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 164:sc= -0.07 (180deg=-0.771) USER MOD Set 1.2: A 89 MET CE :methyl 147:sc= -0.0233 (180deg=0) USER MOD Single : A 15 SER OG : rot 41:sc= 0.495 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc=-0.00267 (180deg=-0.108) USER MOD Single : A 20 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.4!) USER MOD Single : A 22 THR OG1 : rot -48:sc= 0.72 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 140:sc= -0.475 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 118:sc= 0.604 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -86:sc= 0.0391 USER MOD Single : A 44 TYR OH : rot -108:sc= 0.791 USER MOD Single : A 63 HIS : no HD1:sc= -2.15 K(o=-2.1,f=-7.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -168:sc= -0.65 (180deg=-1.13) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.681 6.866 5.005 1.00 0.00 N ATOM 204 CA SER A 15 10.444 6.727 4.257 1.00 0.00 C ATOM 205 C SER A 15 10.125 5.269 3.965 1.00 0.00 C ATOM 206 O SER A 15 11.018 4.483 3.650 1.00 0.00 O ATOM 207 CB SER A 15 10.544 7.523 2.958 1.00 0.00 C ATOM 208 OG SER A 15 10.723 8.896 3.251 1.00 0.00 O ATOM 0 HA SER A 15 9.629 7.120 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.379 7.157 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.641 7.383 2.364 1.00 0.00 H new ATOM 0 HG SER A 15 11.344 8.992 4.003 1.00 0.00 H new ATOM 214 N LEU A 16 8.840 4.929 4.075 1.00 0.00 N ATOM 215 CA LEU A 16 8.335 3.622 3.660 1.00 0.00 C ATOM 216 C LEU A 16 7.723 3.776 2.273 1.00 0.00 C ATOM 217 O LEU A 16 7.405 4.899 1.894 1.00 0.00 O ATOM 218 CB LEU A 16 7.267 3.149 4.653 1.00 0.00 C ATOM 219 CG LEU A 16 6.808 1.706 4.411 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.942 0.731 4.690 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.621 1.376 5.315 1.00 0.00 C ATOM 0 H LEU A 16 8.124 5.549 4.453 1.00 0.00 H new ATOM 0 HA LEU A 16 9.140 2.887 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.661 3.232 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.404 3.812 4.591 1.00 0.00 H new ATOM 0 HG LEU A 16 6.508 1.612 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.598 -0.288 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.781 0.950 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.261 0.831 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.302 0.349 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.916 1.488 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.797 2.055 5.096 1.00 0.00 H new ATOM 233 N LYS A 17 7.573 2.654 1.562 1.00 0.00 N ATOM 234 CA LYS A 17 6.929 2.511 0.259 1.00 0.00 C ATOM 235 C LYS A 17 6.126 1.208 0.285 1.00 0.00 C ATOM 236 O LYS A 17 6.588 0.193 0.794 1.00 0.00 O ATOM 237 CB LYS A 17 8.001 2.507 -0.840 1.00 0.00 C ATOM 238 CG LYS A 17 7.645 1.743 -2.121 1.00 0.00 C ATOM 239 CD LYS A 17 6.508 2.407 -2.898 1.00 0.00 C ATOM 240 CE LYS A 17 6.080 1.542 -4.080 1.00 0.00 C ATOM 241 NZ LYS A 17 7.171 1.383 -5.063 1.00 0.00 N ATOM 0 H LYS A 17 7.924 1.761 1.909 1.00 0.00 H new ATOM 0 HA LYS A 17 6.254 3.341 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.224 3.540 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.915 2.080 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.527 1.677 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.359 0.723 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.658 2.572 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.829 3.385 -3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.769 0.561 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.215 1.992 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.802 0.922 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.554 2.318 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.926 0.797 -4.652 1.00 0.00 H new ATOM 255 N VAL A 18 4.912 1.238 -0.270 1.00 0.00 N ATOM 256 CA VAL A 18 4.083 0.046 -0.401 1.00 0.00 C ATOM 257 C VAL A 18 3.579 -0.082 -1.824 1.00 0.00 C ATOM 258 O VAL A 18 3.234 0.937 -2.425 1.00 0.00 O ATOM 259 CB VAL A 18 2.895 0.171 0.536 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.747 -0.753 0.118 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.348 -0.149 1.956 1.00 0.00 C ATOM 0 H VAL A 18 4.481 2.086 