USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=-0.016) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00976 USER MOD Single : A 24 CYS SG : rot 170:sc= -0.0339 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 94:sc= 0.00818 USER MOD Single : A 34 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.81) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 45 ASN : amide:sc= -2.14 K(o=-2.1,f=-11!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -98:sc= -0.825 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 65 MET CE :methyl 174:sc= 0 (180deg=-0.00464) USER MOD Single : A 66 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.9) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.568 F(o=-1.3,f=-0.57) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 140:sc= -0.633 (180deg=-2.61!) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= 0.807 (180deg=0.413) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 120:sc= 0.251 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 22:sc= 0.304 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -79:sc= 0.883 USER MOD Single : A 109 LYS NZ :NH3+ -125:sc= -0.0115 (180deg=-0.756) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -3.484 -10.963 -4.891 1.00 0.00 N ATOM 266 CA GLU A 20 -3.106 -11.011 -3.484 1.00 0.00 C ATOM 267 C GLU A 20 -2.957 -9.604 -2.912 1.00 0.00 C ATOM 268 O GLU A 20 -3.481 -9.298 -1.840 1.00 0.00 O ATOM 269 CB GLU A 20 -1.797 -11.785 -3.310 1.00 0.00 C ATOM 270 CG GLU A 20 -0.687 -11.318 -4.236 1.00 0.00 C ATOM 271 CD GLU A 20 0.583 -12.132 -4.081 1.00 0.00 C ATOM 272 OE1 GLU A 20 0.742 -12.788 -3.030 1.00 0.00 O ATOM 273 OE2 GLU A 20 1.417 -12.115 -5.011 1.00 0.00 O ATOM 0 HA GLU A 20 -3.898 -11.524 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.462 -11.688 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.985 -12.844 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.030 -11.380 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.469 -10.269 -4.035 1.00 0.00 H new ATOM 280 N THR A 21 -2.238 -8.750 -3.635 1.00 0.00 N ATOM 281 CA THR A 21 -2.019 -7.377 -3.200 1.00 0.00 C ATOM 282 C THR A 21 -2.044 -6.415 -4.382 1.00 0.00 C ATOM 283 O THR A 21 -1.695 -6.769 -5.509 1.00 0.00 O ATOM 284 CB THR A 21 -0.674 -7.230 -2.462 1.00 0.00 C ATOM 285 OG1 THR A 21 0.376 -6.981 -3.403 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.358 -8.483 -1.660 1.00 0.00 C ATOM 0 H THR A 21 -1.798 -8.986 -4.524 1.00 0.00 H new ATOM 0 HA THR A 21 -2.830 -7.129 -2.516 1.00 0.00 H new ATOM 0 HB THR A 21 -0.751 -6.388 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.227 -6.887 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.596 -8.356 -1.148 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.145 -8.653 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.298 -9.339 -2.332 1.00 0.00 H new ATOM 294 N PRO A 22 -2.467 -5.170 -4.123 1.00 0.00 N ATOM 295 CA PRO A 22 -2.546 -4.130 -5.154 1.00 0.00 C ATOM 296 C PRO A 22 -1.169 -3.671 -5.622 1.00 0.00 C ATOM 297 O PRO A 22 -0.188 -3.772 -4.887 1.00 0.00 O ATOM 298 CB PRO A 22 -3.280 -2.986 -4.448 1.00 0.00 C ATOM 299 CG PRO A 22 -2.996 -3.191 -3.000 1.00 0.00 C ATOM 300 CD PRO A 22 -2.898 -4.678 -2.803 1.00 0.00 C ATOM 0 HA PRO A 22 -3.047 -4.486 -6.054 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.920 -2.015 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.351 -3.018 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.068 -2.697 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.788 -2.767 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.179 -4.934 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.855 -5.108 -2.507 1.00 0.00 H new ATOM 308 N SER A 23 -1.105 -3.166 -6.850 1.00 0.00 N ATOM 309 CA SER A 23 0.153 -2.695 -7.418 1.00 0.00 C ATOM 310 C SER A 23 0.764 -1.599 -6.549 1.00 0.00 C ATOM 311 O SER A 23 1.982 -1.533 -6.381 1.00 0.00 O ATOM 312 CB SER A 23 -0.069 -2.172 -8.838 1.00 0.00 C ATOM 313 OG SER A 23 -1.247 -1.389 -8.915 1.00 0.00 O ATOM 0 H SER A 23 -1.909 -3.073 -7.470 1.00 0.00 H new ATOM 0 HA SER A 23 0.846 -3.536 -7.453 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.789 -1.575 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.140 -3.011 -9.531 1.00 0.00 H new ATOM 0 HG SER A 23 -1.365 -1.065 -9.832 1.00 0.00 H new ATOM 319 N CYS A 24 -0.090 -0.743 -6.000 1.00 0.00 N ATOM 320 CA CYS A 24 0.364 0.351 -5.150 1.00 0.00 C ATOM 321 C CYS A 24 1.284 -0.163 -4.048 1.00 0.00 C ATOM 322 O CYS A 24 2.233 0.514 -3.649 1.00 0.00 O ATOM 323 CB CYS A 24 -0.833 1.077 -4.533 1.00 0.00 C ATOM 324 SG CYS A 24 -2.139 1.484 -5.717 1.00 0.00 S ATOM 0 H CYS A 24 -1.101 -0.786 -6.128 1.00 0.00 H new ATOM 0 HA CYS A 24 0.924 1.051 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.254 0.455 -3.743 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.484 1.996 -4.063 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.192 1.898 -5.077 1.00 0.00 H new ATOM 330 N PHE A 25 0.999 -1.365 -3.558 1.00 0.00 N ATOM 331 CA PHE A 25 1.799 -1.970 -2.499 1.00 0.00 C ATOM 332 C PHE A 25 3.239 -2.176 -2.957 1.00 0.00 C ATOM 333 O PHE A 25 3.504 -2.365 -4.146 1.00 0.00 O ATOM 334 CB PHE A 25 1.191 -3.308 -2.073 1.00 0.00 C ATOM 335 CG PHE A 25 2.105 -4.136 -1.215 1.00 0.00 C ATOM 336 CD1 PHE A 25 3.127 -4.877 -1.784 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.943 -4.169 0.160 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.969 -5.640 -0.998 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.782 -4.930 0.953 1.00 0.00 C ATOM 340 CZ PHE A 25 3.797 -5.665 0.374 1.00 0.00 C ATOM 0 H PHE A 25 0.219 -1.940 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 25 1.801 -1.292 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.266 -3.120 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.927 -3.878 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.268 -4.858 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.152 -3.594 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.760 -6.216 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.643 -4.949 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.455 -6.258 0.991 1.00 0.00 H new ATOM 350 N LEU A 26 4.166 -2.137 -2.008 1.00 0.00 N ATOM 351 CA LEU A 26 5.582 -2.319 -2.311 1.00 0.00 C ATOM 352 C LEU A 26 6.327 -2.895 -1.112 1.00 0.00 C ATOM 353 O LEU A 26 5.917 -2.711 0.034 1.00 0.00 O ATOM 354 CB LEU A 26 6.210 -0.986 -2.724 1.00 0.00 C ATOM 355 CG LEU A 26 5.491 0.274 -2.240 1.00 0.00 C ATOM 356 CD1 LEU A 26 5.568 0.382 -0.724 1.00 0.00 C ATOM 357 CD2 LEU A 26 6.085 1.512 -2.895 1.00 0.00 C ATOM 0 H LEU A 26 3.963 -1.981 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 26 5.663 -3.025 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.235 -0.960 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.263 -0.954 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 26 4.442 0.204 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.051 1.284 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.096 -0.491 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.612 0.430 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.561 2.399 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.142 1.588 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.978 1.438 -3.977 1.00 0.00 H new ATOM 369 N LYS A 27 7.424 -3.593 -1.383 1.00 0.00 N ATOM 370 CA LYS A 27 8.231 -4.194 -0.327 1.00 0.00 C ATOM 371 C LYS A 27 9.361 -3.259 0.094 1.00 0.00 C ATOM 372 O LYS A 27 10.354 -3.110 -0.619 1.00 0.00 O ATOM 373 CB LYS A 27 8.808 -5.531 -0.796 1.00 0.00 C ATOM 374 CG LYS A 27 7.750 -6.575 -1.107 1.00 0.00 C ATOM 375 CD LYS A 27 7.296 -6.496 -2.554 1.00 0.00 C ATOM 376 CE LYS A 27 6.798 -7.842 -3.057 1.00 0.00 C ATOM 377 NZ LYS A 27 6.397 -7.786 -4.490 1.00 0.00 N ATOM 0 H LYS A 27 7.776 -3.757 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 27 7.586 -4.366 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.414 -5.363 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.474 -5.920 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.148 -7.569 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.893 -6.434 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.502 -5.755 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.123 -6.157 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.581 -8.590 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.948 -8.163 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.064 -8.723 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.633 -7.091 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.214 -7.505 -5.068 1.00 0.00 H new ATOM 391 N VAL A 28 9.204 -2.633 1.256 1.00 0.00 N ATOM 392 CA VAL A 28 10.211 -1.716 1.772 1.00 0.00 C ATOM 393 C VAL A 28 10.255 -1.749 3.296 1.00 0.00 C ATOM 394 O VAL A 28 9.435 -2.406 3.937 1.00 0.00 O ATOM 395 CB VAL A 28 9.947 -0.271 1.309 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.585 -0.243 -0.169 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.847 0.364 2.147 1.00 0.00 C ATOM 0 H VAL A 28 8.388 -2.745 1.858 1.00 0.00 H new ATOM 0 HA VAL A 28 11.171 -2.046 1.375 1.00 0.00 H new ATOM 0 HB VAL A 28 10.859 0.310 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.402 0.786 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.407 -0.657 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.687 -0.838 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.673 1.385 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.929 -0.215 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.149 0.377 3.194 1.00 0.00 H new ATOM 407 N SER A 29 11.216 -1.034 3.871 1.00 0.00 N ATOM 408 CA SER A 29 11.369 -0.983 5.321 1.00 0.00 C ATOM 409 C SER A 29 10.497 0.115 5.920 1.00 0.00 C ATOM 410 O SER A 29 9.961 0.960 5.202 1.00 0.00 O ATOM 411 CB SER A 29 12.835 -0.746 5.693 1.00 0.00 C ATOM 412 OG SER A 29 13.610 -1.914 5.481 1.00 0.00 O ATOM 0 H SER A 29 11.901 -0.482 3.355 1.00 0.00 H new ATOM 0 HA SER A 29 11.049 -1.941 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.237 0.074 5.098 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.904 -0.445 6.738 1.00 0.00 H new ATOM 0 HG SER A 29 14.018 -1.879 4.591 1.00 0.00 H new ATOM 418 N ARG A 30 10.358 0.096 7.242 1.00 0.00 N ATOM 419 CA ARG A 30 9.551 1.089 7.940 1.00 0.00 C ATOM 420 C ARG A 30 9.938 2.502 7.515 1.00 0.00 C ATOM 421 O ARG A 30 9.081 3.316 7.170 1.00 0.00 O ATOM 422 CB ARG A 30 9.712 0.937 9.454 1.00 0.00 C ATOM 423 CG ARG A 30 8.719 -0.029 10.079 1.00 0.00 C ATOM 424 CD ARG A 30 9.153 -0.447 11.475 1.00 0.00 C ATOM 425 NE ARG A 30 8.475 -1.664 11.917 1.00 0.00 N ATOM 426 CZ ARG A 30 7.230 -1.685 12.379 1.00 0.00 C ATOM 427 NH1 ARG A 30 6.531 -0.561 12.459 1.00 0.00 N ATOM 428 NH2 ARG A 30 6.683 -2.830 12.762 1.00 0.00 N ATOM 0 H ARG A 30 10.794 -0.597 7.851 1.00 0.00 H new ATOM 0 HA ARG A 30 8.507 0.922 7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.724 0.595 9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.599 1.915 9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.736 0.439 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.622 -0.912 9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.231 -0.608 11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.943 0.360 12.177 1.00 0.00 H new ATOM 0 HE ARG A 30 8.986 -2.545 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.949 0.322 12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.575 -0.579 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.218 -3.696 12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.727 -2.845 13.117 1.00 0.00 H new ATOM 442 N LEU A 31 11.236 2.787 7.544 1.00 0.00 N ATOM 443 CA LEU A 31 11.738 4.103 7.162 1.00 0.00 C ATOM 444 C LEU A 31 11.530 4.354 5.672 1.00 0.00 C ATOM 445 O LEU A 31 10.965 5.374 5.279 1.00 0.00 O ATOM 446 CB LEU A 31 13.224 4.222 