USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 154:sc= -0.26 (180deg=-0.745) USER MOD Set 1.2: A 89 MET CE :methyl 150:sc= -0.0422 (180deg=-0.0263) USER MOD Single : A 15 SER OG : rot -26:sc= -0.0394 USER MOD Single : A 17 LYS NZ :NH3+ -109:sc= 0.304 (180deg=-0.405) USER MOD Single : A 20 ASN : amide:sc= 0.889 K(o=0.89,f=-6.5!) USER MOD Single : A 22 THR OG1 : rot -45:sc= 0.858 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0.173 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.395 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -87:sc= 0.0906 USER MOD Single : A 44 TYR OH : rot 76:sc= 1.29 USER MOD Single : A 63 HIS : no HD1:sc= -2.64 K(o=-2.6,f=-8.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -167:sc= -0.863 (180deg=-1.29) USER MOD Single : A 88 GLN : amide:sc= 0.584 K(o=0.58,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.481 6.609 5.113 1.00 0.00 N ATOM 204 CA SER A 15 10.203 6.567 4.424 1.00 0.00 C ATOM 205 C SER A 15 9.843 5.130 4.070 1.00 0.00 C ATOM 206 O SER A 15 10.731 4.310 3.831 1.00 0.00 O ATOM 207 CB SER A 15 10.277 7.442 3.175 1.00 0.00 C ATOM 208 OG SER A 15 11.417 7.103 2.414 1.00 0.00 O ATOM 0 HA SER A 15 9.420 6.953 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.377 7.310 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.319 8.493 3.460 1.00 0.00 H new ATOM 0 HG SER A 15 12.101 6.720 3.002 1.00 0.00 H new ATOM 214 N LEU A 16 8.540 4.821 4.032 1.00 0.00 N ATOM 215 CA LEU A 16 8.108 3.431 3.856 1.00 0.00 C ATOM 216 C LEU A 16 7.124 3.249 2.711 1.00 0.00 C ATOM 217 O LEU A 16 6.006 3.747 2.779 1.00 0.00 O ATOM 218 CB LEU A 16 7.527 2.958 5.189 1.00 0.00 C ATOM 219 CG LEU A 16 7.139 1.481 5.292 1.00 0.00 C ATOM 220 CD1 LEU A 16 5.726 1.235 4.771 1.00 0.00 C ATOM 221 CD2 LEU A 16 8.150 0.592 4.584 1.00 0.00 C ATOM 0 H LEU A 16 7.783 5.499 4.119 1.00 0.00 H new ATOM 0 HA LEU A 16 8.967 2.822 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.255 3.172 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.642 3.557 5.405 1.00 0.00 H new ATOM 0 HG LEU A 16 7.148 1.216 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.485 0.176 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.016 1.819 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.667 1.534 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.845 -0.450 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.198 0.864 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.132 0.724 5.038 1.00 0.00 H new ATOM 233 N LYS A 17 7.561 2.530 1.668 1.00 0.00 N ATOM 234 CA LYS A 17 6.853 2.378 0.406 1.00 0.00 C ATOM 235 C LYS A 17 6.059 1.086 0.423 1.00 0.00 C ATOM 236 O LYS A 17 6.502 0.066 0.948 1.00 0.00 O ATOM 237 CB LYS A 17 7.854 2.455 -0.758 1.00 0.00 C ATOM 238 CG LYS A 17 7.427 1.747 -2.040 1.00 0.00 C ATOM 239 CD LYS A 17 6.338 2.539 -2.757 1.00 0.00 C ATOM 240 CE LYS A 17 5.874 1.819 -4.015 1.00 0.00 C ATOM 241 NZ LYS A 17 6.979 1.616 -4.969 1.00 0.00 N ATOM 0 H LYS A 17 8.447 2.025 1.688 1.00 0.00 H new ATOM 0 HA LYS A 17 6.139 3.189 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.038 3.505 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.802 2.030 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.288 1.625 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.061 0.747 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.492 2.688 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.716 3.528 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.446 0.854 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.083 2.396 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.847 2.239 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.883 1.841 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.988 0.625 -5.284 1.00 0.00 H new ATOM 255 N VAL A 18 4.865 1.146 -0.165 1.00 0.00 N ATOM 256 CA VAL A 18 4.010 -0.021 -0.316 1.00 0.00 C ATOM 257 C VAL A 18 3.570 -0.140 -1.757 1.00 0.00 C ATOM 258 O VAL A 18 3.261 0.885 -2.366 1.00 0.00 O ATOM 259 CB VAL A 18 2.785 0.168 0.558 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.645 -0.760 0.140 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.136 -0.050 2.020 1.00 0.00 C ATOM 0 H VAL A 18 4.468 2.004 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 18 4.552 -0.921 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 18 2.442 1.194 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.785 -0.595 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.365 -0.551 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.970 -1.797 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.245 0.090 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.515 -1.063 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.900 0.667 2.322 1.00 0.00 H new ATOM 271 N ASP A 19 3.561 -1.399 -2.231 1.00 0.00 N ATOM 272 CA ASP A 19 3.368 -1.856 -3.601 1.00 0.00 C ATOM 273 C ASP A 19 2.342 -2.996 -3.678 1.00 0.00 C ATOM 274 O ASP A 19 1.815 -3.441 -2.660 1.00 0.00 O ATOM 275 CB ASP A 19 4.703 -2.408 -4.136 1.00 0.00 C ATOM 276 CG ASP A 19 5.789 -1.367 -4.334 1.00 0.00 C ATOM 277 OD1 ASP A 19 5.823 -0.785 -5.441 1.00 0.00 O ATOM 278 OD2 ASP A 19 6.578 -1.159 -3.385 1.00 0.00 O ATOM 0 H ASP A 19 3.702 -2.187 -1.599 1.00 0.00 H new ATOM 0 HA ASP A 19 3.011 -1.008 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.069 -3.167 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.519 -2.906 -5.088 1.00 0.00 H new ATOM 283 N ASN A 20 2.083 -3.455 -4.908 1.00 0.00 N ATOM 284 CA ASN A 20 1.185 -4.544 -5.277 1.00 0.00 C ATOM 285 C ASN A 20 -0.286 -4.235 -5.019 1.00 0.00 C ATOM 286 O ASN A 20 -0.714 -4.130 -3.874 1.00 0.00 O ATOM 287 CB ASN A 20 1.615 -5.864 -4.638 1.00 0.00 C ATOM 288 CG ASN A 20 1.060 -7.031 -5.444 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.850 -6.928 -6.649 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.813 -8.160 -4.793 1.00 0.00 N ATOM 0 H ASN A 20 2.530 -3.042 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 20 1.272 -4.654 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.703 -5.922 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.255 -5.916 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.440 -8.967 -5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.996 -8.222 -3.791 1.00 0.00 H new ATOM 297 N LEU A 21 -1.055 -4.093 -6.103 1.00 0.00 N ATOM 298 CA LEU A 21 -2.472 -3.770 -6.050 1.00 0.00 C ATOM 299 C LEU A 21 -3.267 -4.614 -7.037 1.00 0.00 C ATOM 300 O LEU A 21 -2.697 -5.308 -7.878 1.00 0.00 O ATOM 301 CB LEU A 21 -2.708 -2.314 -6.462 1.00 0.00 C ATOM 302 CG LEU A 21 -1.819 -1.306 -5.752 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.162 0.063 -6.325 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.021 -1.311 -4.245 1.00 0.00 C ATOM 0 H LEU A 21 -0.699 -4.202 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.792 -3.957 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.551 -2.224 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.750 -2.059 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.773 -1.564 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.547 0.823 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.971 0.067 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.215 0.280 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.362 -0.573 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.058 -1.064 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.788 -2.300 -3.850 1.00 0.00 H new ATOM 316 N THR A 22 -4.591 -4.540 -6.925 1.00 0.00 N ATOM 317 CA THR A 22 -5.516 -5.204 -7.827 1.00 0.00 C ATOM 318 C THR A 22 -6.406 -4.162 -8.490 1.00 0.00 C ATOM 319 O THR A 22 -7.580 -4.428 -8.722 1.00 0.00 O ATOM 320 CB THR A 22 -6.328 -6.276 -7.091 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.183 -6.942 -7.991 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.150 -5.705 -5.936 1.00 0.00 C ATOM 0 H THR A 22 -5.055 -4.006 -6.190 1.00 0.00 H new ATOM 0 HA THR A 22 -4.957 -5.722 -8.606 1.00 0.00 H new ATOM 0 HB THR A 22 -5.609 -6.977 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.627 -6.285 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.704 -6.509 -5.452 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.484 -5.236 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.849 -4.962 -6.320 1.00 0.00 H new ATOM 329 N TYR A 23 -5.851 -2.981 -8.790 1.00 0.00 N ATOM 330 CA TYR A 23 -6.534 -1.880 -9.470 1.00 0.00 C ATOM 331 C TYR A 23 -7.736 -1.325 -8.702 1.00 0.00 C ATOM 332 O TYR A 23 -8.308 -0.306 -9.083 1.00 0.00 O ATOM 333 CB TYR A 23 -6.900 -2.310 -10.893 1.00 0.00 C ATOM 334 CG TYR A 23 -8.363 -2.167 -11.269 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.307 -3.102 -10.816 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.769 -1.082 -12.058 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.662 -2.956 -11.152 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.123 -0.932 -12.405 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.072 -1.868 -11.952 1.00 0.00 C ATOM 340 OH TYR A 23 -12.385 -1.730 -12.285 1.00 0.00 O ATOM 0 H TYR A 23 -4.883 -2.761 -8.557 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.838 -1.043 -9.516 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.305 -1.724 -11.594 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.611 -3.353 -11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.990 -3.936 -10.207 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.041 -0.361 -12.400 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.388 -3.674 -10.800 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.435 -0.100 -13.018 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.500 -0.929 -12.838 1.00 0.00 H new ATOM 350 N ARG A 24 -8.117 -1.997 -7.615 1.00 0.00 N ATOM 351 CA ARG A 24 -9.266 -1.635 -6.795 1.00 0.00 C ATOM 352 C ARG A 24 -8.872 -1.582 -5.322 1.00 0.00 C ATOM 353 O ARG A 24 -9.715 -1.378 -4.449 1.00 0.00 O ATOM 354 CB ARG A 24 -10.371 -2.648 -7.107 1.00 0.00 C ATOM 355 CG ARG A 24 -11.676 -2.375 -6.359 1.00 0.00 C ATOM 356 CD ARG A 24 -12.777 -3.271 -6.923 1.00 0.00 C ATOM 357 NE ARG A 24 -14.044 -3.050 -6.215 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.178 -3.697 -6.493 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.224 -4.601 -7.467 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.275 -3.442 -5.788 1.00 0.00 N ATOM 0 H ARG A 24 -7.624 -2.823 -7.276 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.637 -0.636 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.567 -2.641 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.019 -3.648 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.545 -2.566 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.956 -1.327 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.909 -3.067 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.483 -4.317 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.059 -2.359 -5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.387 -4.807 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.097 -5.089 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.249 -2.753 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.143 -3.935 -5.999 1.00 0.00 H new ATOM 374 N THR A 25 -7.581 -1.766 -5.039 1.00 0.00 N ATOM 375 CA THR A 25 -7.060 -1.653 -3.682 1.00 0.00 C ATOM 376 C THR A 25 -7.280 -0.242 -3.139 1.00 0.00 C ATOM 377 O THR A 25 -7.693 -0.078 -1.995 1.00 0.00 O ATOM 378 CB THR A 25 -5.565 -1.969 -3.699 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.344 -3.258 -4.222 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.998 -1.872 -2.291 1.00 0.00 C ATOM 0 H THR A 25 -6.876 -1.995 -5.739 1.00 0.00 H new ATOM 0 HA THR A 25 -7.585 -2.357 -3.036 1.00 0.00 H new ATOM 0 HB THR A 25 -5.060 -1.243 -4.336 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.637 -3.702 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.932 -2.099 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.147 -0.863 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.508 -2.585 -1.643 1.00 0.00 H new ATOM 387 N SER A 26 -7.002 0.763 -3.977 1.00 0.00 N ATOM 388 CA SER A 26 -7.146 2.190 -3.700 1.00 0.00 C ATOM 389 C SER A 26 -6.358 2.715 -2.493 1.00 0.00 C ATOM 390 O SER A 26 -6.076 1.986 -1.549 1.00 0.00 O ATOM 391 CB SER A 26 -8.635 2.536 -3.580 1.00 0.00 C ATOM 392 OG SER A 26 -9.294 2.238 -4.794 1.00 0.00 O ATOM 0 H SER A 26 -6.651 0.589 -4.919 1.00 0.00 H new ATOM 0 HA SER A 26 -6.695 2.704 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.084 1.971 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.754 3.593 -3.340 1.00 0.00 H new ATOM 0 HG SER A 26 -10.245 2.459 -4.713 1.00 0.00 H new ATOM 398 N PRO A 27 -5.998 4.009 -2.517 1.00 0.00 N ATOM 399 CA PRO A 27 -5.239 4.681 -1.461 1.00 0.00 C ATOM 400 C PRO A 27 -5.997 4.748 -0.143 1.00 0.00 C ATOM 401 O PRO A 27 -5.372 4.789 0.914 1.00 0.00 O ATOM 402 CB PRO A 27 -4.948 6.086 -1.989 1.00 0.00 C ATOM 403 CG PRO A 27 -5.974 6.313 -3.097 1.00 0.00 C ATOM 404 CD PRO A 27 -6.288 4.917 -3.613 1.00 0.00 C ATOM 0 HA PRO A 27 -4.328 4.125 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.047 6.832 -1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.930 6.161 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.868 6.806 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.572 6.948 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.332 4.840 -3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.682 4.679 -4.487 1.00 0.00 H new ATOM 412 N ASP A 28 -7.331 4.762 -0.176 1.00 0.00 N ATOM 413 CA ASP A 28 -8.110 4.881 1.047 1.00 0.00 C ATOM 414 C ASP A 28 -8.031 3.608 1.880 1.00 0.00 C ATOM 415 O ASP A 28 -7.888 3.680 3.103 1.00 0.00 O ATOM 416 CB ASP A 28 -9.566 5.130 0.685 1.00 0.00 C ATOM 417 CG ASP A 28 -10.411 5.406 1.928 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.925 4.424 2.508 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.536 6.597 2.286 1.00 0.00 O ATOM 0 H ASP A 28 -7.885 4.693 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.704 5.708 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.633 5.977 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.965 4.263 0.157 1.00 0.00 H new ATOM 424 N THR A 29 -8.117 2.444 1.229 1.00 0.00 N ATOM 425 CA THR A 29 -8.062 1.189 1.952 1.00 0.00 C ATOM 426 C THR A 29 -6.681 1.063 2.555 1.00 0.00 C ATOM 427 O THR A 29 -6.545 0.663 3.704 1.00 0.00 O ATOM 428 CB THR A 29 -8.312 0.017 1.006 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.477 0.261 0.249 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.504 -1.280 1.789 1.00 0.00 C ATOM 0 H THR A 29 -8.223 2.354 0.219 1.00 0.00 H new ATOM 0 HA THR A 29 -8.828 1.173 2.727 1.00 0.00 H new ATOM 0 HB THR A 29 -7.446 -0.083 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.256 0.244 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.681 -2.101 1.095 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.609 -1.487 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.360 -1.179 2.457 1.00 0.00 H new ATOM 437 N LEU A 30 -5.656 1.407 1.775 1.00 0.00 N ATOM 438 CA LEU A 30 -4.284 1.347 2.233 1.00 0.00 C ATOM 439 C LEU A 30 -4.085 2.300 3.405 1.00 0.00 C ATOM 440 O LEU A 30 -3.330 1.993 4.320 1.00 0.00 O ATOM 441 CB LEU A 30 -3.362 1.741 1.081 1.00 0.00 C ATOM 442 CG LEU A 30 -3.435 0.755 -0.088 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.847 1.421 -1.327 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.644 -0.514 0.226 1.00 0.00 C ATOM 0 H LEU A 30 -5.761 1.732 0.814 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.050 0.335 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.630 2.738 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.335 1.796 1.443 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.476 0.481 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.893 0.729 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.419 2.318 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.809 1.692 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.709 -1.201 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.600 -0.257 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.058 -0.990 1.115 1.00 0.00 H new ATOM 456 N ARG A 31 -4.753 3.459 3.387 1.00 0.00 N ATOM 457 CA ARG A 31 -4.568 4.462 4.420 1.00 0.00 C ATOM 458 C ARG A 31 -4.881 3.875 5.786 1.00 0.00 C ATOM 459 O ARG A 31 -4.041 3.897 6.680 1.00 0.00 O ATOM 460 CB ARG