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 18 4.674 -0.835 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 18 2.518 1.193 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.915 -0.636 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.419 -0.494 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.089 -1.788 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.501 -0.062 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.740 -1.166 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.128 0.551 2.256 1.00 0.00 H new ATOM 271 N ASP A 19 3.558 -1.335 -2.305 1.00 0.00 N ATOM 272 CA ASP A 19 3.332 -1.755 -3.687 1.00 0.00 C ATOM 273 C ASP A 19 2.463 -3.026 -3.753 1.00 0.00 C ATOM 274 O ASP A 19 2.170 -3.642 -2.730 1.00 0.00 O ATOM 275 CB ASP A 19 4.720 -1.927 -4.327 1.00 0.00 C ATOM 276 CG ASP A 19 4.892 -3.150 -5.227 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.410 -3.102 -6.379 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.515 -4.126 -4.754 1.00 0.00 O ATOM 0 H ASP A 19 3.710 -2.134 -1.690 1.00 0.00 H new ATOM 0 HA ASP A 19 2.766 -1.010 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.942 -1.035 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.462 -1.979 -3.531 1.00 0.00 H new ATOM 283 N ASN A 20 2.060 -3.399 -4.973 1.00 0.00 N ATOM 284 CA ASN A 20 1.179 -4.515 -5.306 1.00 0.00 C ATOM 285 C ASN A 20 -0.289 -4.197 -5.018 1.00 0.00 C ATOM 286 O ASN A 20 -0.678 -4.061 -3.859 1.00 0.00 O ATOM 287 CB ASN A 20 1.638 -5.813 -4.634 1.00 0.00 C ATOM 288 CG ASN A 20 1.163 -7.020 -5.427 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.988 -6.960 -6.641 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.946 -8.136 -4.749 1.00 0.00 N ATOM 0 H ASN A 20 2.363 -2.894 -5.806 1.00 0.00 H new ATOM 0 HA ASN A 20 1.251 -4.672 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.725 -5.825 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.247 -5.861 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.625 -8.974 -5.235 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.099 -8.158 -3.741 1.00 0.00 H new ATOM 297 N LEU A 21 -1.098 -4.083 -6.078 1.00 0.00 N ATOM 298 CA LEU A 21 -2.524 -3.766 -6.009 1.00 0.00 C ATOM 299 C LEU A 21 -3.341 -4.692 -6.909 1.00 0.00 C ATOM 300 O LEU A 21 -2.799 -5.560 -7.586 1.00 0.00 O ATOM 301 CB LEU A 21 -2.766 -2.327 -6.473 1.00 0.00 C ATOM 302 CG LEU A 21 -1.887 -1.288 -5.784 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.227 0.067 -6.395 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.118 -1.245 -4.277 1.00 0.00 C ATOM 0 H LEU A 21 -0.766 -4.213 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.836 -3.895 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.598 -2.272 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.812 -2.073 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.839 -1.548 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.617 0.840 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.025 0.044 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.282 0.287 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.470 -0.491 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.159 -0.994 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.890 -2.220 -3.846 1.00 0.00 H new ATOM 316 N THR A 22 -4.664 -4.489 -6.907 1.00 0.00 N ATOM 317 CA THR A 22 -5.592 -5.237 -7.752 1.00 0.00 C ATOM 318 C THR A 22 -6.458 -4.305 -8.592 1.00 0.00 C ATOM 319 O THR A 22 -7.481 -4.743 -9.100 1.00 0.00 O ATOM 320 CB THR A 22 -6.468 -6.173 -6.908 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.180 -7.063 -7.742 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.457 -5.410 -6.023 1.00 0.00 C ATOM 0 H THR A 22 -5.120 -3.796 -6.314 1.00 0.00 H new ATOM 0 HA THR A 22 -4.997 -5.844 -8.434 1.00 0.00 H new ATOM 0 HB THR A 22 -5.795 -6.728 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.607 -6.561 -8.468 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.052 -6.119 -5.447 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.909 -4.759 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.116 -4.808 -6.649 1.00 0.00 H new ATOM 329 N TYR A 23 -6.055 -3.033 -8.731 1.00 0.00 N ATOM 330 CA TYR A 23 -6.744 -1.997 -9.510 1.00 0.00 C ATOM 331 