7.508 1.00 0.00 C ATOM 447 CG LEU A 31 13.621 3.790 8.920 1.00 0.00 C ATOM 448 CD1 LEU A 31 15.134 3.711 9.048 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.046 4.749 9.952 1.00 0.00 C ATOM 0 H LEU A 31 11.959 2.126 7.828 1.00 0.00 H new ATOM 0 HA LEU A 31 11.179 4.855 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.792 3.625 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.527 5.260 7.368 1.00 0.00 H new ATOM 0 HG LEU A 31 13.209 2.798 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.398 3.402 10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.522 2.985 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.568 4.689 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.338 4.426 10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.428 5.753 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.959 4.756 9.877 1.00 0.00 H new ATOM 461 N GLU A 32 11.988 3.416 4.849 1.00 0.00 N ATOM 462 CA GLU A 32 11.850 3.537 3.402 1.00 0.00 C ATOM 463 C GLU A 32 10.467 4.063 3.030 1.00 0.00 C ATOM 464 O GLU A 32 10.340 5.023 2.272 1.00 0.00 O ATOM 465 CB GLU A 32 12.091 2.183 2.730 1.00 0.00 C ATOM 466 CG GLU A 32 13.540 1.729 2.780 1.00 0.00 C ATOM 467 CD GLU A 32 13.767 0.425 2.039 1.00 0.00 C ATOM 468 OE1 GLU A 32 13.465 0.370 0.828 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.247 -0.541 2.670 1.00 0.00 O ATOM 0 H GLU A 32 12.457 2.565 5.159 1.00 0.00 H new ATOM 0 HA GLU A 32 12.597 4.248 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.466 1.431 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.773 2.242 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.175 2.503 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.844 1.610 3.820 1.00 0.00 H new ATOM 476 N ALA A 33 9.433 3.425 3.568 1.00 0.00 N ATOM 477 CA ALA A 33 8.059 3.829 3.295 1.00 0.00 C ATOM 478 C ALA A 33 7.828 5.286 3.682 1.00 0.00 C ATOM 479 O ALA A 33 7.491 6.116 2.838 1.00 0.00 O ATOM 480 CB ALA A 33 7.086 2.923 4.034 1.00 0.00 C ATOM 0 H ALA A 33 9.521 2.626 4.196 1.00 0.00 H new ATOM 0 HA ALA A 33 7.884 3.733 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.064 3.236 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.226 1.893 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.270 2.989 5.106 1.00 0.00 H new ATOM 486 N GLN A 34 8.010 5.588 4.964 1.00 0.00 N ATOM 487 CA GLN A 34 7.820 6.946 5.462 1.00 0.00 C ATOM 488 C GLN A 34 8.607 7.949 4.625 1.00 0.00 C ATOM 489 O GLN A 34 8.032 8.852 4.016 1.00 0.00 O ATOM 490 CB GLN A 34 8.249 7.038 6.927 1.00 0.00 C ATOM 491 CG GLN A 34 7.727 8.278 7.636 1.00 0.00 C ATOM 492 CD GLN A 34 8.534 9.520 7.310 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.605 9.742 7.874 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.022 10.336 6.396 1.00 0.00 N ATOM 0 H GLN A 34 8.288 4.912 5.675 1.00 0.00 H new ATOM 0 HA GLN A 34 6.760 7.190 5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.898 6.152 7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.338 7.031 6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.686 8.441 7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.744 8.110 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.130 10.112 5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.520 11.187 6.136 1.00 0.00 H new ATOM 503 N LEU A 35 9.925 7.784 4.599 1.00 0.00 N ATOM 504 CA LEU A 35 10.791 8.676 3.836 1.00 0.00 C ATOM 505 C LEU A 35 10.364 8.730 2.372 1.00 0.00 C ATOM 506 O LEU A 35 10.488 9.766 1.716 1.00 0.00 O ATOM 507 CB LEU A 35 12.246 8.215 3.938 1.00 0.00 C ATOM 508 CG LEU A 35 12.699 7.186 2.902 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.819 7.828 1.528 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.021 6.557 3.317 1.00 0.00 C ATOM 0 H LEU A 35 10.417 7.042 5.097 1.00 0.00 H new ATOM 0 HA LEU A 35 10.702 9.677 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.890 9.091 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.404 7.795 4.931 1.00 0.00 H new ATOM 0 HG LEU A 35 11.947 6.399 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.142 7.080 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.851 8.229 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.550 8.636 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.328 5.827 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.782 7.332 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.901 6.060 4.280 1.00 0.00 H new ATOM 522 N LEU A 36 9.861 7.609 1.866 1.00 0.00 N ATOM 523 CA LEU A 36 9.413 7.529 0.480 1.00 0.00 C ATOM 524 C LEU A 36 8.235 8.466 0.234 1.00 0.00 C ATOM 525 O LEU A 36 8.079 9.010 -0.860 1.00 0.00 O ATOM 526 CB LEU A 36 9.019 6.092 0.133 1.00 0.00 C ATOM 527 CG LEU A 36 10.138 5.202 -0.409 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.748 3.736 -0.308 1.00 0.00 C ATOM 529 CD2 LEU A 36 10.462 5.572 -1.850 1.00 0.00 C ATOM 0 H LEU A 36 9.753 6.743 2.395 1.00 0.00 H new ATOM 0 HA LEU A 36 10.238 7.837 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.610 5.623 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.218 6.124 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 36 11.031 5.362 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.556 3.117 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.565 3.479 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.843 3.559 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.260 4.929 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.574 5.440 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.784 6.612 -1.895 1.00 0.00 H new ATOM 541 N LEU A 37 7.409 8.651 1.258 1.00 0.00 N ATOM 542 CA LEU A 37 6.245 9.524 1.154 1.00 0.00 C ATOM 543 C LEU A 37 6.656 10.933 0.738 1.00 0.00 C ATOM 544 O LEU A 37 6.221 11.436 -0.297 1.00 0.00 O ATOM 545 CB LEU A 37 5.497 9.572 2.488 1.00 0.00 C ATOM 546 CG LEU A 37 5.051 8.224 3.055 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.342 8.414 4.386 1.00 0.00 C ATOM 548 CD2 LEU A 37 4.149 7.501 2.066 1.00 0.00 C ATOM 0 H LEU A 37 7.524 8.208 2.170 1.00 0.00 H new ATOM 0 HA LEU A 37 5.584 9.117 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.137 10.059 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.616 10.202 2.365 1.00 0.00 H new ATOM 0 HG LEU A 37 5.937 7.611 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.032 7.444 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.020 8.889 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.465 9.046 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.841 6.544 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.267 8.109 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.691 7.331 1.136 1.00 0.00 H new ATOM 560 N GLU A 38 7.499 11.563 1.551 1.00 0.00 N ATOM 561 CA GLU A 38 7.970 12.912 1.266 1.00 0.00 C ATOM 562 C GLU A 38 8.801 12.940 -0.014 1.00 0.00 C ATOM 563 O GLU A 38 8.780 13.920 -0.759 1.00 0.00 O ATOM 564 CB GLU A 38 8.799 13.445 2.437 1.00 0.00 C ATOM 565 CG GLU A 38 9.974 12.555 2.805 1.00 0.00 C ATOM 566 CD GLU A 38 10.994 13.266 3.674 1.00 0.00 C ATOM 567 OE1 GLU A 38 10.691 13.521 4.858 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.096 13.566 3.169 1.00 0.00 O ATOM 0 H GLU A 38 7.869 11.160 2.412 1.00 0.00 H new ATOM 0 HA GLU A 38 7.098 13.551 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.171 14.438 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.153 13.558 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.607 11.673 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.459 12.205 1.894 1.00 0.00 H new ATOM 575 N ARG A 39 9.533 11.858 -0.261 1.00 0.00 N ATOM 576 CA ARG A 39 10.372 11.758 -1.449 1.00 0.00 C ATOM 577 C ARG A 39 9.528 11.822 -2.718 1.00 0.00 C ATOM 578 O ARG A 39 9.749 12.673 -3.581 1.00 0.00 O ATOM 579 CB ARG A 39 11.176 10.456 -1.423 1.00 0.00 C ATOM 580 CG ARG A 39 12.504 10.575 -0.694 1.00 0.00 C ATOM 581 CD ARG A 39 13.496 9.524 -1.167 1.00 0.00 C ATOM 582 NE ARG A 39 14.831 9.745 -0.618 1.00 0.00 N ATOM 583 CZ ARG A 39 15.932 9.199 -1.121 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.858 8.405 -2.180 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.111 9.448 -0.565 1.00 0.00 N ATOM 0 H ARG A 39 9.562 11.039 0.346 1.00 0.00 H new ATOM 0 HA ARG A 39 11.061 12.603 -1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.578 9.679 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.361 10.133 -2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.921 11.569 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.342 10.468 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.143 8.535 -0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.545 9.536 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 39 14.923 10.352 0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.954 8.212 -2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.705 7.987 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.172 10.059 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.956 9.028 -0.952 1.00 0.00 H new ATOM 599 N TYR A 40 8.560 10.917 -2.825 1.00 0.00 N ATOM 600 CA TYR A 40 7.686 10.869 -3.991 1.00 0.00 C ATOM 601 C TYR A 40 6.271 11.311 -3.628 1.00 0.00 C ATOM 602 O TYR A 40 5.377 10.495 -3.399 1.00 0.00 O ATOM 603 CB TYR A 40 7.656 9.454 -4.574 1.00 0.00 C ATOM 604 CG TYR A 40 9.019 8.937 -4.976 1.00 0.00 C ATOM 605 CD1 TYR A 40 10.003 8.702 -4.023 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.323 8.684 -6.307 1.00 0.00 C ATOM 607 CE1 TYR A 40 11.250 8.230 -4.385 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.566 8.210 -6.679 1.00 0.00 C ATOM 609 CZ TYR A 40 11.526 7.985 -5.715 1.00 0.00 C ATOM 610 OH TYR A 40 12.767 7.514 -6.080 1.00 0.00 O ATOM 0 H TYR A 40 8.362 10.208 -2.119 1.00 0.00 H new ATOM 0 HA TYR A 40 8.082 11.555 -4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.222 8.776 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.001 9.442 -5.445 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.789 8.892 -2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.574 8.861 -7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.004 8.054 -3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.785 8.017 -7.719 1.00 0.00 H new ATOM 0 HH TYR A 40 12.798 7.393 -7.052 1.00 0.00 H new ATOM 620 N PRO A 41 6.061 12.634 -3.574 1.00 0.00 N ATOM 621 CA PRO A 41 4.758 13.217 -3.241 1.00 0.00 C ATOM 622 C PRO A 41 3.728 12.999 -4.344 1.00 0.00 C ATOM 623 O PRO A 41 2.574 12.669 -4.072 1.00 0.00 O ATOM 624 CB PRO A 41 5.066 14.708 -3.083 1.00 0.00 C ATOM 625 CG PRO A 41 6.280 14.934 -3.916 1.00 0.00 C ATOM 626 CD PRO A 41 7.081 13.664 -3.835 1.00 0.00 C ATOM 0 HA PRO A 41 4.323 12.762 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.233 15.323 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.248 14.966 -2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.009 15.159 -4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.855 15.782 -3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.621 13.469 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.823 13.707 -3.037 1.00 0.00 H new ATOM 634 N GLU A 42 4.152 13.188 -5.590 1.00 0.00 N ATOM 635 CA GLU A 42 3.264 13.012 -6.733 1.00 0.00 C ATOM 636 C GLU A 42 2.741 11.580 -6.801 1.00 0.00 C ATOM 637 O GLU A 42 1.545 11.353 -6.994 1.00 0.00 O ATOM 638 CB GLU A 42 3.994 13.362 -8.032 1.00 0.00 C ATOM 639 CG GLU A 42 5.233 12.517 -8.280 1.00 0.00 C ATOM 640 CD GLU A 42 6.085 13.051 -9.416 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.849 14.010 -9.184 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.986 12.508 -10.536 1.00 0.00 O ATOM 0 H GLU A 42 5.104 13.463 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 42 2.415 13.685 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.307 13.239 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.281 14.413 -8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.831 