A 31 -5.479 5.666 4.132 1.00 0.00 C ATOM 461 CG ARG A 31 -4.928 6.988 4.681 1.00 0.00 C ATOM 462 CD ARG A 31 -4.464 6.885 6.131 1.00 0.00 C ATOM 463 NE ARG A 31 -4.074 8.201 6.649 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.824 8.958 7.458 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.030 8.556 7.854 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.366 10.134 7.877 1.00 0.00 N ATOM 0 H ARG A 31 -5.425 3.718 2.664 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.529 4.792 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.619 5.758 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.462 5.482 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.093 7.313 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.698 7.755 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.264 6.470 6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.621 6.198 6.200 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.163 8.566 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.396 7.657 7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.587 9.147 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.445 10.457 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.936 10.713 8.494 1.00 0.00 H new ATOM 480 N ARG A 32 -6.094 3.340 5.949 1.00 0.00 N ATOM 481 CA ARG A 32 -6.532 2.783 7.229 1.00 0.00 C ATOM 482 C ARG A 32 -6.022 1.362 7.455 1.00 0.00 C ATOM 483 O ARG A 32 -6.248 0.795 8.522 1.00 0.00 O ATOM 484 CB ARG A 32 -8.060 2.840 7.273 1.00 0.00 C ATOM 485 CG ARG A 32 -8.668 1.938 6.195 1.00 0.00 C ATOM 486 CD ARG A 32 -9.879 2.609 5.550 1.00 0.00 C ATOM 487 NE ARG A 32 -10.951 2.849 6.519 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.042 3.570 6.256 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.227 4.130 5.063 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.965 3.740 7.197 1.00 0.00 N ATOM 0 H ARG A 32 -6.791 3.281 5.207 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.108 3.378 8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.412 2.528 8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.395 3.867 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.920 1.718 5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.965 0.986 6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.575 3.556 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.254 1.981 4.742 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.858 2.441 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.528 4.011 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.068 4.678 4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.838 3.320 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.800 4.291 6.999 1.00 0.00 H new ATOM 504 N VAL A 33 -5.332 0.790 6.466 1.00 0.00 N ATOM 505 CA VAL A 33 -4.688 -0.517 6.586 1.00 0.00 C ATOM 506 C VAL A 33 -3.231 -0.367 7.017 1.00 0.00 C ATOM 507 O VAL A 33 -2.609 -1.338 7.440 1.00 0.00 O ATOM 508 CB VAL A 33 -4.778 -1.224 5.234 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.757 -2.346 5.074 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.173 -1.829 5.110 1.00 0.00 C ATOM 0 H VAL A 33 -5.204 1.225 5.553 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.195 -1.107 7.349 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.572 -0.483 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.874 -2.807 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.750 -1.938 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.916 -3.096 5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.264 -2.341 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.334 -2.542 5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.920 -1.037 5.171 1.00 0.00 H new ATOM 520 N PHE A 34 -2.683 0.842 6.921 1.00 0.00 N ATOM 521 CA PHE A 34 -1.290 1.089 7.242 1.00 0.00 C ATOM 522 C PHE A 34 -1.141 2.123 8.341 1.00 0.00 C ATOM 523 O PHE A 34 -0.293 1.958 9.218 1.00 0.00 O ATOM 524 CB PHE A 34 -0.589 1.570 5.972 1.00 0.00 C ATOM 525 CG PHE A 34 -0.023 0.458 5.136 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.180 -0.147 5.518 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.694 0.030 3.984 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.713 -1.196 4.764 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.154 -1.009 3.218 1.00 0.00 C ATOM 530 CZ PHE A 34 1.039 -1.631 3.615 1.00 0.00 C ATOM 0 H PHE A 34 -3.194 1.671 6.619 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.840 0.166 7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.297 2.140 5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.216 2.251 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.699 0.199 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.621 0.498 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.637 -1.668 5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.657 -1.333 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.439 -2.448 3.033 1.00 0.00 H new ATOM 540 N GLU A 35 -1.946 3.182 8.317 1.00 0.00 N ATOM 541 CA GLU A 35 -1.826 4.200 9.338 1.00 0.00 C ATOM 542 C GLU A 35 -2.206 3.628 10.696 1.00 0.00 C ATOM 543 O GLU A 35 -1.883 4.200 11.733 1.00 0.00 O ATOM 544 CB GLU A 35 -2.686 5.421 8.992 1.00 0.00 C ATOM 545 CG GLU A 35 -4.154 5.288 9.391 1.00 0.00 C ATOM 546 CD GLU A 35 -4.399 5.724 10.833 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.931 6.831 11.185 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.048 4.950 11.571 1.00 0.00 O ATOM 0 H GLU A 35 -2.669 3.350 7.617 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.788 4.529 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.266 6.298 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.628 5.599 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.767 5.891 8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.470 4.252 9.267 1.00 0.00 H new ATOM 555 N LYS A 36 -2.902 2.486 10.679 1.00 0.00 N ATOM 556 CA LYS A 36 -3.398 1.830 11.872 1.00 0.00 C ATOM 557 C LYS A 36 -2.261 1.431 12.797 1.00 0.00 C ATOM 558 O LYS A 36 -2.426 1.434 14.015 1.00 0.00 O ATOM 559 CB LYS A 36 -4.201 0.599 11.461 1.00 0.00 C ATOM 560 CG LYS A 36 -3.322 -0.468 10.793 1.00 0.00 C ATOM 561 CD LYS A 36 -4.151 -1.573 10.138 1.00 0.00 C ATOM 562 CE LYS A 36 -5.227 -2.111 11.074 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.873 -3.314 10.513 1.00 0.00 N ATOM 0 H LYS A 36 -3.135 1.992 9.818 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.035 2.526 12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.684 0.172 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.994 0.897 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.690 0.004 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.658 -0.907 11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.619 -1.187 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.494 -2.388 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.784 -2.351 12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.978 -1.341 11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.600 -3.657 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.315 -3.078 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.159 -4.056 10.369 1.00 0.00 H new ATOM 577 N TYR A 37 -1.106 1.086 12.217 1.00 0.00 N ATOM 578 CA TYR A 37 0.042 0.705 13.009 1.00 0.00 C ATOM 579 C TYR A 37 0.689 1.918 13.670 1.00 0.00 C ATOM 580 O TYR A 37 1.396 1.777 14.664 1.00 0.00 O ATOM 581 CB TYR A 37 1.061 -0.007 12.126 1.00 0.00 C ATOM 582 CG TYR A 37 0.524 -1.297 11.556 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.659 -2.487 12.288 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.117 -1.298 10.312 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.134 -3.685 11.782 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.638 -2.491 9.799 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.525 -3.690 10.534 1.00 0.00 C ATOM 588 OH TYR A 37 -1.054 -4.847 10.044 1.00 0.00 O ATOM 0 H TYR A 37 -0.953 1.066 11.209 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.297 0.033 13.797 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.355 0.653 11.310 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.959 -0.215 12.707 