C TYR A 23 -7.916 -1.359 -8.760 1.00 0.00 C ATOM 332 O TYR A 23 -8.499 -0.376 -9.222 1.00 0.00 O ATOM 333 CB TYR A 23 -7.158 -2.534 -10.884 1.00 0.00 C ATOM 334 CG TYR A 23 -8.625 -2.395 -11.237 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.595 -3.183 -10.595 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.012 -1.462 -12.212 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.950 -3.045 -10.932 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.368 -1.321 -12.551 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.343 -2.115 -11.912 1.00 0.00 C ATOM 340 OH TYR A 23 -12.658 -1.990 -12.246 1.00 0.00 O ATOM 0 H TYR A 23 -5.206 -2.686 -8.285 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.029 -1.190 -9.666 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.571 -2.019 -11.645 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.891 -3.590 -10.935 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.297 -3.896 -9.841 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.267 -0.852 -12.702 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.693 -3.654 -10.438 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.664 -0.604 -13.302 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.756 -1.303 -12.938 1.00 0.00 H new ATOM 350 N ARG A 24 -8.259 -1.920 -7.602 1.00 0.00 N ATOM 351 CA ARG A 24 -9.402 -1.470 -6.815 1.00 0.00 C ATOM 352 C ARG A 24 -9.064 -1.340 -5.331 1.00 0.00 C ATOM 353 O ARG A 24 -9.924 -0.994 -4.524 1.00 0.00 O ATOM 354 CB ARG A 24 -10.539 -2.460 -7.085 1.00 0.00 C ATOM 355 CG ARG A 24 -11.858 -2.063 -6.419 1.00 0.00 C ATOM 356 CD ARG A 24 -13.000 -2.930 -6.941 1.00 0.00 C ATOM 357 NE ARG A 24 -12.800 -4.344 -6.603 1.00 0.00 N ATOM 358 CZ ARG A 24 -13.468 -5.357 -7.162 1.00 0.00 C ATOM 359 NH1 ARG A 24 -14.394 -5.139 -8.093 1.00 0.00 N ATOM 360 NH2 ARG A 24 -13.211 -6.607 -6.784 1.00 0.00 N ATOM 0 H ARG A 24 -7.751 -2.700 -7.184 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.705 -0.465 -7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.693 -2.541 -8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.244 -3.447 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.774 -2.173 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.071 -1.012 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.943 -2.584 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.076 -2.821 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.103 -4.569 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.604 -4.186 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.894 -5.925 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.506 -6.789 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.719 -7.383 -7.209 1.00 0.00 H new ATOM 374 N THR A 25 -7.810 -1.616 -4.952 1.00 0.00 N ATOM 375 CA THR A 25 -7.376 -1.469 -3.571 1.00 0.00 C ATOM 376 C THR A 25 -7.517 -0.018 -3.112 1.00 0.00 C ATOM 377 O THR A 25 -7.961 0.230 -1.997 1.00 0.00 O ATOM 378 CB THR A 25 -5.918 -1.907 -3.457 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.806 -3.268 -3.793 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.387 -1.702 -2.045 1.00 0.00 C ATOM 0 H THR A 25 -7.083 -1.942 -5.588 1.00 0.00 H new ATOM 0 HA THR A 25 -8.003 -2.092 -2.933 1.00 0.00 H new ATOM 0 HB THR A 25 -5.330 -1.297 -4.143 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.995 -3.408 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.347 -2.024 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.453 -0.646 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.981 -2.289 -1.344 1.00 0.00 H new ATOM 387 N SER A 26 -7.138 0.928 -3.980 1.00 0.00 N ATOM 388 CA SER A 26 -7.205 2.368 -3.746 1.00 0.00 C ATOM 389 C SER A 26 -6.409 2.864 -2.528 1.00 0.00 C ATOM 390 O SER A 26 -6.140 2.119 -1.583 1.00 0.00 O ATOM 391 CB SER A 26 -8.677 2.785 -3.671 1.00 0.00 C ATOM 392 OG SER A 26 -9.288 2.567 -4.921 1.00 0.00 O ATOM 0 H SER A 26 -6.762 0.698 -4.900 1.00 0.00 H new ATOM 0 HA SER A 26 -6.713 2.852 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.190 2.213 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.755 3.836 -3.394 1.00 0.00 H new ATOM 0 HG SER A 26 -10.231 2.831 -4.875 1.00 0.00 H new ATOM 398 N PRO A 27 -6.018 4.151 -2.544 1.00 