12.479 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.932 11.494 -8.506 1.00 0.00 H new ATOM 649 N CYS A 43 3.643 10.619 -6.641 1.00 0.00 N ATOM 650 CA CYS A 43 3.273 9.208 -6.685 1.00 0.00 C ATOM 651 C CYS A 43 2.087 8.928 -5.767 1.00 0.00 C ATOM 652 O CYS A 43 1.104 8.313 -6.176 1.00 0.00 O ATOM 653 CB CYS A 43 4.462 8.335 -6.283 1.00 0.00 C ATOM 654 SG CYS A 43 5.795 8.296 -7.503 1.00 0.00 S ATOM 0 H CYS A 43 4.636 10.790 -6.480 1.00 0.00 H new ATOM 0 HA CYS A 43 2.983 8.965 -7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.861 8.698 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.111 7.317 -6.112 1.00 0.00 H new ATOM 0 HG CYS A 43 6.756 7.534 -7.072 1.00 0.00 H new ATOM 660 N GLY A 44 2.189 9.383 -4.522 1.00 0.00 N ATOM 661 CA GLY A 44 1.119 9.171 -3.565 1.00 0.00 C ATOM 662 C GLY A 44 1.624 9.108 -2.136 1.00 0.00 C ATOM 663 O GLY A 44 2.818 9.259 -1.885 1.00 0.00 O ATOM 0 H GLY A 44 2.993 9.895 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.390 9.977 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.599 8.243 -3.805 1.00 0.00 H new ATOM 667 N ASN A 45 0.709 8.886 -1.197 1.00 0.00 N ATOM 668 CA ASN A 45 1.068 8.807 0.215 1.00 0.00 C ATOM 669 C ASN A 45 0.552 7.513 0.835 1.00 0.00 C ATOM 670 O ASN A 45 1.255 6.856 1.603 1.00 0.00 O ATOM 671 CB ASN A 45 0.503 10.010 0.973 1.00 0.00 C ATOM 672 CG ASN A 45 0.160 9.676 2.413 1.00 0.00 C ATOM 673 OD1 ASN A 45 1.000 9.178 3.163 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.078 9.949 2.804 1.00 0.00 N ATOM 0 H ASN A 45 -0.285 8.758 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 45 2.155 8.816 0.290 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.230 10.822 0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.391 10.370 0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.367 9.746 3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.741 10.362 2.148 1.00 0.00 H new ATOM 681 N LEU A 46 -0.682 7.151 0.496 1.00 0.00 N ATOM 682 CA LEU A 46 -1.293 5.934 1.019 1.00 0.00 C ATOM 683 C LEU A 46 -0.631 4.694 0.426 1.00 0.00 C ATOM 684 O LEU A 46 -0.981 4.253 -0.669 1.00 0.00 O ATOM 685 CB LEU A 46 -2.792 5.921 0.713 1.00 0.00 C ATOM 686 CG LEU A 46 -3.485 4.561 0.811 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.874 4.263 2.250 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.707 4.520 -0.095 1.00 0.00 C ATOM 0 H LEU A 46 -1.278 7.683 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.148 5.919 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.288 6.609 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.940 6.310 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.786 3.793 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.366 3.292 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.980 4.250 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.556 5.034 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.188 3.545 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.409 5.298 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.400 4.688 -1.127 1.00 0.00 H new ATOM 700 N LEU A 47 0.327 4.135 1.159 1.00 0.00 N ATOM 701 CA LEU A 47 1.037 2.944 0.706 1.00 0.00 C ATOM 702 C LEU A 47 0.792 1.772 1.653 1.00 0.00 C ATOM 703 O LEU A 47 0.126 1.918 2.679 1.00 0.00 O ATOM 704 CB LEU A 47 2.537 3.227 0.605 1.00 0.00 C ATOM 705 CG LEU A 47 3.322 3.163 1.916 1.00 0.00 C ATOM 706 CD1 LEU A 47 4.744 2.687 1.664 1.00 0.00 C ATOM 707 CD2 LEU A 47 3.325 4.522 2.603 1.00 0.00 C ATOM 0 H LEU A 47 0.629 4.487 2.067 1.00 0.00 H new ATOM 0 HA LEU A 47 0.657 2.677 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.975 2.513 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.671 4.219 0.173 1.00 0.00 H new ATOM 0 HG LEU A 47 2.833 2.446 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.287 2.648 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.721 1.693 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.244 3.378 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.888 4.458 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.789 5.260 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.300 4.823 2.819 1.00 0.00 H new ATOM 719 N LEU A 48 1.336 0.612 1.303 1.00 0.00 N ATOM 720 CA LEU A 48 1.179 -0.584 2.122 1.00 0.00 C ATOM 721 C LEU A 48 2.482 -1.376 2.185 1.00 0.00 C ATOM 722 O LEU A 48 2.943 -1.914 1.179 1.00 0.00 O ATOM 723 CB LEU A 48 0.061 -1.467 1.563 1.00 0.00 C ATOM 724 CG LEU A 48 -1.366 -0.975 1.807 1.00 0.00 C ATOM 725 CD1 LEU A 48 -1.793 -0.010 0.712 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.329 -2.151 1.888 1.00 0.00 C ATOM 0 H LEU A 48 1.890 0.474 0.457 1.00 0.00 H new ATOM 0 HA LEU A 48 0.916 -0.270 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.210 -1.571 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.160 -2.462 1.996 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.389 -0.445 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.811 0.329 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.121 0.848 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.754 -0.515 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.340 -1.782 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.302 -2.708 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.035 -2.806 2.708 1.00 0.00 H new ATOM 738 N ARG A 49 3.069 -1.444 3.375 1.00 0.00 N ATOM 739 CA ARG A 49 4.319 -2.170 3.571 1.00 0.00 C ATOM 740 C ARG A 49 4.075 -3.479 4.317 1.00 0.00 C ATOM 741 O ARG A 49 3.252 -3.558 5.230 1.00 0.00 O ATOM 742 CB ARG A 49 5.318 -1.309 4.344 1.00 0.00 C ATOM 743 CG ARG A 49 4.834 -0.906 5.727 1.00 0.00 C ATOM 744 CD ARG A 49 5.972 -0.366 6.581 1.00 0.00 C ATOM 745 NE ARG A 49 6.838 -1.433 7.076 1.00 0.00 N ATOM 746 CZ ARG A 49 6.583 -2.137 8.173 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.493 -1.889 8.886 1.00 0.00 N ATOM 748 NH2 ARG A 49 7.421 -3.091 8.560 1.00 0.00 N ATOM 0 H ARG A 49 2.699 -1.005 4.218 1.00 0.00 H new ATOM 0 HA ARG A 49 4.733 -2.402 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.256 -1.855 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.532 -0.409 3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.056 -0.148 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.384 -1.767 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.563 0.338 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.561 0.188 7.425 1.00 0.00 H new ATOM 0 HE ARG A 49 7.685 -1.649 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.847 -1.156 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.300 -2.431 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.261 -3.284 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.225 -3.631 9.403 1.00 0.00 H new ATOM 762 N PRO A 50 4.807 -4.531 3.921 1.00 0.00 N ATOM 763 CA PRO A 50 4.689 -5.855 4.538 1.00 0.00 C ATOM 764 C PRO A 50 5.240 -5.882 5.960 1.00 0.00 C ATOM 765 O PRO A 50 6.228 -5.216 6.266 1.00 0.00 O ATOM 766 CB PRO A 50 5.528 -6.749 3.622 1.00 0.00 C ATOM 767 CG PRO A 50 6.512 -5.828 2.990 1.00 0.00 C ATOM 768 CD PRO A 50 5.807 -4.508 2.840 1.00 0.00 C ATOM 0 HA PRO A 50 3.650 -6.172 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.028 -7.535 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.908 -7.240 2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.404 -5.726 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.837 -6.209 2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.496 -3.670 2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.338 -4.412 1.861 1.00 0.00 H new ATOM 776 N SER A 51 4.595 -6.659 6.825 1.00 0.00 N ATOM 777 CA SER A 51 5.018 -6.771 8.215 1.00 0.00 C ATOM 778 C SER A 51 5.911 -7.992 8.414 1.00 0.00 C ATOM 779 O SER A 51 5.824 -8.679 9.431 1.00 0.00 O ATOM 780 CB SER A 51 3.800 -6.860 9.136 1.00 0.00 C ATOM 781 OG SER A 51 3.150 -5.606 9.246 1.00 0.00 O ATOM 0 H SER A 51 3.777 -7.220 6.587 1.00 0.00 H new ATOM 0 HA SER A 51 5.590 -5.878 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.102 -7.602 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.111 -7.199 10.124 1.00 0.00 H new ATOM 0 HG SER A 51 2.374 -5.691 9.839 1.00 0.00 H new ATOM 835 N GLY A 57 0.764 -10.802 6.412 1.00 0.00 N ATOM 836 CA GLY A 57 0.045 -9.620 6.852 1.00 0.00 C ATOM 837 C GLY A 57 0.707 -8.335 6.396 1.00 0.00 C ATOM 838 O GLY A 57 1.933 -8.224 6.401 1.00 0.00 O ATOM 0 HA2 GLY A 57 -0.975 -9.655 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.023 -9.624 7.940 1.00 0.00 H new ATOM 842 N VAL A 58 -0.105 -7.361 5.998 1.00 0.00 N ATOM 843 CA VAL A 58 0.409 -6.077 5.536 1.00 0.00 C ATOM 844 C VAL A 58 -0.164 -4.928 6.358 1.00 0.00 C ATOM 845 O VAL A 58 -1.233 -5.051 6.955 1.00 0.00 O ATOM 846 CB VAL A 58 0.081 -5.843 4.049 1.00 0.00 C ATOM 847 CG1 VAL A 58 -1.424 -5.824 3.831 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.715 -4.550 3.562 1.00 0.00 C ATOM 0 H VAL A 58 -1.122 -7.437 5.986 1.00 0.00 H new ATOM 0 HA VAL A 58 1.491 -6.106 5.662 1.00 0.00 H new ATOM 0 HB VAL A 58 0.497 -6.666 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.637 -5.658 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.849 -6.779 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.867 -5.022 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.473 -4.400 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.330 -3.714 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.797 -4.608 3.681 1.00 0.00 H new ATOM 858 N SER A 59 0.556 -3.810 6.385 1.00 0.00 N ATOM 859 CA SER A 59 0.121 -2.639 7.137 1.00 0.00 C ATOM 860 C SER A 59 -0.061 -1.438 6.214 1.00 0.00 C ATOM 861 O SER A 59 0.654 -1.287 5.223 1.00 0.00 O ATOM 862 CB SER A 59 1.135 -2.305 8.232 1.00 0.00 C ATOM 863 OG SER A 59 0.839 -2.998 9.431 1.00 0.00 O ATOM 0 H SER A 59 1.443 -3.691 5.895 1.00 0.00 H new ATOM 0 HA SER A 59 -0.839 -2.870 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.138 -2.567 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.132 -1.231 8.419 1.00 0.00 H new ATOM 0 HG SER A 59 0.347 -2.406 10.038 1.00 0.00 H new ATOM 869 N VAL A 60 -1.026 -0.586 6.545 1.00 0.00 N ATOM 870 CA VAL A 60 -1.303 0.603 5.749 1.00 0.00 C ATOM 871 C VAL A 60 -0.687 1.845 6.381 1.00 0.00 C ATOM 872 O VAL A 60 -1.031 2.221 7.503 1.00 0.00 O ATOM 873 CB VAL A 60 -2.818 0.823 5.580 1.00 0.00 C ATOM 874 CG1 VAL A 60 -3.088 2.093 4.785 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.460 -0.382 4.908 1.00 0.00 C ATOM 0 H VAL A 60 -1.629 -0.698 7.360 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.855 0.439 4.769 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.263 0.939 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.164 2.232 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.663 2.948 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.631 2.009 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.530 -0.209 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.013 -0.532 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.298 -1.269 5.520 1.00 0.00 H new ATOM 885 N THR A 61 0.226 2.483 5.655 1.00 0.00 N ATOM 886 CA THR A 61 0.891 3.683 6.145 1.00 0.00 C ATOM 887 C THR A 61 0.426 4.920 5.384 1.00 0.00 C ATOM 888 O THR A 61 0.561 4.997 4.163 1.00 0.00 O ATOM 889 CB THR A 61 2.423 3.566 6.024 1.00 0.00 C ATOM 890 OG1 THR A 61 2.903 2.515 6.869 1.00 0.00 O ATOM 891 CG2 THR A 61 3.097 4.876 6.402 1.00 0.00 C ATOM 0 H THR A 61 0.522 2.188 4.725 1.00 0.00 H new ATOM 0 HA THR A 61 0.623 3.785 7.197 1.00 0.00 H new ATOM 0 HB THR A 61 2.667 3.336 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.877 2.447 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.178 4.769 6.309 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.752 5.668 5.737 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.845 5.131 7.431 1.00 0.00 H new ATOM 899 N THR A 62 -0.124 5.886 6.113 1.00 0.00 N ATOM 900 CA THR A 62 -0.611 7.118 5.507 