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.167 -2.480 13.241 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.209 -0.381 9.750 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.234 -4.601 12.346 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.128 -2.494 8.837 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.369 -5.331 9.538 1.00 0.00 H new ATOM 598 N GLY A 38 0.447 3.109 13.119 1.00 0.00 N ATOM 599 CA GLY A 38 0.934 4.336 13.733 1.00 0.00 C ATOM 600 C GLY A 38 0.461 5.573 12.986 1.00 0.00 C ATOM 601 O GLY A 38 -0.171 6.431 13.593 1.00 0.00 O ATOM 0 H GLY A 38 -0.079 3.245 12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.593 4.384 14.767 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.024 4.322 13.757 1.00 0.00 H new ATOM 605 N ARG A 39 0.757 5.665 11.681 1.00 0.00 N ATOM 606 CA ARG A 39 0.295 6.770 10.846 1.00 0.00 C ATOM 607 C ARG A 39 0.681 6.553 9.394 1.00 0.00 C ATOM 608 O ARG A 39 1.456 5.658 9.071 1.00 0.00 O ATOM 609 CB ARG A 39 0.946 8.077 11.317 1.00 0.00 C ATOM 610 CG ARG A 39 -0.009 9.274 11.266 1.00 0.00 C ATOM 611 CD ARG A 39 -0.778 9.413 12.582 1.00 0.00 C ATOM 612 NE ARG A 39 -1.939 8.517 12.668 1.00 0.00 N ATOM 613 CZ ARG A 39 -2.586 8.263 13.808 1.00 0.00 C ATOM 614 NH1 ARG A 39 -2.204 8.819 14.955 1.00 0.00 N ATOM 615 NH2 ARG A 39 -3.629 7.443 13.800 1.00 0.00 N ATOM 0 H ARG A 39 1.321 4.977 11.182 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.790 6.822 10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.306 7.950 12.338 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.817 8.287 10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.555 10.186 11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.711 9.150 10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.104 9.206 13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.113 10.444 12.693 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.267 8.066 11.814 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.404 9.452 14.974 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.711 8.613 15.816 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.932 7.011 12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.128 7.244 14.667 1.00 0.00 H new ATOM 629 N VAL A 40 0.121 7.393 8.528 1.00 0.00 N ATOM 630 CA VAL A 40 0.447 7.430 7.115 1.00 0.00 C ATOM 631 C VAL A 40 0.688 8.880 6.713 1.00 0.00 C ATOM 632 O VAL A 40 -0.245 9.658 6.529 1.00 0.00 O ATOM 633 CB VAL A 40 -0.690 6.782 6.323 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.708 7.164 4.852 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.547 5.261 6.344 1.00 0.00 C ATOM 0 H VAL A 40 -0.585 8.078 8.799 1.00 0.00 H new ATOM 0 HA VAL A 40 1.355 6.867 6.899 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.601 7.136 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.542 6.666 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.823 8.244 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.228 6.857 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.362 4.811 5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.406 4.979 5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.583 4.906 7.374 1.00 0.00 H new ATOM 645 N GLY A 41 1.969 9.227 6.582 1.00 0.00 N ATOM 646 CA GLY A 41 2.394 10.547 6.133 1.00 0.00 C ATOM 647 C GLY A 41 1.956 10.830 4.696 1.00 0.00 C ATOM 648 O GLY A 41 1.739 11.984 4.335 1.00 0.00 O ATOM 0 H GLY A 41 2.743 8.594 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.979 11.307 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.479 10.622 6.203 1.00 0.00 H new ATOM 652 N ASP A 42 1.829 9.779 3.879 1.00 0.00 N ATOM 653 CA ASP A 42 1.435 9.881 2.485 1.00 0.00 C ATOM 654 C ASP A 42 0.881 8.543 2.011 1.00 0.00 C ATOM 655 O ASP A 42 1.370 7.486 2.406 1.00 0.00 O ATOM 656 CB ASP A 42 2.667 10.215 1.636 1.00 0.00 C ATOM 657 CG ASP A 42 2.956 11.710 1.603 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.037 12.471 1.221 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.100 12.083 1.956 1.00 0.00 O ATOM 0 H ASP A 42 2.002 8.820 4.181 1.00 0.00 H new ATOM 0 HA ASP A 42 0.678 10.659 2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.534 9.688 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.514 9.854 0.619 1.00 0.00 H new ATOM 664 N VAL A 43 -0.144 8.589 1.154 1.00 0.00 N ATOM 665 CA VAL A 43 -0.728 7.396 0.572 1.00 0.00 C ATOM 666 C VAL A 43 -1.275 7.772 -0.798 1.00 0.00 C ATOM 667 O VAL A 43 -2.178 8.602 -0.916 1.00 0.00 O ATOM 668 CB VAL A 43 -1.788 6.818 1.528 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.228 7.210 1.209 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.699 5.303 1.644 1.00 0.00 C ATOM 0 H VAL A 43 -0.585 9.457 0.850 1.00 0.00 H new ATOM 0 HA VAL A 43 0.008 6.604 0.433 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.538 7.279 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.899 6.754 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.328 8.295 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.487 6.861 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.467 4.945 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.850 4.853 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.716 5.024 2.023 1.00 0.00 H new ATOM 680 N TYR A 44 -0.729 7.164 -1.851 1.00 0.00 N ATOM 681 CA TYR A 44 -1.231 7.416 -3.193 1.00 0.00 C ATOM 682 C TYR A 44 -0.894 6.261 -4.128 1.00 0.00 C ATOM 683 O TYR A 44 -0.093 5.393 -3.783 1.00 0.00 O ATOM 684 CB TYR A 44 -0.653 8.725 -3.729 1.00 0.00 C ATOM 685 CG TYR A 44 0.727 8.607 -4.341 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.875 8.735 -3.548 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.845 8.362 -5.714 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.148 8.656 -4.139 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.106 8.265 -6.312 1.00 0.00 C ATOM 690 CZ TYR A 44 3.266 8.424 -5.527 1.00 0.00 C ATOM 691 OH TYR A 44 4.496 8.351 -6.110 1.00 0.00 O ATOM 0 H TYR A 44 0.048 6.505 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.317 7.502 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.334 9.126 -4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.613 9.449 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.782 8.894 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.044 8.247 -6.316 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.034 8.773 -3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.190 8.069 -7.371 1.00 0.00 H new ATOM 0 HH TYR A 44 4.908 7.488 -5.897 1.00 0.00 H new ATOM 701 N ILE A 45 -1.506 6.266 -5.311 1.00 0.00 N ATOM 702 CA ILE A 45 -1.273 5.258 -6.331 1.00 0.00 C ATOM 703 C ILE A 45 -0.817 5.981 -7.601 1.00 0.00 C ATOM 704 O ILE A 45 -1.566 6.788 -8.148 1.00 0.00 O ATOM 705 CB ILE A 45 -2.555 4.447 -6.590 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.889 3.429 -5.494 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.387 3.624 -7.872 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.116 4.046 -4.117 1.00 0.00 C ATOM 0 H ILE A 45 -2.182 6.978 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.507 4.554 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.352 5.189 -6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.784 2.878 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.077 2.705 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.294 3.049 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.204 4.293 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.543 2.944 -7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.347 3.259 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.215 4.572 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.948 4.748 -4.166 1.00 0.00 H new ATOM 720 N PRO A 46 0.406 5.697 -8.075 1.00 0.00 N ATOM 721 CA PRO A 46 0.982 6.232 -9.305 1.00 0.00 C ATOM 722 C PRO A 46 0.306 5.658 -10.556 1.00 0.00 C ATOM 723 O PRO A 46 0.978 5.191 -11.475 1.00 0.00 O ATOM 724 CB PRO A 46 2.470 5.887 -9.243 1.00 0.00 C ATOM 725 CG PRO A 46 2.496 4.627 -8.389 1.00 0.00 C ATOM 726 CD PRO A 46 1.354 4.826 -7.406 1.00 0.00 C ATOM 0 HA PRO A 46 0.828 7.309 -9.380 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.885 5.710 -10.235 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.052 