0.00 N ATOM 399 CA PRO A 27 -5.249 4.793 -1.481 1.00 0.00 C ATOM 400 C PRO A 27 -6.010 4.836 -0.156 1.00 0.00 C ATOM 401 O PRO A 27 -5.382 4.842 0.898 1.00 0.00 O ATOM 402 CB PRO A 27 -4.944 6.205 -1.980 1.00 0.00 C ATOM 403 CG PRO A 27 -5.954 6.458 -3.095 1.00 0.00 C ATOM 404 CD PRO A 27 -6.286 5.075 -3.634 1.00 0.00 C ATOM 0 HA PRO A 27 -4.340 4.228 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.049 6.937 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.921 6.280 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.844 6.960 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.534 7.096 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.328 5.017 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.677 4.838 -4.506 1.00 0.00 H new ATOM 412 N ASP A 28 -7.341 4.867 -0.188 1.00 0.00 N ATOM 413 CA ASP A 28 -8.123 4.962 1.035 1.00 0.00 C ATOM 414 C ASP A 28 -8.025 3.696 1.873 1.00 0.00 C ATOM 415 O ASP A 28 -7.870 3.774 3.094 1.00 0.00 O ATOM 416 CB ASP A 28 -9.583 5.174 0.662 1.00 0.00 C ATOM 417 CG ASP A 28 -10.431 5.451 1.897 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.931 4.467 2.491 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.577 6.644 2.237 1.00 0.00 O ATOM 0 H ASP A 28 -7.894 4.828 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.731 5.793 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.666 6.008 -0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.962 4.291 0.148 1.00 0.00 H new ATOM 424 N THR A 29 -8.114 2.527 1.231 1.00 0.00 N ATOM 425 CA THR A 29 -8.057 1.275 1.968 1.00 0.00 C ATOM 426 C THR A 29 -6.664 1.133 2.536 1.00 0.00 C ATOM 427 O THR A 29 -6.495 0.727 3.681 1.00 0.00 O ATOM 428 CB THR A 29 -8.352 0.094 1.038 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.553 0.334 0.336 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.502 -1.193 1.843 1.00 0.00 C ATOM 0 H THR A 29 -8.224 2.428 0.222 1.00 0.00 H new ATOM 0 HA THR A 29 -8.801 1.279 2.764 1.00 0.00 H new ATOM 0 HB THR A 29 -7.522 -0.013 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.368 0.369 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.711 -2.022 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.578 -1.392 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.324 -1.086 2.551 1.00 0.00 H new ATOM 437 N LEU A 30 -5.652 1.468 1.731 1.00 0.00 N ATOM 438 CA LEU A 30 -4.277 1.398 2.181 1.00 0.00 C ATOM 439 C LEU A 30 -4.063 2.351 3.351 1.00 0.00 C ATOM 440 O LEU A 30 -3.271 2.057 4.241 1.00 0.00 O ATOM 441 CB LEU A 30 -3.357 1.800 1.029 1.00 0.00 C ATOM 442 CG LEU A 30 -3.458 0.836 -0.153 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.838 1.504 -1.374 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.719 -0.463 0.149 1.00 0.00 C ATOM 0 H LEU A 30 -5.768 1.788 0.769 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.052 0.381 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.611 2.807 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.327 1.832 1.383 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.505 0.599 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.901 0.830 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.376 2.425 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.792 1.735 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.803 -1.136 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.668 -0.248 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.158 -0.935 1.028 1.00 0.00 H new ATOM 456 N ARG A 31 -4.762 3.493 3.361 1.00 0.00 N ATOM 457 CA ARG A 31 -4.568 4.486 4.401 1.00 0.00 C ATOM 458 C ARG A 31 -4.879 3.874 5.760 1.00 0.00 C ATOM 459 O ARG A 31 -4.033 3.891 6.649 1.00 0.00 O ATOM 460 CB ARG A 31 -5.478 5.692 4.128 1.00 0.00 C ATOM 461 CG ARG A 31 -4.915 7.002 4.685 1.00 0.00 C ATOM 462 CD ARG A 31 -4.443 6.887 6.130 1.00 0.00 C ATOM 463 NE ARG A 31 -4.035 8.195 6.662 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.828 9.017 7.353 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.092 8.686 7.620 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.355 10.182 7.787 1.00 0.00 N ATOM 0 H ARG A 31 -5.461 3.743 2.661 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.531 4.821 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.625 