1.00 0.00 C ATOM 901 C THR A 62 -0.239 8.331 6.353 1.00 0.00 C ATOM 902 O THR A 62 -0.280 8.278 7.582 1.00 0.00 O ATOM 903 CB THR A 62 -2.139 7.086 5.318 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.790 7.112 6.593 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.564 5.844 4.550 1.00 0.00 C ATOM 0 H THR A 62 -0.243 5.838 7.125 1.00 0.00 H new ATOM 0 HA THR A 62 -0.134 7.200 4.530 1.00 0.00 H new ATOM 0 HB THR A 62 -2.431 7.965 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.761 7.093 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.647 5.844 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.089 5.843 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.260 4.954 5.101 1.00 0.00 H new ATOM 913 N ARG A 63 0.122 9.423 5.687 1.00 0.00 N ATOM 914 CA ARG A 63 0.500 10.649 6.379 1.00 0.00 C ATOM 915 C ARG A 63 -0.346 11.827 5.902 1.00 0.00 C ATOM 916 O ARG A 63 -0.709 11.906 4.729 1.00 0.00 O ATOM 917 CB ARG A 63 1.983 10.950 6.154 1.00 0.00 C ATOM 918 CG ARG A 63 2.312 11.367 4.730 1.00 0.00 C ATOM 919 CD ARG A 63 3.531 12.273 4.681 1.00 0.00 C ATOM 920 NE ARG A 63 3.701 12.892 3.371 1.00 0.00 N ATOM 921 CZ ARG A 63 4.430 13.983 3.162 1.00 0.00 C ATOM 922 NH1 ARG A 63 5.053 14.572 4.174 1.00 0.00 N ATOM 923 NH2 ARG A 63 4.537 14.487 1.939 1.00 0.00 N ATOM 0 H ARG A 63 0.161 9.484 4.670 1.00 0.00 H new ATOM 0 HA ARG A 63 0.322 10.504 7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.291 11.743 6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.567 10.065 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.492 10.480 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.456 11.883 4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.435 13.050 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.422 11.695 4.927 1.00 0.00 H new ATOM 0 HE ARG A 63 3.235 12.464 2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.973 14.188 5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.612 15.409 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.059 14.037 1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.097 15.325 1.780 1.00 0.00 H new ATOM 937 N GLN A 64 -0.656 12.736 6.819 1.00 0.00 N ATOM 938 CA GLN A 64 -1.460 13.908 6.491 1.00 0.00 C ATOM 939 C GLN A 64 -0.958 15.139 7.240 1.00 0.00 C ATOM 940 O GLN A 64 -0.019 15.056 8.029 1.00 0.00 O ATOM 941 CB GLN A 64 -2.931 13.654 6.830 1.00 0.00 C ATOM 942 CG GLN A 64 -3.658 12.815 5.793 1.00 0.00 C ATOM 943 CD GLN A 64 -4.242 13.652 4.672 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.393 14.085 4.741 1.00 0.00 O ATOM 945 NE2 GLN A 64 -3.451 13.883 3.631 1.00 0.00 N ATOM 0 H GLN A 64 -0.363 12.684 7.795 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.368 14.094 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.991 13.154 7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.442 14.611 6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.967 12.084 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.458 12.256 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.504 13.504 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.790 14.439 2.846 1.00 0.00 H new ATOM 954 N MET A 65 -1.591 16.279 6.984 1.00 0.00 N ATOM 955 CA MET A 65 -1.210 17.527 7.634 1.00 0.00 C ATOM 956 C MET A 65 -2.258 17.950 8.658 1.00 0.00 C ATOM 957 O MET A 65 -3.325 18.448 8.298 1.00 0.00 O ATOM 958 CB MET A 65 -1.021 18.632 6.594 1.00 0.00 C ATOM 959 CG MET A 65 -0.815 20.010 7.201 1.00 0.00 C ATOM 960 SD MET A 65 0.195 21.083 6.163 1.00 0.00 S ATOM 961 CE MET A 65 1.614 21.343 7.224 1.00 0.00 C ATOM 0 H MET A 65 -2.370 16.364 6.331 1.00 0.00 H new ATOM 0 HA MET A 65 -0.266 17.362 8.154 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.162 18.388 5.968 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.894 18.658 5.941 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.785 20.479 7.366 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.342 19.905 8.177 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.377 21.901 6.681 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.311 21.908 8.106 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.019 20.379 7.532 1.00 0.00 H new ATOM 971 N HIS A 66 -1.948 17.748 9.935 1.00 0.00 N ATOM 972 CA HIS A 66 -2.863 18.109 11.010 1.00 0.00 C ATOM 973 C HIS A 66 -2.122 18.812 12.144 1.00 0.00 C ATOM 974 O HIS A 66 -1.114 18.313 12.642 1.00 0.00 O ATOM 975 CB HIS A 66 -3.572 16.864 11.545 1.00 0.00 C ATOM 976 CG HIS A 66 -4.940 17.141 12.090 1.00 0.00 C ATOM 977 ND1 HIS A 66 -6.025 16.324 11.848 1.00 0.00 N ATOM 978 CD2 HIS A 66 -5.395 18.150 12.868 1.00 0.00 C ATOM 979 CE1 HIS A 66 -7.089 16.821 12.454 1.00 0.00 C ATOM 980 NE2 HIS A 66 -6.734 17.928 13.081 1.00 0.00 N ATOM 0 H HIS A 66 -1.070 17.336 10.250 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.606 18.796 10.604 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.651 16.129 10.744 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.961 16.417 12.329 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.814 18.976 13.250 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.081 16.394 12.439 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.353 18.521 13.633 1.00 0.00 H new ATOM 989 N ASN A 67 -2.627 19.975 12.543 1.00 0.00 N ATOM 990 CA ASN A 67 -2.010 20.747 13.617 1.00 0.00 C ATOM 991 C ASN A 67 -0.716 21.399 13.142 1.00 0.00 C ATOM 992 O ASN A 67 0.186 21.661 13.936 1.00 0.00 O ATOM 993 CB ASN A 67 -1.730 19.849 14.823 1.00 0.00 C ATOM 994 CG ASN A 67 -1.495 20.644 16.093 1.00 0.00 C ATOM 995 OD1 ASN A 67 -1.502 21.875 16.078 1.00 0.00 O ATOM 996 ND2 ASN A 67 -1.287 19.941 17.200 1.00 0.00 N ATOM 0 H ASN A 67 -3.460 20.403 12.140 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.705 21.533 13.912 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.571 19.172 14.972 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.856 19.231 14.617 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.124 20.420 18.086 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.290 18.922 17.165 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.632 21.661 11.841 1.00 0.00 N ATOM 1004 CA GLY A 68 0.555 22.282 11.283 1.00 0.00 C ATOM 1005 C GLY A 68 1.807 21.463 11.530 1.00 0.00 C ATOM 1006 O GLY A 68 2.903 22.012 11.653 1.00 0.00 O ATOM 0 H GLY A 68 -1.366 21.454 11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.420 22.419 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.681 23.274 11.718 1.00 0.00 H new ATOM 1010 N THR A 69 1.646 20.145 11.604 1.00 0.00 N ATOM 1011 CA THR A 69 2.771 19.250 11.841 1.00 0.00 C ATOM 1012 C THR A 69 2.644 17.977 11.012 1.00 0.00 C ATOM 1013 O THR A 69 1.552 17.615 10.574 1.00 0.00 O ATOM 1014 CB THR A 69 2.884 18.872 13.329 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.237 18.520 13.643 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.962 17.710 13.665 1.00 0.00 C ATOM 0 H THR A 69 0.747 19.674 11.503 1.00 0.00 H new ATOM 0 HA THR A 69 3.671 19.787 11.542 1.00 0.00 H new ATOM 0 HB THR A 69 2.585 19.735 13.924 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.301 18.282 14.592 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.060 17.462 14.722 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.930 17.991 13.452 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.234 16.844 13.062 1.00 0.00 H new ATOM 1024 N HIS A 70 3.768 17.298 10.802 1.00 0.00 N ATOM 1025 CA HIS A 70 3.781 16.062 10.027 1.00 0.00 C ATOM 1026 C HIS A 70 3.393 14.871 10.898 1.00 0.00 C ATOM 1027 O HIS A 70 4.140 14.472 11.791 1.00 0.00 O ATOM 1028 CB HIS A 70 5.164 15.833 9.417 1.00 0.00 C ATOM 1029 CG HIS A 70 6.276 15.878 10.418 1.00 0.00 C ATOM 1030 ND1 HIS A 70 6.898 16.928 11.006 1.00 0.00 N flip ATOM 1031 CD2 HIS A 70 6.878 14.747 10.927 1.00 0.00 C flip ATOM 1032 CE1 HIS A 70 7.852 16.416 11.849 1.00 0.00 C flip ATOM 1033 NE2 HIS A 70 7.820 15.098 11.783 1.00 0.00 N flip ATOM 0 H HIS A 70 4.681 17.583 11.157 1.00 0.00 H new ATOM 0 HA HIS A 70 3.049 16.157 9.225 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.175 14.864 8.917 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.344 16.589 8.652 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.619 13.731 10.666 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.521 16.997 12.467 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.421 14.460 12.304 1.00 0.00 H new ATOM 1042 N VAL A 71 2.220 14.306 10.632 1.00 0.00 N ATOM 1043 CA VAL A 71 1.733 13.160 11.390 1.00 0.00 C ATOM 1044 C VAL A 71 1.716 11.901 10.532 1.00 0.00 C ATOM 1045 O VAL A 71 1.274 11.924 9.383 1.00 0.00 O ATOM 1046 CB VAL A 71 0.317 13.413 11.940 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.348 14.469 13.035 1.00 0.00 C ATOM 1048 CG2 VAL A 71 -0.626 13.824 10.818 1.00 0.00 C ATOM 0 H VAL A 71 1.589 14.624 9.896 1.00 0.00 H new ATOM 0 HA VAL A 71 2.419 13.017 12.225 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.055 12.485 12.375 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.662 14.633 13.411 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.987 14.130 13.850 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.741 15.402 12.630 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.622 13.999 11.225 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.259 14.738 10.351 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.673 13.030 10.073 1.00 0.00 H new ATOM 1058 N VAL A 72 2.199 10.799 11.097 1.00 0.00 N ATOM 1059 CA VAL A 72 2.239 9.527 10.385 1.00 0.00 C ATOM 1060 C VAL A 72 1.699 8.396 11.252 1.00 0.00 C ATOM 1061 O VAL A 72 2.259 8.083 12.303 1.00 0.00 O ATOM 1062 CB VAL A 72 3.671 9.179 9.937 1.00 0.00 C ATOM 1063 CG1 VAL A 72 3.693 7.842 9.214 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.236 10.282 9.056 1.00 0.00 C ATOM 0 H VAL A 72 2.569 10.762 12.047 1.00 0.00 H new ATOM 0 HA VAL A 72 1.608 9.637 9.503 1.00 0.00 H new ATOM 0 HB VAL A 72 4.301 9.096 10.823 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.713 7.612 8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.332 7.061 9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.050 7.893 8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.248 10.020 8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.608 10.400 8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.257 11.218 9.614 1.00 0.00 H new ATOM 1074 N ARG A 73 0.608 7.783 10.804 1.00 0.00 N ATOM 1075 CA ARG A 73 -0.008 6.686 11.538 1.00 0.00 C ATOM 1076 C ARG A 73 0.207 5.358 10.816 1.00 0.00 C ATOM 1077 O ARG A 73 0.125 5.287 9.590 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.506 6.942 11.720 1.00 0.00 C ATOM 1079 CG ARG A 73 -2.127 6.147 12.856 1.00 0.00 C ATOM 1080 CD ARG A 73 -1.687 6.676 14.213 1.00 0.00 C ATOM 1081 NE ARG A 73 -1.714 5.639 15.241 1.00 0.00 N ATOM 1082 CZ ARG A 73 -1.014 5.702 16.367 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -0.236 6.748 16.610 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -1.092 4.719 17.255 1.00 0.00 N ATOM 0 H ARG A 73 0.133 8.028 9.935 1.00 0.00 H new ATOM 0 HA ARG A 73 0.466 6.628 12.518 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.665 8.005 11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.023 6.698 10.792 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.214 6.192 12.782 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.845 5.098 12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.678 7.082 14.134 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.339 7.498 14.510 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.303 4.821 15.085 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.174 7.507 15.931 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.301 6.794 17.476 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.691 3.913 17.073 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.553 