6.691 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.351 3.732 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.450 4.513 -7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.893 3.874 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.710 5.274 -6.478 1.00 0.00 H new ATOM 900 N GLY A 56 -0.160 -1.503 -11.089 1.00 0.00 N ATOM 901 CA GLY A 56 -0.251 -2.677 -10.237 1.00 0.00 C ATOM 902 C GLY A 56 0.473 -2.495 -8.909 1.00 0.00 C ATOM 903 O GLY A 56 0.791 -3.479 -8.248 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.300 -2.903 -10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.170 -3.535 -10.761 1.00 0.00 H new ATOM 907 N PHE A 57 0.743 -1.248 -8.509 1.00 0.00 N ATOM 908 CA PHE A 57 1.419 -0.960 -7.258 1.00 0.00 C ATOM 909 C PHE A 57 0.967 0.391 -6.722 1.00 0.00 C ATOM 910 O PHE A 57 0.599 1.282 -7.488 1.00 0.00 O ATOM 911 CB PHE A 57 2.932 -0.960 -7.472 1.00 0.00 C ATOM 912 CG PHE A 57 3.473 0.259 -8.189 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.182 0.480 -9.545 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.267 1.179 -7.486 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.680 1.618 -10.195 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.769 2.313 -8.140 1.00 0.00 C ATOM 917 CZ PHE A 57 4.471 2.541 -9.490 1.00 0.00 C ATOM 0 H PHE A 57 0.496 -0.418 -9.048 1.00 0.00 H new ATOM 0 HA PHE A 57 1.165 -1.731 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.422 -1.040 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.204 -1.849 -8.041 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.573 -0.228 -10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.491 1.013 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.456 1.785 -11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.388 3.014 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.848 3.423 -9.987 1.00 0.00 H new ATOM 927 N ALA A 58 0.997 0.526 -5.397 1.00 0.00 N ATOM 928 CA ALA A 58 0.667 1.769 -4.728 1.00 0.00 C ATOM 929 C ALA A 58 1.965 2.473 -4.359 1.00 0.00 C ATOM 930 O ALA A 58 3.032 2.148 -4.874 1.00 0.00 O ATOM 931 CB ALA A 58 -0.162 1.482 -3.477 1.00 0.00 C ATOM 0 H ALA A 58 1.252 -0.230 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 58 0.077 2.408 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.406 2.420 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.082 0.971 -3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.410 0.850 -2.798 1.00 0.00 H new ATOM 937 N PHE A 59 1.856 3.441 -3.461 1.00 0.00 N ATOM 938 CA PHE A 59 2.991 4.174 -2.956 1.00 0.00 C ATOM 939 C PHE A 59 2.583 4.810 -1.650 1.00 0.00 C ATOM 940 O PHE A 59 2.465 6.030 -1.547 1.00 0.00 O ATOM 941 CB PHE A 59 3.436 5.190 -4.007 1.00 0.00 C ATOM 942 CG PHE A 59 4.922 5.479 -4.036 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.657 5.692 -2.857 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.569 5.528 -5.278 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.036 5.960 -2.933 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.944 5.793 -5.354 1.00 0.00 C ATOM 947 CZ PHE A 59 7.678 6.011 -4.179 1.00 0.00 C ATOM 0 H PHE A 59 0.965 3.737 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 59 3.847 3.528 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.133 4.828 -4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.904 6.125 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.165 5.650 -1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.005 5.360 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.602 6.127 -2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.436 5.829 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.737 6.218 -4.234 1.00 0.00 H new ATOM 957 N VAL A 60 2.366 3.966 -0.636 1.00 0.00 N ATOM 958 CA VAL A 60 2.222 4.603 0.670 1.00 0.00 C ATOM 959 C VAL A 60 3.624 5.072 1.041 1.00 0.00 C ATOM 960 O VAL A 60 4.583 4.471 0.569 1.00 0.00 O ATOM 961 CB VAL A 60 1.582 3.726 1.758 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.454 2.829 1.253 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.579 3.001 2.662 1.00 0.00 C ATOM 0 H VAL A 60 2.292 2.950 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 60 1.512 5.427 0.603 1.00 0.00 H new ATOM 0 HB VAL A 60 1.097 4.448 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.056 2.243 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.340 3.445 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.839 2.157 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.037 2.407 3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.207 2.346 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.204 3.732 3.174 1.00 0.00 H new ATOM 973 N ARG A 61 3.755 6.117 1.864 1.00 0.00 N ATOM 974 CA ARG A 61 5.028 6.599 2.377 1.00 0.00 C ATOM 975 C ARG A 61 4.836 7.090 3.793 1.00 0.00 C ATOM 976 O ARG A 61 4.173 8.098 4.036 1.00 0.00 O ATOM 977 CB ARG A 61 5.610 7.656 1.441 1.00 0.00 C ATOM 978 CG ARG A 61 6.489 8.669 2.169 1.00 0.00 C ATOM 979 CD ARG A 61 7.108 9.604 1.138 1.00 0.00 C ATOM 980 NE ARG A 61 6.146 10.611 0.684 1.00 0.00 N ATOM 981 CZ ARG A 61 6.041 11.060 -0.566 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.817 10.589 -1.539 1.00 0.00 N ATOM 983 NH2 ARG A 61 5.143 11.998 -0.847 1.00 0.00 N ATOM 0 H ARG A 61 2.957 6.659 2.196 1.00 0.00 H new ATOM 0 HA ARG A 61 5.759 5.791 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.196 7.164 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.796 8.181 0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.897 9.236 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.269 8.157 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.978 10.099 1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.461 9.025 0.285 1.00 0.00 H new ATOM 0 HE ARG A 61 5.507 10.998 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.510 9.869 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.719 10.948 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.543 12.367 -0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.054 12.349 -1.800 1.00 0.00 H new ATOM 997 N PHE A 62 5.430 6.363 4.737 1.00 0.00 N ATOM 998 CA PHE A 62 5.420 6.781 6.125 1.00 0.00 C ATOM 999 C PHE A 62 6.506 7.817 6.313 1.00 0.00 C ATOM 1000 O PHE A 62 7.503 7.800 5.588 1.00 0.00 O ATOM 1001 CB PHE A 62 5.659 5.598 7.046 1.00 0.00 C ATOM 1002 CG PHE A 62 4.458 4.692 7.189 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.530 4.518 6.144 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.268 4.032 8.405 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.418 3.682 6.309 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.172 3.184 8.575 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.262 2.997 7.527 1.00 0.00 C ATOM 0 H PHE A 62 5.921 5.486 4.561 1.00 0.00 H new ATOM 0 HA PHE A 62 4.447 7.203 6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.499 5.017 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.945 5.967 8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.677 5.034 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.969 4.178 9.214 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.694 3.566 5.516 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.026 2.672 9.515 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.431 2.319 7.656 1.00 0.00 H new ATOM 1017 N HIS A 63 6.279 8.691 7.293 1.00 0.00 N ATOM 1018 CA HIS A 63 7.125 9.816 7.659 1.00 0.00 C ATOM 1019 C HIS A 63 8.002 9.469 8.865 1.00 0.00 C ATOM 1020 O HIS A 63 8.825 10.286 9.282 1.00 0.00 O ATOM 1021 CB HIS A 63 6.195 10.978 8.025 1.00 0.00 C ATOM 1022 CG HIS A 63 5.152 10.563 9.035 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.327 9.573 10.001 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.886 11.071 9.150 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.170 9.503 10.672 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.291 10.395 10.189 1.00 0.00 N ATOM 0 H HIS A 63 5.450 8.625 7.884 1.00 0.00 H new ATOM 0 HA HIS A 63 7.784 10.075 6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.784 11.802 8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.703 11.348 7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.443 11.848 