 5.987 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.080 3.225 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.858 3.908 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.430 3.892 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.047 5.437 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.499 4.421 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.597 5.970 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.350 4.779 -3.066 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.945 6.628 1.081 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.858 7.372 2.332 1.00 0.00 C ATOM 1654 C VAL A 113 -8.105 8.859 2.105 1.00 0.00 C ATOM 1655 O VAL A 113 -7.545 9.458 1.187 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.483 7.187 3.001 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.310 5.753 3.478 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.368 7.576 2.042 1.00 0.00 C ATOM 0 H VAL A 113 -7.317 6.960 0.349 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.630 6.975 2.991 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.430 7.843 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.333 5.641 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.090 5.513 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.383 5.075 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.403 7.439 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.417 6.947 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.484 8.621 1.754 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.945 9.450 2.949 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.266 10.867 2.841 1.00 0.00 C ATOM 1670 C ARG A 114 -8.608 11.662 3.965 1.00 0.00 C ATOM 1671 O ARG A 114 -9.006 11.562 5.126 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.781 11.073 2.876 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.196 12.531 2.981 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.520 12.683 3.715 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.625 12.073 2.981 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.903 12.252 3.294 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.235 13.021 4.323 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.852 11.663 2.578 1.00 0.00 N ATOM 0 H ARG A 114 -9.415 8.968 3.715 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.879 11.229 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.218 10.644 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.194 10.525 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.422 13.094 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.281 12.959 1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.443 12.225 4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.729 13.741 3.871 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.403 11.477 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.508 13.476 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.217 13.157 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.600 11.072 1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.833 11.801 2.820 1.00 0.00 H new ATOM 1692 N THR A 115 -7.598 12.451 3.613 1.00 0.00 N ATOM 1693 CA THR A 115 -6.883 13.261 4.591 1.00 0.00 C ATOM 1694 C THR A 115 -7.850 14.082 5.436 1.00 0.00 C ATOM 1695 O THR A 115 -9.003 14.285 5.056 1.00 0.00 O ATOM 1696 CB THR A 115 -5.880 14.210 3.910 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.499 14.856 2.791 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.646 13.451 3.445 1.00 0.00 C ATOM 0 H THR A 115 -7.256 12.546 2.657 1.00 0.00 H new ATOM 0 HA THR A 115 -6.338 12.571 5.235 1.00 0.00 H new ATOM 0 HB THR A 115 -5.572 14.961 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.907 15.558 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.952 14.143 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.161 12.985 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.940 12.681 2.732 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.373 14.553 6.583 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.195 15.355 7.482 1.00 0.00 C ATOM 1708 C ASP A 116 -8.860 16.504 6.730 1.00 0.00 C ATOM 1709 O ASP A 116 -8.352 16.966 5.709 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.348 15.904 8.630 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.163 14.895 9.747 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.174 14.315 10.196 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -6.008 14.685 10.171 1.00 0.00 O ATOM 0 H ASP A 116 -6.421 14.393 6.912 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.974 14.712 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.372 16.201 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.821 16.801 9.029 1.00 0.00 H new ATOM 1718 N GLU A 117 -10.000 16.959 7.241 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.735 18.052 6.616 1.00 0.00 C ATOM 1720 C GLU A 117 -10.274 19.400 7.163 1.00 0.00 C ATOM 1721 O GLU A 117 -9.928 19.520 8.338 1.00 0.00 O ATOM 1722 CB GLU A 117 -12.238 17.883 6.846 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.727 18.495 8.148 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.962 17.802 8.691 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -13.820 16.698 9.258 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -15.068 18.362 8.549 1.00 0.00 O ATOM 0 H GLU A 117 -10.434 16.588 8.086 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.534 18.026 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.778 18.338 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.481 16.820 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.931 18.444 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.948 19.550 7.989 1.00 0.00 H new