4.769 18.120 1.00 0.00 H new ATOM 1098 N HIS A 74 0.485 4.310 11.585 1.00 0.00 N ATOM 1099 CA HIS A 74 0.713 2.986 11.019 1.00 0.00 C ATOM 1100 C HIS A 74 -0.400 2.023 11.424 1.00 0.00 C ATOM 1101 O HIS A 74 -0.604 1.759 12.609 1.00 0.00 O ATOM 1102 CB HIS A 74 2.067 2.440 11.472 1.00 0.00 C ATOM 1103 CG HIS A 74 3.230 3.049 10.752 1.00 0.00 C ATOM 1104 ND1 HIS A 74 4.227 2.300 10.164 1.00 0.00 N ATOM 1105 CD2 HIS A 74 3.551 4.344 10.526 1.00 0.00 C ATOM 1106 CE1 HIS A 74 5.112 3.108 9.609 1.00 0.00 C ATOM 1107 NE2 HIS A 74 4.725 4.354 9.813 1.00 0.00 N ATOM 0 H HIS A 74 0.558 4.352 12.602 1.00 0.00 H new ATOM 0 HA HIS A 74 0.713 3.077 9.933 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.181 2.615 12.542 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.083 1.360 11.322 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.989 5.209 10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.001 2.802 9.078 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.218 5.188 9.493 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.114 1.502 10.433 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.208 0.571 10.687 1.00 0.00 C ATOM 1118 C TYR A 75 -1.806 -0.854 10.319 1.00 0.00 C ATOM 1119 O TYR A 75 -0.872 -1.069 9.546 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.451 0.983 9.896 1.00 0.00 C ATOM 1121 CG TYR A 75 -3.945 2.373 10.226 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.614 2.630 11.415 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -3.744 3.430 9.346 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -5.068 3.899 11.720 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.192 4.703 9.644 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.854 4.931 10.832 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.304 6.197 11.131 1.00 0.00 O ATOM 0 H TYR A 75 -0.956 1.708 9.447 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.438 0.601 11.752 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.228 0.929 8.830 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.249 0.267 10.091 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.783 1.824 12.114 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.229 3.253 8.413 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.588 4.081 12.649 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.025 5.514 8.951 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.071 6.808 10.401 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.520 -1.826 10.878 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.242 -3.232 10.610 1.00 0.00 C ATOM 1139 C LYS A 76 -3.448 -3.912 9.972 1.00 0.00 C ATOM 1140 O LYS A 76 -4.552 -3.367 9.968 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.860 -3.953 11.903 1.00 0.00 C ATOM 1142 CG LYS A 76 -0.370 -3.930 12.197 1.00 0.00 C ATOM 1143 CD LYS A 76 0.014 -4.985 13.221 1.00 0.00 C ATOM 1144 CE LYS A 76 0.161 -6.356 12.581 1.00 0.00 C ATOM 1145 NZ LYS A 76 0.561 -7.392 13.573 1.00 0.00 N ATOM 0 H LYS A 76 -3.296 -1.665 11.520 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.406 -3.285 9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.393 -3.494 12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.194 -4.989 11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.186 -4.098 11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.086 -2.944 12.565 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.952 -4.704 13.700 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.744 -5.027 14.003 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.783 -6.643 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.905 -6.308 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.651 -8.312 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.474 -7.132 13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.162 -7.457 14.318 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.232 -5.109 9.434 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.302 -5.866 8.796 1.00 0.00 C ATOM 1161 C VAL A 77 -4.331 -7.305 9.296 1.00 0.00 C ATOM 1162 O VAL A 77 -3.567 -8.152 8.831 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.150 -5.869 7.263 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.239 -6.714 6.620 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.176 -4.448 6.722 1.00 0.00 C ATOM 0 H VAL A 77 -2.325 -5.575 9.428 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.238 -5.374 9.060 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.186 -6.311 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.115 -6.704 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.167 -7.739 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.216 -6.305 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.067 -4.469 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.124 -3.977 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.356 -3.878 7.158 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.218 -7.577 10.247 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.350 -8.915 10.811 1.00 0.00 C ATOM 1177 C LYS A 78 -5.934 -9.882 9.788 1.00 0.00 C ATOM 1178 O LYS A 78 -6.559 -9.465 8.812 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.236 -8.879 12.059 1.00 0.00 C ATOM 1180 CG LYS A 78 -5.465 -8.637 13.346 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.368 -8.737 14.564 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.118 -7.437 14.808 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.265 -7.274 13.873 1.00 0.00 N ATOM 0 H LYS A 78 -5.857 -6.888 10.644 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.356 -9.265 11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.984 -8.095 11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.774 -9.824 12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.658 -9.364 13.430 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.003 -7.650 13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.081 -9.549 14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.771 -8.985 15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.481 -7.415 15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.434 -6.596 14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.076 -6.871 14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.993 -6.636 13.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.528 -8.201 13.482 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.729 -11.175 10.017 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.237 -12.202 9.115 1.00 0.00 C ATOM 1199 C ARG A 79 -7.338 -13.018 9.783 1.00 0.00 C ATOM 1200 O ARG A 79 -7.066 -13.867 10.631 1.00 0.00 O ATOM 1201 CB ARG A 79 -5.101 -13.125 8.668 1.00 0.00 C ATOM 1202 CG ARG A 79 -5.302 -13.711 7.280 1.00 0.00 C ATOM 1203 CD ARG A 79 -6.101 -15.004 7.331 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.920 -15.806 6.124 1.00 0.00 N ATOM 1205 CZ ARG A 79 -6.464 -17.005 5.950 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -7.221 -17.537 6.901 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -6.253 -17.675 4.824 1.00 0.00 N ATOM 0 H ARG A 79 -5.214 -11.537 10.820 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.658 -11.706 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.164 -12.569 8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.002 -13.939 9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.819 -12.987 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.332 -13.899 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.796 -15.585 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.159 -14.772 7.457 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.344 -15.424 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.386 -17.025 7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.638 -18.458 6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.672 -17.269 4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.672 -18.596 4.692 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.582 -12.754 9.395 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.724 -13.464 9.959 1.00 0.00 C ATOM 1223 C GLU A 80 -10.469 -14.242 8.878 1.00 0.00 C ATOM 1224 O GLU A 80 -11.448 -13.758 8.312 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.677 -12.481 10.642 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.481 -13.099 11.775 1.00 0.00 C ATOM 1227 CD GLU A 80 -10.686 -13.212 13.061 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -9.671 -13.942 13.069 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.076 -12.572 14.059 1.00 0.00 O ATOM 0 H GLU A 80 -8.824 -12.055 8.693 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.350 -14.171 10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.101 -11.642 11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.364 -12.078 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.371 -12.496 11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.822 -14.090 11.475 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.996 -15.453 8.597 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.627 -16.280 7.585 1.00 0.00 C ATOM 1238 C GLY A 81 -10.153 -15.944 6.185 1.00 0.00 C ATOM 1239 O GLY A 81 -9.062 -15.411 5.986 1.00 0.00 O ATOM 0 H GLY A 81 -9.187 -15.876 9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.417 -17.329 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.708 -16.154 7.639 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.986 -16.262 5.182 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.667 -16.001 3.776 1.00 0.00 C ATOM 1245 C PRO A 82 -10.679 -14.512 3.444 1.00 0.00 C ATOM 1246 O PRO A 82 -10.336 -14.110 2.333 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.783 -16.726 3.018 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.920 -16.778 3.978 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.303 -16.899 5.345 1.00 0.00 C ATOM 0 HA PRO A 82 -9.665 -16.342 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.057 -16.191 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.472 -17.727 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.534 -15.880 3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.570 -17.627 3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.903 -16.394 6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.210 -17.940 5.653 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.077 -13.699 4.416 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.133 -12.253 4.230 1.00 0.00 C ATOM 1259 C LYS A 83 -10.265 -11.537 5.261 1.00 0.00 C ATOM 1260 O LYS A 83 -9.785 -12.150 6.214 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.577 -11.761 4.331 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.305 -12.262 5.566 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.007 -11.396 6.780 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.109 -11.498 7.822 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.240 -12.881 8.359 1.00 0.00 N ATOM 0 H LYS A 83 -11.366 -14.016 5.341 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.747 -12.024 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.581 -10.671 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.123 -12.079 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.379 -12.270 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.010 -13.291 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.058 -11.701 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.895 -10.358 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.899 -10.809 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.056 -11.189 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.660 -12.846 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.851 -13.441 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.300 -13.323 8.412 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.072 -10.238 