8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.972 8.824 11.488 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.343 10.546 10.534 1.00 0.00 H new ATOM 1034 N ASP A 64 7.832 8.270 9.420 1.00 0.00 N ATOM 1035 CA ASP A 64 8.541 7.827 10.610 1.00 0.00 C ATOM 1036 C ASP A 64 8.814 6.333 10.507 1.00 0.00 C ATOM 1037 O ASP A 64 7.888 5.520 10.464 1.00 0.00 O ATOM 1038 CB ASP A 64 7.705 8.159 11.855 1.00 0.00 C ATOM 1039 CG ASP A 64 8.485 7.932 13.146 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.300 6.982 13.181 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.262 8.715 14.099 1.00 0.00 O ATOM 0 H ASP A 64 7.188 7.572 9.047 1.00 0.00 H new ATOM 0 HA ASP A 64 9.497 8.344 10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.380 9.198 11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.806 7.543 11.862 1.00 0.00 H new ATOM 1046 N LYS A 65 10.099 5.974 10.465 1.00 0.00 N ATOM 1047 CA LYS A 65 10.541 4.596 10.310 1.00 0.00 C ATOM 1048 C LYS A 65 10.014 3.672 11.402 1.00 0.00 C ATOM 1049 O LYS A 65 9.925 2.471 11.179 1.00 0.00 O ATOM 1050 CB LYS A 65 12.067 4.558 10.247 1.00 0.00 C ATOM 1051 CG LYS A 65 12.710 4.851 11.606 1.00 0.00 C ATOM 1052 CD LYS A 65 14.146 5.335 11.417 1.00 0.00 C ATOM 1053 CE LYS A 65 14.967 4.345 10.591 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.310 4.879 10.296 1.00 0.00 N ATOM 0 H LYS A 65 10.866 6.642 10.539 1.00 0.00 H new ATOM 0 HA LYS A 65 10.124 4.219 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.390 3.577 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.417 5.287 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.130 5.607 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.700 3.952 12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.141 6.307 10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.615 5.475 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.058 3.404 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.447 4.127 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.844 4.185 9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.221 5.765 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.813 5.064 11.187 1.00 0.00 H new ATOM 1068 N ARG A 66 9.663 4.202 12.577 1.00 0.00 N ATOM 1069 CA ARG A 66 9.180 3.373 13.671 1.00 0.00 C ATOM 1070 C ARG A 66 7.776 2.861 13.371 1.00 0.00 C ATOM 1071 O ARG A 66 7.504 1.664 13.501 1.00 0.00 O ATOM 1072 CB ARG A 66 9.183 4.190 14.969 1.00 0.00 C ATOM 1073 CG ARG A 66 10.587 4.671 15.337 1.00 0.00 C ATOM 1074 CD ARG A 66 11.569 3.502 15.426 1.00 0.00 C ATOM 1075 NE ARG A 66 12.887 3.951 15.888 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.016 3.261 15.709 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.009 2.097 15.066 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.165 3.741 16.177 1.00 0.00 N ATOM 0 H ARG A 66 9.706 5.199 12.789 1.00 0.00 H new ATOM 0 HA ARG A 66 9.839 2.513 13.786 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.522 5.050 14.858 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.783 3.583 15.781 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.936 5.386 14.592 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.555 5.196 16.292 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.179 2.747 16.109 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.665 3.029 14.449 1.00 0.00 H new ATOM 0 HE ARG A 66 12.944 4.845 16.376 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.134 1.721 14.702 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.879 1.581 14.937 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.182 4.633 16.671 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.029 3.217 16.042 1.00 0.00 H new ATOM 1092 N ASP A 67 6.877 3.759 12.960 1.00 0.00 N ATOM 1093 CA ASP A 67 5.530 3.362 12.588 1.00 0.00 C ATOM 1094 C ASP A 67 5.588 2.488 11.340 1.00 0.00 C ATOM 1095 O ASP A 67 4.723 1.644 11.119 1.00 0.00 O ATOM 1096 CB ASP A 67 4.678 4.604 12.312 1.00 0.00 C ATOM 1097 CG ASP A 67 4.552 5.498 13.544 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.367 4.944 14.652 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.639 6.732 13.369 1.00 0.00 O ATOM 0 H ASP A 67 7.062 4.759 12.879 1.00 0.00 H new ATOM 0 HA ASP A 67 5.080 2.799 13.406 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.121 5.173 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.685 4.297 11.984 1.00 0.00 H new ATOM 1104 N ALA A 68 6.624 2.698 10.521 1.00 0.00 N ATOM 1105 CA ALA A 68 6.824 1.959 9.298 1.00 0.00 C ATOM 1106 C ALA A 68 7.400 0.573 9.572 1.00 0.00 C ATOM 1107 O ALA A 68 7.099 -0.365 8.836 1.00 0.00 O ATOM 1108 CB ALA A 68 7.794 2.771 8.456 1.00 0.00 C ATOM 0 H ALA A 68 7.346 3.395 10.702 1.00 0.00 H new ATOM 0 HA ALA A 68 5.874 1.809 8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.980 2.254 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.365 3.752 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.733 2.890 8.996 1.00 0.00 H new ATOM 1114 N GLU A 69 8.224 0.429 10.617 1.00 0.00 N ATOM 1115 CA GLU A 69 8.788 -0.859 10.979 1.00 0.00 C ATOM 1116 C GLU A 69 7.685 -1.849 11.298 1.00 0.00 C ATOM 1117 O GLU A 69 7.701 -2.975 10.799 1.00 0.00 O ATOM 1118 CB GLU A 69 9.667 -0.717 12.227 1.00 0.00 C ATOM 1119 CG GLU A 69 11.120 -0.424 11.851 1.00 0.00 C ATOM 1120 CD GLU A 69 12.007 -0.375 13.093 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.041 0.701 13.732 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.642 -1.409 13.397 1.00 0.00 O ATOM 0 H GLU A 69 8.511 1.197 11.224 1.00 0.00 H new ATOM 0 HA GLU A 69 9.379 -1.215 10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.283 0.086 12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.619 -1.634 12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.485 -1.192 11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.178 0.527 11.321 1.00 0.00 H new ATOM 1129 N ASP A 70 6.725 -1.440 12.130 1.00 0.00 N ATOM 1130 CA ASP A 70 5.685 -2.370 12.538 1.00 0.00 C ATOM 1131 C ASP A 70 4.716 -2.649 11.391 1.00 0.00 C ATOM 1132 O ASP A 70 4.333 -3.803 11.180 1.00 0.00 O ATOM 1133 CB ASP A 70 4.940 -1.809 13.746 1.00 0.00 C ATOM 1134 CG ASP A 70 5.873 -1.530 14.924 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.638 -2.453 15.286 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.813 -0.399 15.452 1.00 0.00 O ATOM 0 H ASP A 70 6.650 -0.501 12.521 1.00 0.00 H new ATOM 0 HA ASP A 70 6.152 -3.316 12.813 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.432 -0.887 13.461 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.169 -2.515 14.055 1.00 0.00 H new ATOM 1141 N ALA A 71 4.319 -1.614 10.648 1.00 0.00 N ATOM 1142 CA ALA A 71 3.396 -1.771 9.538 1.00 0.00 C ATOM 1143 C ALA A 71 3.970 -2.733 8.505 1.00 0.00 C ATOM 1144 O ALA A 71 3.293 -3.669 8.092 1.00 0.00 O ATOM 1145 CB ALA A 71 3.128 -0.410 8.900 1.00 0.00 C ATOM 0 H ALA A 71 4.629 -0.654 10.802 1.00 0.00 H new ATOM 0 HA ALA A 71 2.458 -2.184 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.435 -0.529 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.693 0.260 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.065 0.012 8.536 1.00 0.00 H new ATOM 1151 N MET A 72 5.215 -2.506 8.086 1.00 0.00 N ATOM 1152 CA MET A 72 5.873 -3.336 7.092 1.00 0.00 C ATOM 1153 C MET A 72 6.058 -4.760 7.599 1.00 0.00 C ATOM 1154 O MET A 72 5.869 -5.707 6.838 1.00 0.00 O ATOM 1155 CB MET A 72 7.222 -2.688 6.792 1.00 0.00 C ATOM 1156 CG MET A 72 8.163 -3.583 5.992 1.00 0.00 C ATOM 1157 SD MET A 72 9.578 -2.692 5.290 1.00 0.00 S ATOM 1158 CE MET A 72 10.081 -1.714 6.730 1.00 0.00 C ATOM 0 H MET A 72 5.792 -1.739 8.430 1.00 0.00 H new ATOM 0 HA MET A 72 5.266 -3.403 6.189 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.057 -1.763 6.240 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.703 -2.417 7.732 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.529 -4.382 6.637 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.604 -4.056 5.185 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.143 -1.478 6.657 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.505 -0.789 6.761 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.899 -2.286 7.640 1.00 0.00 H new ATOM 1168 