5.064 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.263 -9.440 5.978 1.00 0.00 C ATOM 1281 C TYR A 84 -10.099 -8.344 6.631 1.00 0.00 C ATOM 1282 O TYR A 84 -10.991 -7.771 6.005 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.079 -8.819 5.233 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.466 -9.736 4.199 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.204 -11.068 4.491 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.147 -9.268 2.930 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.644 -11.909 3.550 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.587 -10.103 1.982 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.337 -11.422 2.296 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.778 -12.256 1.355 1.00 0.00 O ATOM 0 H TYR A 84 -10.464 -9.715 4.281 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.887 -10.099 6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.409 -7.902 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.313 -8.537 5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.442 -11.453 5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.340 -8.235 2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.447 -12.942 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.346 -9.724 1.000 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.625 -11.757 0.526 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.803 -8.057 7.895 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.526 -7.029 8.635 1.00 0.00 C ATOM 1302 C VAL A 85 -9.579 -5.945 9.135 1.00 0.00 C ATOM 1303 O VAL A 85 -8.681 -6.211 9.936 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.283 -7.629 9.834 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -12.290 -8.668 9.366 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -10.307 -8.232 10.832 1.00 0.00 C ATOM 0 H VAL A 85 -9.068 -8.522 8.428 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.246 -6.588 7.945 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.830 -6.829 10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.815 -9.080 10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.009 -8.201 8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.769 -9.469 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.859 -8.651 11.673 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.731 -9.020 10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.630 -7.457 11.193 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.784 -4.721 8.660 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.950 -3.596 9.062 1.00 0.00 C ATOM 1318 C ILE A 86 -8.783 -3.547 10.576 1.00 0.00 C ATOM 1319 O ILE A 86 -9.617 -4.066 11.320 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.538 -2.258 8.577 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.682 -2.259 7.054 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.662 -1.099 9.031 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.501 -1.104 6.522 1.00 0.00 C ATOM 0 H ILE A 86 -10.521 -4.484 7.996 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.975 -3.745 8.597 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.528 -2.134 9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.690 -2.228 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.144 -3.195 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.091 -0.160 8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.607 -1.089 10.120 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.660 -1.217 8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.560 -1.170 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.505 -1.146 6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.028 -0.163 6.803 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.704 -2.919 11.028 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.429 -2.800 12.455 1.00 0.00 C ATOM 1337 C ASP A 87 -8.020 -1.510 13.016 1.00 0.00 C ATOM 1338 O ASP A 87 -7.357 -0.779 13.753 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.921 -2.838 12.711 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.582 -3.376 14.087 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.352 -4.212 14.603 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -4.546 -2.960 14.648 1.00 0.00 O ATOM 0 H ASP A 87 -7.005 -2.484 10.426 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.897 -3.644 12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.442 -3.458 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.512 -1.833 12.606 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.272 -1.236 12.661 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.953 -0.034 13.128 1.00 0.00 C ATOM 1349 C VAL A 88 -11.082 -0.382 14.091 1.00 0.00 C ATOM 1350 O VAL A 88 -11.267 -1.544 14.453 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.527 0.779 11.954 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.406 1.422 11.151 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.389 -0.104 11.065 1.00 0.00 C ATOM 0 H VAL A 88 -9.835 -1.830 12.052 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.209 0.570 13.647 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.155 1.573 12.358 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.831 1.993 10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.833 2.088 11.795 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.750 0.646 10.756 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.786 0.488 10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.785 -0.920 10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.214 -0.513 11.649 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.835 0.633 14.502 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.948 0.433 15.425 1.00 0.00 C ATOM 1365 C GLU A 89 -13.846 -0.707 14.955 1.00 0.00 C ATOM 1366 O GLU A 89 -14.145 -1.628 15.715 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.767 1.719 15.557 1.00 0.00 C ATOM 1368 CG GLU A 89 -12.971 2.893 16.102 1.00 0.00 C ATOM 1369 CD GLU A 89 -13.833 4.115 16.356 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.818 4.311 15.614 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -13.523 4.874 17.297 1.00 0.00 O ATOM 0 H GLU A 89 -11.696 1.601 14.212 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.536 0.171 16.399 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.169 1.986 14.580 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.618 1.532 16.212 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.484 2.597 17.031 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.181 3.150 15.396 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.271 -0.639 13.697 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.136 -1.665 13.127 1.00 0.00 C ATOM 1380 C GLN A 90 -14.368 -2.535 12.137 1.00 0.00 C ATOM 1381 O GLN A 90 -13.678 -2.041 11.245 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.338 -1.022 12.433 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.206 -0.192 13.365 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.033 0.842 12.628 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -17.875 2.045 12.839 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.920 0.379 11.755 1.00 0.00 N ATOM 0 H GLN A 90 -14.030 0.115 13.054 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.491 -2.298 13.940 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.982 -0.388 11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.948 -1.805 11.982 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.870 -0.853 13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.571 0.310 14.095 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.018 -0.626 11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.504 1.028 11.228 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.489 -3.861 12.296 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.813 -4.828 11.426 1.00 0.00 C ATOM 1397 C PRO A 91 -14.396 -4.846 10.017 1.00 0.00 C ATOM 1398 O PRO A 91 -15.281 -5.645 9.711 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.060 -6.167 12.124 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.309 -5.960 12.909 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.294 -4.519 13.339 1.00 0.00 C ATOM 0 HA PRO A 91 -12.758 -4.589 11.294 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.176 -6.975 11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.225 -6.436 12.771 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.190 -6.178 12.305 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.342 -6.625 13.772 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.301 -4.105 13.391 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.848 -4.399 14.326 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.894 -3.959 9.163 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.366 -3.874 7.785 1.00 0.00 C ATOM 1411 C PHE A 92 -13.833 -5.037 6.954 1.00 0.00 C ATOM 1412 O PHE A 92 -12.675 -5.035 6.537 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.939 -2.545 7.159 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.893 -2.577 5.658 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -12.738 -2.958 4.995 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -15.005 -2.225 4.911 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -12.694 -2.988 3.614 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -14.967 -2.253 3.529 1.00 0.00 C ATOM 1419 CZ PHE A 92 -13.811 -2.635 2.880 1.00 0.00 C ATOM 0 H PHE A 92 -13.162 -3.290 9.400 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.455 -3.929 7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.630 -1.764 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.954 -2.273 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.862 -3.235 5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.913 -1.925 5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.788 -3.287 3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -15.841 -1.976 2.958 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.779 -2.658 1.801 1.00 0.00 H new ATOM 1429 N SER A 93 -14.687 -6.027 6.717 1.00 0.00 N ATOM 1430 CA SER A 93 -14.301 -7.199 5.940 1.00 0.00 C ATOM 1431 C SER A 93 -14.457 -6.935 4.445 1.00 0.00 C ATOM 1432 O SER A 93 -15.277 -6.114 4.030 1.00 0.00 O ATOM 1433 CB SER A 93 -15.146 -8.407 6.345 1.00 0.00 C ATOM 1434 OG SER A 93 -16.509 -8.213 6.012 1.00 0.00 O ATOM 0 H SER A 93 -15.650 -6.041 7.052 1.00 0.00 H new ATOM 0 HA SER A 93 -13.252 -7.412 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.771 -9.300 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.052 -8.577 7.417 1.00 0.00 H new ATOM 0 HG SER A 93 -17.027 -9.001 6.280 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.665 -7.635 3.640 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.713 -7.475 2.191 1.00 0.00 C ATOM 1442 C CYS A 94 -13.311 -8.768 1.488 1.00 0.00 C ATOM 1443 O CYS A 94 -13.076 -9.791 2.133 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.795 -6.334 1.752 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.062 -6.563 2.211 1.00 0.00 S ATOM 0 H CYS A 94 -12.982 -8.319 3.966 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.738 -7.234 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.862 -6.224 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -13.156 -5.403 2.189 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.329 -6.588 1.138 1.00 0.00 H new ATOM 1451 N THR A 95 -13.234 -8.716 0.163 1.00 0.00 N ATOM 1452 CA THR A 95 -12.862 -9.882 -0.628 1.00 0.00 C ATOM 1453 C THR A 95 -11.347 -10.033 -0.708 1.00 0.00 C ATOM 1454 O THR A 95 -10.815 -11.133 -0.565 1.00 0.00 O ATOM 1455 CB THR A 95 -13.435 -9.799 -2.056 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.066 -10.965 -2.800 1.00 0.00 O ATOM 1457 CG2 THR A 95 -12.929 -8.554 -2.769 1.00 0.00 C ATOM 0 H THR A 95 -13.425 -7.878 -0.386 1.00 0.00 H new ATOM 0 HA THR A 95 -13.284 -10.752 -0.125 1.00 0.00 H new ATOM 0 HB THR A 95 -14.521 -9.743 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.435 -10.905 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.346 -8.516 -3.775 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.237 -7.667 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.841 -8.586 -2.828 1.00 0.00 H new ATOM 1465 N SER A 96 -10.657 -8.920 -0.937 1.00 0.00 N ATOM 1466 CA SER A 96 -9.203 -8.929 -1.040 1.00 0.00 C ATOM 1467 C SER A 96 -8.622 -7.581 -0.623 1.00 0.00 C ATOM 1468 O SER A 96 -9.351 -6.608 -0.435 1.00 0.00 O ATOM 1469 CB SER A 96 -8.773 -9.263 -2.469 1.00 0.00 C ATOM 1470 OG SER A 96 -8.735 -10.665 -2.675 1.00 0.00 O ATOM 0 H SER A 96 -11.082 -8.000 -1.055 1.00 0.00 H new ATOM 0 HA SER A 96 -8.820 -9.695 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.465 -8.807 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.789 -8.836 -2.665 1.00 0.00 H new ATOM 0 HG SER A 96 -9.306 -11.108 -2.014 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.301 -7.533 -0.482 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.618 -6.305 -0.088 1.00 0.00 C ATOM 1478 C LEU A 97 -7.126 -5.116 -0.898 1.00 0.00 C ATOM 1479 O LEU A 97 -7.375 -4.041 -0.352 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.107 -6.456 -0.274 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.355 -7.130 0.874 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -2.905 -7.377 0.487 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.436 -6.283 2.135 1.00 0.00 C ATOM 0 H LEU A 97 -6.682 -8.329 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.831 -6.121 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.928 -7.028 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.679 -5.466 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.825 -8.092 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.384 -7.857 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.867 -8.024 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.423 -6.427 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.895 -6.778 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.991 -5.306 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.480 -6.157 2.422 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.278 -5.317 -2.202 1.00 0.00 N ATOM 1496 CA ASP A 98 -7.759 -4.263 -3.088 1.00 0.00 C ATOM 1497 C ASP A 98 -8.831 -3.423 -2.401 1.00 0.00 C ATOM 1498 O ASP A 98 -8.687 -2.210 -2.259 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.315 -4.866 -4.379 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.116 -6.129 -4.130 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -10.267 -6.018 -3.657 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -8.593 -7.228 -4.409 1.00 0.00 O ATOM 0 H ASP A 98 -7.075 -6.201 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.917 -3.616 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.947 -4.131 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.491 -5.089 -5.057 1.00 0.00 H new ATOM 1507 N ALA A 99 -9.907 -4.079 -1.976 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.003 -3.393 -1.303 1.00 0.00 C ATOM 1509 C ALA A 99 -10.481 -2.445 -0.229 1.00 0.00 C ATOM 1510 O ALA A 99 -10.789 -1.253 -0.237 1.00 0.00 O ATOM 1511 CB ALA A 99 -11.964 -4.405 -0.696 1.00 0.00 C ATOM 0 H ALA A 99 -10.042 -5.084 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.538 -2.799 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.778 -3.880 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.371 -5.039 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.432 -5.023 0.028 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.689 -2.982 0.694 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.123 -2.183 1.774 1.00 0.00 C ATOM 1519 C VAL A 100 -8.678 -0.814 1.271 1.00 0.00 C ATOM 1520 O VAL A 100 -9.098 0.218 1.794 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.923 -2.893 2.428 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.322 -2.026 3.523 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.341 -4.248 2.979 1.00 0.00 C ATOM 0 H VAL A 100 -9.425 -3.967 0.715 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.909 -2.055 2.518 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.160 -3.056 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.475 -2.544 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.984 -1.082 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.075 -1.830 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.481 -4.736 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.122 -4.111 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.720 -4.869 2.168 1.00 0.00 H new ATOM 1533 N VAL A 101 -7.826 -0.814 0.251 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.325 0.428 -0.325 1.00 0.00 C ATOM 1535 C VAL A 101 -8.459 1.415 -0.575 1.00 0.00 C ATOM 1536 O VAL A 101 -8.381 2.578 -0.181 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.580 0.172 -1.650 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.103 1.483 -2.256 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.414 -0.779 -1.430 1.00 0.00 C ATOM 0 H VAL A 101 -7.468 -1.660 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.630 0.854 0.398 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.272 -0.294 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.579 1.283 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.961 2.127 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.427 1.980 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.899 -0.949 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.719 -0.343 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.786 -1.728 -1.044 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.513 0.944 -1.233 1.00 0.00 N ATOM 1550 CA ASN A 102 -10.665 1.786 -1.535 1.00 0.00 C ATOM 1551 C ASN A 102 -11.302 2.317 -0.255 1.00 0.00 C ATOM 1552 O ASN A 102 -11.638 3.498 -0.159 1.00 0.00 O ATOM 1553 CB ASN A 102 -11.699 1.000 -2.344 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.404 1.017 -3.832 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.532 2.050 -4.489 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.006 -0.130 -4.369 1.00 0.00 N ATOM 0 H ASN A 102 -9.593 -0.016 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.318 2.634 -2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.723 -0.032 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.689 1.420 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.792 -0.180 -5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.914 -0.962 -3.785 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.464 1.438 0.728 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.062 1.817 2.002 1.00 0.00 C ATOM 1565 C TYR A 103 -11.371 3.046 2.584 1.00 0.00 C ATOM 1566 O TYR A 103 -12.000 4.080 2.808 1.00 0.00 O ATOM 1567 CB TYR A 103 -11.981 0.656 2.994 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.628 0.952 4.328 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -13.996 0.793 4.510 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -11.871 1.391 5.407 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -14.592 1.063 5.727 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -12.458 1.662 6.628 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.819 1.497 6.783 1.00 0.00 C ATOM 1574 OH TYR A 103 -14.406 1.767 7.997 1.00 0.00 O ATOM 0 H TYR A 103 -11.189 0.458 0.666 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.109 2.061 1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.458 -0.220 2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.934 0.401 3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.605 0.452 3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -10.806 1.523 5.289 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.657 0.935 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -11.855 2.001 7.457 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.721 2.061 8.633 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.069 2.925 2.827 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.290 4.025 3.383 1.00 0.00 C ATOM 1586 C PHE A 104 -9.535 5.313 2.604 1.00 0.00 C ATOM 1587 O PHE A 104 -9.680 6.387 3.188 1.00 0.00 O ATOM 1588 CB PHE A 104 -7.799 3.681 3.366 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.344 2.923 4.580 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.903 1.695 4.895 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.360 3.439 5.407 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.488 0.995 6.013 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -5.940 2.744 6.525 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.504 1.520 6.828 1.00 0.00 C ATOM 0 H PHE A 104 -9.532 2.076 2.647 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.609 4.179 4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.581 3.091 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.223 4.603 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.672 1.280 4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.916 4.396 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.933 0.039 6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.171 3.157 7.161 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.176 0.974 7.701 1.00 0.00 H new ATOM 1604 N VAL A 105 -9.579 5.199 1.280 1.00 0.00 N ATOM 1605 CA VAL A 105 -9.806 6.353 0.420 1.00 0.00 C ATOM 1606 C VAL A 105 -11.076 7.097 0.821 1.00 0.00 C ATOM 1607 O VAL A 105 -11.075 8.321 0.955 1.00 0.00 O ATOM 1608 CB VAL A 105 -9.914 5.938 -1.060 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.222 7.146 -1.932 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -8.634 5.254 -1.515 1.00 0.00 C ATOM 0 H VAL A 105 -9.460 4.318 0.780 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.947 7.013 0.543 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.735 5.228 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.295 6.834 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.168 7.589 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.425 7.882 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.727 4.967 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.794 5.939 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.462 4.364 -0.909 1.00 0.00 H new ATOM 1620 N SER A 106 -12.158 6.348 1.013 1.00 0.00 N ATOM 1621 CA SER A 106 -13.435 6.936 1.397 1.00 0.00 C ATOM 1622 C SER A 106 -13.399 7.420 2.844 1.00 0.00 C ATOM 1623 O SER A 106 -13.734 8.568 3.135 1.00 0.00 O ATOM 1624 CB SER A 106 -14.563 5.919 1.217 1.00 0.00 C ATOM 1625 OG SER A 106 -15.819 6.565 1.103 1.00 0.00 O ATOM 0 H SER A 106 -12.175 5.333 0.909 1.00 0.00 H new ATOM 0 HA SER A 106 -13.620 7.793 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.377 5.319 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.578 5.234 2.065 1.00 0.00 H new ATOM 0 HG SER A 106 -16.523 5.893 0.987 1.00 0.00 H new ATOM 1631 N HIS A 107 -12.989 6.535 3.747 1.00 0.00 N ATOM 1632 CA HIS A 107 -12.906 6.870 5.164 1.00 0.00 C ATOM 1633 C HIS A 107 -12.249 8.233 5.363 1.00 0.00 C ATOM 1634 O HIS A 107 -12.768 9.087 6.082 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.122 5.797 5.920 1.00 0.00 C ATOM 1636 CG HIS A 107 -11.632 6.247 7.262 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -12.475 6.528 8.315 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -10.375 6.462 7.719 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -11.760 6.898 9.362 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -10.482 6.866 9.026 1.00 0.00 N ATOM 0 H HIS A 107 -12.709 5.580 3.523 1.00 0.00 H new ATOM 0 HA HIS A 107 -13.920 6.914 5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.755 4.919 6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.269 5.488 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.460 6.339 7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.153 7.179 10.328 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.702 7.103 9.639 1.00 0.00 H new ATOM 1649 N THR A 108 -11.101 8.429 4.722 1.00 0.00 N ATOM 1650 CA THR A 108 -10.371 9.687 4.829 1.00 0.00 C ATOM 1651 C THR A 108 -11.193 10.848 4.282 1.00 0.00 C ATOM 1652 O THR A 108 -11.604 10.840 3.121 1.00 0.00 O ATOM 1653 CB THR A 108 -9.028 9.623 4.076 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.234 9.122 2.750 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.038 8.733 4.811 1.00 0.00 C ATOM 0 H THR A 108 -10.657 7.733 4.123 1.00 0.00 H new ATOM 0 HA THR A 108 -10.177 9.851 5.889 1.00 0.00 H new ATOM 0 HB THR A 108 -8.617 10.631 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.321 8.146 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.098 8.703 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.862 9.132 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.444 7.725 4.890 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.429 11.848 5.124 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.201 13.019 4.725 1.00 0.00 C ATOM 1665 C LYS A 109 -11.595 13.673 3.488 1.00 0.00 C ATOM 1666 O LYS A 109 -12.298 14.311 2.704 1.00 0.00 O ATOM 1667 CB LYS A 109 -12.260 14.031 5.872 1.00 0.00 C ATOM 1668 CG LYS A 109 -10.893 14.509 6.332 1.00 0.00 C ATOM 1669 CD LYS A 109 -10.988 15.828 7.083 1.00 0.00 C ATOM 1670 CE LYS A 109 -11.126 17.003 6.128 1.00 0.00 C ATOM 1671 NZ LYS A 109 -9.856 17.281 5.402 1.00 0.00 N ATOM 0 H LYS A 109 -11.096 11.871 6.088 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.213 12.692 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.849 14.892 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.781 13.580 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.440 13.755 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.238 14.627 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.844 15.803 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.100 15.962 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.917 16.795 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.427 17.890 6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.583 18.274 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.106 16.659 5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.991 17.105 4.386 1.00 0.00 H new ATOM 1685 N LYS A 110 -10.289 13.509 3.316 1.00 0.00 N ATOM 1686 CA LYS A 110 -9.589 14.081 2.172 1.00 0.00 C ATOM 1687 C LYS A 110 -9.121 12.986 1.218 1.00 0.00 C ATOM 1688 O LYS A 110 -8.417 12.059 1.619 1.00 0.00 O ATOM 1689 CB LYS A 110 -8.391 14.908 2.642 1.00 0.00 C ATOM 1690 CG LYS A 110 -7.645 15.596 1.511 1.00 0.00 C ATOM 1691 CD LYS A 110 -6.367 16.254 2.004 1.00 0.00 C ATOM 1692 CE LYS A 110 -5.822 17.245 0.988 1.00 0.00 C ATOM 1693 NZ LYS A 110 -6.546 18.546 1.040 1.00 0.00 N ATOM 0 H LYS A 110 -9.692 12.984 3.955 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.284 14.730 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.736 15.662 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.700 14.258 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.405 14.868 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.289 16.347 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.561 16.767 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.617 15.489 2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.761 17.412 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.906 16.822 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.145 19.195 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.554 18.391 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.445 18.962 1.988 1.00 0.00 H new ATOM 1707 N ALA A 111 -9.514 13.101 -0.047 1.00 0.00 N ATOM 1708 CA ALA A 111 -9.131 12.123 -1.057 1.00 0.00 C ATOM 1709 C ALA A 111 -7.660 11.743 -0.926 1.00 0.00 C ATOM 1710 O ALA A 111 -6.778 12.472 -1.382 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.417 12.664 -2.451 1.00 0.00 C ATOM 0 H ALA A 111 -10.097 13.862 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.726 11.223 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.126 11.923 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.482 12.877 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.848 13.580 -2.609 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.403 10.600 -0.299 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.037 10.125 -0.107 1.00 0.00 C ATOM 1719 C LEU A 112 -5.524 9.421 -1.359 1.00 0.00 C ATOM 1720 O LEU A 112 -6.095 8.423 -1.800 1.00 0.00 O ATOM 1721 CB LEU A 112 -5.971 9.176 1.090 1.00 0.00 C ATOM 1722 CG LEU A 112 -4.648 9.155 1.858 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -4.438 10.468 2.595 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.616 7.985 2.831 1.00 0.00 C ATOM 0 H LEU A 112 -8.121 9.986 0.085 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.401 10.989 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.767 9.444 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.180 8.166 0.739 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.836 9.030 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.492 10.435 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.417 11.289 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.254 10.624 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.668 7.985 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.437 8.080 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.720 7.050 2.280 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.442 9.944 -1.926 1.00 0.00 N ATOM 1737 CA VAL A 113 -3.850 9.363 -3.125 1.00 0.00 C ATOM 1738 C VAL A 113 -2.960 8.174 -2.778 1.00 0.00 C ATOM 1739 O VAL A 113 -2.083 8.253 -1.919 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.019 10.402 -3.901 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -2.366 9.764 -5.117 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -3.889 11.581 -4.309 1.00 0.00 C ATOM 0 H VAL A 113 -3.957 10.770 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.675 9.025 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.229 10.772 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.783 10.514 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.709 8.956 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.137 9.365 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.286 12.306 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.702 11.231 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.303 12.053 -3.418 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.191 7.044 -3.462 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.420 5.816 -3.245 1.00 0.00 C ATOM 1754 C PRO A 114 -0.983 5.938 -3.740 1.00 0.00 C ATOM 1755 O PRO A 114 -0.705 6.657 -4.700 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.180 4.770 -4.063 1.00 0.00 C ATOM 1757 CG PRO A 114 -3.877 5.552 -5.123 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.221 6.877 -4.501 1.00 0.00 C ATOM 0 HA PRO A 114 -2.336 5.570 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.501 4.035 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.890 4.222 -3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.237 5.685 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.775 5.035 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.189 7.685 -5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.224 6.873 -4.075 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.071 5.233 -3.077 1.00 0.00 N ATOM 1767 CA PHE A 115 1.338 5.263 -3.450 1.00 0.00 C ATOM 1768 C PHE A 115 1.691 4.074 -4.339 1.00 0.00 C ATOM 1769 O PHE A 115 1.709 2.930 -3.885 1.00 0.00 O ATOM 1770 CB PHE A 115 2.218 5.259 -2.199 1.00 0.00 C ATOM 1771 CG PHE A 115 3.655 5.599 -2.476 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.418 4.807 -3.318 1.00 0.00 C ATOM 1773 CD2 PHE A 115 4.242 6.710 -1.893 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.740 5.117 -3.574 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.564 7.026 -2.145 1.00 0.00 C ATOM 1776 CZ PHE A 115 6.313 6.228 -2.987 1.00 0.00 C ATOM 0 H PHE A 115 -0.283 4.634 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 115 1.521 6.180 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.816 5.973 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 115 2.169 4.275 -1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.975 3.937 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.660 7.337 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.324 4.491 -4.232 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.010 7.895 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.346 6.472 -3.186 1.00 0.00 H new ATOM 1786 N LEU A 116 1.972 4.354 -5.607 1.00 0.00 N ATOM 1787 CA LEU A 116 2.324 3.308 -6.560 1.00 0.00 C ATOM 1788 C LEU A 116 3.620 3.651 -7.290 1.00 0.00 C ATOM 1789 O LEU A 116 3.777 4.755 -7.813 1.00 0.00 O ATOM 1790 CB LEU A 116 1.193 3.111 -7.572 1.00 0.00 C ATOM 1791 CG LEU A 116 1.522 2.238 -8.784 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.765 0.799 -8.356 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.402 2.309 -9.812 1.00 0.00 C ATOM 0 H LEU A 116 1.963 5.296 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 116 2.474 2.381 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.341 2.672 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.878 4.091 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 116 2.435 2.617 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.998 0.193 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.601 0.763 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.871 0.408 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.653 1.682 -10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.527 1.956 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.276 3.340 -10.142 1.00 0.00 H new ATOM 1805 N LEU A 117 4.544 2.697 -7.322 1.00 0.00 N ATOM 1806 CA LEU A 117 5.826 2.896 -7.989 1.00 0.00 C ATOM 1807 C LEU A 117 6.026 1.872 -9.101 1.00 0.00 C ATOM 1808 O LEU A 117 6.289 0.698 -8.836 1.00 0.00 O ATOM 1809 CB LEU A 117 6.970 2.800 -6.979 1.00 0.00 C ATOM 1810 CG LEU A 117 8.257 3.537 -7.350 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.994 3.987 -6.097 1.00 0.00 C ATOM 1812 CD2 LEU A 117 9.150 2.653 -8.208 1.00 0.00 C ATOM 0 H LEU A 117 4.429 1.778 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 117 5.825 3.891 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.617 3.186 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.208 1.747 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 117 7.993 4.422 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.908 4.510 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.356 4.657 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.247 3.117 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.061 3.194 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.407 1.750 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.622 2.381 -9.122 1.00 0.00 H new ATOM 1824 N ASP A 118 5.903 2.323 -10.344 1.00 0.00 N ATOM 1825 CA ASP A 118 6.073 1.446 -11.497 1.00 0.00 C ATOM 1826 C ASP A 118 7.409 0.712 -11.429 1.00 0.00 C ATOM 1827 O ASP A 118 8.459 1.289 -11.713 1.00 0.00 O ATOM 1828 CB ASP A 118 5.985 2.250 -12.794 1.00 0.00 C ATOM 1829 CG ASP A 118 6.360 1.429 -14.012 1.00 0.00 C ATOM 1830 OD1 ASP A 118 5.912 0.266 -14.105 1.00 0.00 O ATOM 1831 OD2 ASP A 118 7.100 1.947 -14.873 1.00 0.00 O ATOM 0 H ASP A 118 5.686 3.291 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 118 5.271 0.708 -11.482 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.970 2.630 -12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.644 3.116 -12.726 1.00 0.00 H new