N ASP A 73 6.425 -4.919 8.873 1.00 0.00 N ATOM 1169 CA ASP A 73 6.607 -6.236 9.462 1.00 0.00 C ATOM 1170 C ASP A 73 5.259 -6.929 9.682 1.00 0.00 C ATOM 1171 O ASP A 73 5.218 -8.094 10.087 1.00 0.00 O ATOM 1172 CB ASP A 73 7.373 -6.097 10.778 1.00 0.00 C ATOM 1173 CG ASP A 73 7.758 -7.455 11.368 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.403 -8.242 10.637 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.406 -7.694 12.542 1.00 0.00 O ATOM 0 H ASP A 73 6.601 -4.145 9.514 1.00 0.00 H new ATOM 0 HA ASP A 73 7.183 -6.858 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.274 -5.506 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.762 -5.551 11.496 1.00 0.00 H new ATOM 1180 N ALA A 74 4.157 -6.222 9.412 1.00 0.00 N ATOM 1181 CA ALA A 74 2.810 -6.749 9.575 1.00 0.00 C ATOM 1182 C ALA A 74 1.957 -6.581 8.312 1.00 0.00 C ATOM 1183 O ALA A 74 0.760 -6.853 8.348 1.00 0.00 O ATOM 1184 CB ALA A 74 2.175 -6.037 10.767 1.00 0.00 C ATOM 0 H ALA A 74 4.181 -5.261 9.072 1.00 0.00 H new ATOM 0 HA ALA A 74 2.864 -7.823 9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.162 -6.410 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.767 -6.227 11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.142 -4.965 10.575 1.00 0.00 H new ATOM 1190 N MET A 75 2.555 -6.136 7.196 1.00 0.00 N ATOM 1191 CA MET A 75 1.824 -5.927 5.952 1.00 0.00 C ATOM 1192 C MET A 75 2.550 -6.475 4.729 1.00 0.00 C ATOM 1193 O MET A 75 1.913 -6.673 3.696 1.00 0.00 O ATOM 1194 CB MET A 75 1.568 -4.433 5.748 1.00 0.00 C ATOM 1195 CG MET A 75 0.435 -3.925 6.636 1.00 0.00 C ATOM 1196 SD MET A 75 -1.170 -4.692 6.295 1.00 0.00 S ATOM 1197 CE MET A 75 -1.208 -4.491 4.496 1.00 0.00 C ATOM 0 H MET A 75 3.549 -5.915 7.137 1.00 0.00 H new ATOM 0 HA MET A 75 0.887 -6.475 6.047 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.479 -3.875 5.966 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.322 -4.246 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.697 -4.103 7.679 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.344 -2.846 6.510 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.214 -4.693 4.129 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.925 -3.471 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.508 -5.189 4.037 1.00 0.00 H new ATOM 1207 N ASP A 76 3.859 -6.729 4.806 1.00 0.00 N ATOM 1208 CA ASP A 76 4.559 -7.301 3.664 1.00 0.00 C ATOM 1209 C ASP A 76 4.076 -8.730 3.427 1.00 0.00 C ATOM 1210 O ASP A 76 4.301 -9.616 4.251 1.00 0.00 O ATOM 1211 CB ASP A 76 6.067 -7.260 3.905 1.00 0.00 C ATOM 1212 CG ASP A 76 6.818 -7.732 2.665 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.479 -7.237 1.564 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.721 -8.581 2.824 1.00 0.00 O ATOM 0 H ASP A 76 4.439 -6.552 5.626 1.00 0.00 H new ATOM 0 HA ASP A 76 4.343 -6.715 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.373 -6.245 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.323 -7.892 4.755 1.00 0.00 H new ATOM 1219 N GLY A 77 3.409 -8.960 2.293 1.00 0.00 N ATOM 1220 CA GLY A 77 2.865 -10.259 1.924 1.00 0.00 C ATOM 1221 C GLY A 77 1.650 -10.622 2.765 1.00 0.00 C ATOM 1222 O GLY A 77 1.376 -11.804 2.982 1.00 0.00 O ATOM 0 H GLY A 77 3.232 -8.234 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.588 -10.251 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.633 -11.023 2.046 1.00 0.00 H new ATOM 1226 N ALA A 78 0.917 -9.614 3.244 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.228 -9.811 4.121 1.00 0.00 C ATOM 1228 C ALA A 78 -1.523 -10.053 3.341 1.00 0.00 C ATOM 1229 O ALA A 78 -2.582 -10.205 3.950 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.365 -8.589 5.030 1.00 0.00 C ATOM 0 H ALA A 78 1.106 -8.635 3.030 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.056 -10.707 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.220 -8.723 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.541 -8.474 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.514 -7.697 4.421 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.435 -10.088 2.004 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.554 -10.332 1.092 1.00 0.00 C ATOM 1238 C VAL A 79 -3.879 -9.781 1.630 1.00 0.00 C ATOM 1239 O VAL A 79 -4.798 -10.520 1.968 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.585 -11.818 0.694 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.549 -12.756 1.898 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.735 -12.137 -0.234 1.00 0.00 C ATOM 0 H VAL A 79 -0.552 -9.942 1.514 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.399 -9.767 0.173 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.665 -11.998 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.573 -13.790 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.635 -12.584 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.413 -12.565 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.715 -13.197 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.677 -11.899 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.643 -11.545 -1.145 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.971 -8.448 1.710 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.198 -7.780 2.118 1.00 0.00 C ATOM 1254 C LEU A 80 -6.270 -7.848 1.026 1.00 0.00 C ATOM 1255 O LEU A 80 -7.377 -7.358 1.226 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.901 -6.326 2.519 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.974 -5.307 1.372 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.508 -3.944 1.868 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.109 -5.693 0.175 1.00 0.00 C ATOM 0 H LEU A 80 -3.202 -7.814 1.495 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.597 -8.305 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.606 -6.028 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.905 -6.283 2.960 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.014 -5.283 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.561 -3.223 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.150 -3.615 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.480 -4.018 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.203 -4.934 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.067 -5.765 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.438 -6.656 -0.216 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.944 -8.451 -0.124 1.00 0.00 N ATOM 1272 CA ASP A 81 -6.809 -8.453 -1.291 1.00 0.00 C ATOM 1273 C ASP A 81 -6.877 -9.831 -1.959 1.00 0.00 C ATOM 1274 O ASP A 81 -7.968 -10.295 -2.281 1.00 0.00 O ATOM 1275 CB ASP A 81 -6.343 -7.377 -2.280 1.00 0.00 C ATOM 1276 CG ASP A 81 -4.888 -7.517 -2.741 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -4.151 -8.365 -2.180 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -4.525 -6.761 -3.666 1.00 0.00 O ATOM 0 H ASP A 81 -5.066 -8.952 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.822 -8.221 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.991 -7.403 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.471 -6.398 -1.818 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.728 -10.485 -2.161 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.665 -11.860 -2.648 1.00 0.00 C ATOM 1285 C GLY A 82 -4.554 -12.087 -3.670 1.00 0.00 C ATOM 1286 O GLY A 82 -4.620 -13.044 -4.441 1.00 0.00 O ATOM 0 H GLY A 82 -4.812 -10.069 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.514 -12.531 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.622 -12.123 -3.098 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.542 -11.217 -3.687 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.408 -11.333 -4.598 1.00 0.00 C ATOM 1292 C ARG A 83 -1.071 -11.136 -3.883 1.00 0.00 C ATOM 1293 O ARG A 83 -0.032 -11.460 -4.455 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.570 -10.313 -5.722 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.965 -8.959 -5.136 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.558 -7.864 -6.106 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.114 -8.108 -7.444 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.405 -8.144 -8.580 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.093 -7.928 -8.588 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.016 -8.398 -9.733 1.00 0.00 N ATOM 0 H ARG A 83 -3.489 -10.410 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.398 -12.343 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.638 -10.221 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.330 -10.651 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.040 -8.925 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.478 -8.809 -4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.904 -6.899 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.471 -7.812 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.120 -8.262 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.604 -7.729 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.576 -7.961 -9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.022 -8.565 -9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.479 -8.426 -10.600 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.106 -10.611 -2.650 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.015 -10.586 -1.680 1.00 0.00 C ATOM 1316 C GLU A 84 0.692 -9.232 -1.678 1.00 0.00 C ATOM 1317 O GLU A 84 1.658 -9.017 -2.403 1.00 0.00 O ATOM 1318 CB GLU A 84 0.942 -11.775 -1.842 1.00 0.00 C ATOM 1319 CG GLU A 84 1.116 -12.484 -0.497 1.00 0.00 C ATOM 1320 CD GLU A 84 2.278 -13.470 -0.550 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.436 -12.992 -0.553 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.010 -14.690 -0.589 1.00 0.00 O ATOM 0 H GLU A 84 -1.950 -10.167 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.452 -10.708 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.550 -12.471 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.908 -11.429 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.294 -11.748 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.198 -13.011 -0.237 1.00 0.00 H new ATOM 1329 N LEU A 85 0.183 -8.325 -0.840 1.00 0.00 N ATOM 1330 CA LEU A 85 0.680 -6.968 -0.650 1.00 0.00 C ATOM 1331 C LEU A 85 2.202 -6.956 -0.488 1.00 0.00 C ATOM 1332 O LEU A 85 2.802 -7.970 -0.135 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.054 -6.428 0.591 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.327 -4.922 0.661 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.904 -4.110 1.048 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -0.889 -4.369 -0.644 1.00 0.00 C ATOM 0 H LEU A 85 -0.624 -8.530 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 85 0.484 -6.334 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.010 -6.945 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.528 -6.704 1.471 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.075 -4.816 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.646 -3.051 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.256 -4.428 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.691 -4.269 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.064 -3.298 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.176 -4.543 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.829 -4.870 -0.876 1.00 0.00 H new ATOM 1348 N ARG A 86 2.840 -5.814 -0.743 1.00 0.00 N ATOM 1349 CA ARG A 86 4.289 -5.675 -0.666 1.00 0.00 C ATOM 1350 C ARG A 86 4.665 -4.389 0.057 1.00 0.00 C ATOM 1351 O ARG A 86 4.047 -3.350 -0.175 1.00 0.00 O ATOM 1352 CB ARG A 86 4.856 -5.627 -2.087 1.00 0.00 C ATOM 1353 CG ARG A 86 4.709 -6.956 -2.830 1.00 0.00 C ATOM 1354 CD ARG A 86 5.516 -8.042 -2.113 1.00 0.00 C ATOM 1355 NE ARG A 86 5.466 -9.313 -2.842 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.926 -10.437 -2.360 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.357 -10.467 -1.160 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.953 -11.557 -3.077 1.00 0.00 N ATOM 0 H ARG A 86 2.360 -4.955 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 86 4.698 -6.523 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.348 -4.844 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.911 -5.355 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.658 -7.242 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.057 -6.849 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.552 -7.720 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.125 -8.183 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 86 5.870 -9.342 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.327 -9.623 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.950 -11.334 -0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.387 -11.561 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.539 -12.411 -2.704 1.00 0.00 H new ATOM 1372 N VAL A 87 5.674 -4.455 0.930 1.00 0.00 N ATOM 1373 CA VAL A 87 6.126 -3.293 1.676 1.00 0.00 C ATOM 1374 C VAL A 87 7.647 -3.284 1.792 1.00 0.00 C ATOM 1375 O VAL A 87 8.273 -4.328 1.949 1.00 0.00 O ATOM 1376 CB VAL A 87 5.490 -3.291 3.068 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.701 -1.908 3.677 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.998 -3.626 3.012 1.00 0.00 C ATOM 0 H VAL A 87 6.192 -5.310 1.133 1.00 0.00 H new ATOM 0 HA VAL A 87 5.819 -2.394 1.141 1.00 0.00 H new ATOM 0 HB VAL A 87 5.962 -4.059 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.257 -1.877 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.769 -1.701 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.228 -1.156 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.584 -3.614 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.482 -2.887 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.863 -4.616 2.576 1.00 0.00 H new ATOM 1388 N GLN A 88 8.228 -2.083 1.719 1.00 0.00 N ATOM 1389 CA GLN A 88 9.669 -1.877 1.745 1.00 0.00 C ATOM 1390 C GLN A 88 9.976 -0.390 1.868 1.00 0.00 C ATOM 1391 O GLN A 88 9.250 0.441 1.331 1.00 0.00 O ATOM 1392 CB GLN A 88 10.268 -2.425 0.443 1.00 0.00 C ATOM 1393 CG GLN A 88 9.476 -1.964 -0.784 1.00 0.00 C ATOM 1394 CD GLN A 88 10.059 -2.476 -2.090 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.204 -2.921 -2.153 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.267 -2.420 -3.158 1.00 0.00 N ATOM 0 H GLN A 88 7.697 -1.216 1.639 1.00 0.00 H new ATOM 0 HA GLN A 88 10.102 -2.397 2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.303 -2.096 0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.281 -3.514 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.445 -2.305 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.451 -0.875 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.322 -2.045 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.605 -2.752 -4.061 1.00 0.00 H new ATOM 1405 N MET A 89 11.051 -0.035 2.575 1.00 0.00 N ATOM 1406 CA MET A 89 11.493 1.348 2.698 1.00 0.00 C ATOM 1407 C MET A 89 11.578 1.994 1.320 1.00 0.00 C ATOM 1408 O MET A 89 12.114 1.406 0.381 1.00 0.00 O ATOM 1409 CB MET A 89 12.850 1.373 3.404 1.00 0.00 C ATOM 1410 CG MET A 89 12.637 1.021 4.867 1.00 0.00 C ATOM 1411 SD MET A 89 12.130 2.432 5.889 1.00 0.00 S ATOM 1412 CE MET A 89 11.326 1.550 7.244 1.00 0.00 C ATOM 0 H MET A 89 11.637 -0.702 3.077 1.00 0.00 H new ATOM 0 HA MET A 89 10.776 1.919 3.289 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.533 0.662 2.939 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.306 2.359 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.879 0.241 4.937 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.560 0.605 5.270 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.426 2.126 8.164 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.269 1.415 7.014 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.796 0.575 7.374 1.00 0.00 H new ATOM 1422 N ALA A 90 11.049 3.212 1.203 1.00 0.00 N ATOM 1423 CA ALA A 90 10.970 3.887 -0.082 1.00 0.00 C ATOM 1424 C ALA A 90 12.329 4.404 -0.550 1.00 0.00 C ATOM 1425 O ALA A 90 12.490 4.646 -1.745 1.00 0.00 O ATOM 1426 CB ALA A 90 9.992 5.053 0.006 1.00 0.00 C ATOM 0 H ALA A 90 10.670 3.747 1.985 1.00 0.00 H new ATOM 0 HA ALA A 90 10.623 3.154 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.937 5.555 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.005 4.680 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.334 5.759 0.763 1.00 0.00 H new