5.794 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.458 5.508 4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.081 7.325 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.680 7.775 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.243 6.475 6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.606 6.191 6.188 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.076 8.497 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.465 7.794 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.686 9.325 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.389 10.445 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.958 10.812 8.315 1.00 0.00 H new ATOM 480 N ARG A 32 -6.085 3.333 5.920 1.00 0.00 N ATOM 481 CA ARG A 32 -6.526 2.756 7.190 1.00 0.00 C ATOM 482 C ARG A 32 -5.996 1.335 7.406 1.00 0.00 C ATOM 483 O ARG A 32 -6.214 0.756 8.468 1.00 0.00 O ATOM 484 CB ARG A 32 -8.050 2.809 7.242 1.00 0.00 C ATOM 485 CG ARG A 32 -8.664 1.916 6.161 1.00 0.00 C ATOM 486 CD ARG A 32 -9.870 2.595 5.512 1.00 0.00 C ATOM 487 NE ARG A 32 -10.945 2.837 6.481 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.031 3.575 6.220 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.203 4.144 5.031 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.956 3.746 7.157 1.00 0.00 N ATOM 0 H ARG A 32 -6.782 3.282 5.177 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.111 3.345 8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.396 2.488 8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.387 3.837 7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.916 1.691 5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.969 0.966 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.560 3.541 5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.245 1.971 4.701 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.860 2.419 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.502 4.021 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.036 4.703 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.839 3.315 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.784 4.308 6.960 1.00 0.00 H new ATOM 504 N VAL A 33 -5.302 0.777 6.409 1.00 0.00 N ATOM 505 CA VAL A 33 -4.648 -0.521 6.516 1.00 0.00 C ATOM 506 C VAL A 33 -3.198 -0.369 6.960 1.00 0.00 C ATOM 507 O VAL A 33 -2.570 -1.342 7.377 1.00 0.00 O ATOM 508 CB VAL A 33 -4.723 -1.216 5.155 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.686 -2.323 4.982 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.113 -1.833 5.017 1.00 0.00 C ATOM 0 H VAL A 33 -5.180 1.221 5.499 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.157 -1.122 7.269 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.520 -0.465 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.796 -2.773 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.685 -1.903 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.836 -3.085 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.194 -2.336 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.272 -2.555 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.867 -1.049 5.081 1.00 0.00 H new ATOM 520 N PHE A 34 -2.657 0.843 6.881 1.00 0.00 N ATOM 521 CA PHE A 34 -1.264 1.085 7.205 1.00 0.00 C ATOM 522 C PHE A 34 -1.121 2.121 8.305 1.00 0.00 C ATOM 523 O PHE A 34 -0.256 1.983 9.170 1.00 0.00 O ATOM 524 CB PHE A 34 -0.548 1.538 5.934 1.00 0.00 C ATOM 525 CG PHE A 34 -0.031 0.401 5.099 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.123 -0.267 5.513 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.693 0.013 3.933 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.622 -1.342 4.760 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.192 -1.050 3.170 1.00 0.00 C ATOM 530 CZ PHE A 34 0.958 -1.735 3.592 1.00 0.00 C ATOM 0 H PHE A 34 -3.171 1.676 6.593 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.814 0.165 7.579 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.234 2.136 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.285 2.186 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.632 0.043 6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.588 0.530 3.620 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.513 -1.862 5.080 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.691 -1.342 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.332 -2.567 3.014 1.00 0.00 H new ATOM 540 N GLU A 35 -1.951 3.161 8.294 1.00 0.00 N ATOM 541 CA GLU A 35 -1.861 4.164 9.338 1.00 0.00 C ATOM 542 C GLU A 35 -2.268 3.567 10.679 1.00 0.00 C ATOM 543 O GLU A 35 -1.969 4.125 11.734 1.00 0.00 O ATOM 544 CB GLU A 35 -2.701 5.397 8.998 1.00 0.00 C ATOM 545 CG GLU A 35 -4.177 5.267 9.381 1.00 0.00 C ATOM 546 CD GLU A 35 -4.442 5.599 10.848 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.921 6.635 11.315 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.167 4.808 11.492 1.00 0.00 O ATOM 0 H GLU A 35 -2.673 3.325 7.592 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.824 4.492 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.279 6.264 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.629 5.589 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.770 5.930 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.512 4.250 9.178 1.00 0.00 H new ATOM 555 N LYS A 36 -2.961 2.424 10.632 1.00 0.00 N ATOM 556 CA LYS A 36 -3.478 1.766 11.817 1.00 0.00 C ATOM 557 C LYS A 36 -2.356 1.384 12.771 1.00 0.00 C ATOM 558 O LYS A 36 -2.549 1.382 13.985 1.00 0.00 O ATOM 559 CB LYS A 36 -4.261 0.520 11.397 1.00 0.00 C ATOM 560 CG LYS A 36 -3.360 -0.536 10.740 1.00 0.00 C ATOM 561 CD LYS A 36 -4.167 -1.654 10.077 1.00 0.00 C ATOM 562 CE LYS A 36 -5.246 -2.189 11.011 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.882 -3.404 10.465 1.00 0.00 N ATOM 0 H LYS A 36 -3.175 1.935 9.763 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.137 2.458 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.748 0.087 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.050 0.806 10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.726 -0.057 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.698 -0.965 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.628 -1.280 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.499 -2.465 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.808 -2.412 11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.003 -1.421 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.611 -3.741 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.321 -3.184 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.163 -4.144 10.336 1.00 0.00 H new ATOM 577 N TYR A 37 -1.184 1.060 12.220 1.00 0.00 N ATOM 578 CA TYR A 37 -0.045 0.700 13.039 1.00 0.00 C ATOM 579 C TYR A 37 0.594 1.929 13.682 1.00 0.00 C ATOM 580 O TYR A 37 1.303 1.803 14.681 1.00 0.00 O ATOM 581 CB TYR A 37 0.980 -0.017 12.172 1.00 0.00 C ATOM 582 CG TYR A 37 0.451 -1.310 11.596 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.548 -2.493 12.345 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.142 -1.328 10.325 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.037 -3.691 11.829 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.645 -2.525 9.801 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.570 -3.710 10.558 1.00 0.00 C ATOM 588 OH TYR A 37 -1.084 -4.871 10.061 1.00 0.00 O ATOM 0 H TYR A 37 -1.008 1.042 11.215 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.388 0.046 13.841 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.286 0.641 11.358 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.870 -0.225 12.765 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.016 -2.480 13.318 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.211 -0.417 9.749 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.109 -4.601 12.406 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.090 -2.539 8.817 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.374 -5.378 9.614 1.00 0.00 H new ATOM 598 N GLY A 38 0.344 3.110 13.114 1.00 0.00 N ATOM 599 CA GLY A 38 0.827 4.358 13.691 1.00 0.00 C ATOM 600 C GLY A 38 0.307 5.573 12.932 1.00 0.00 C ATOM 601 O GLY A 38 -0.475 6.346 13.483 1.00 0.00 O ATOM 0 H GLY A 38 -0.191 3.225 12.253 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.516 4.421 14.734 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.917 4.364 13.683 1.00 0.00 H new ATOM 605 N ARG A 39 0.734 5.741 11.672 1.00 0.00 N ATOM 606 CA ARG A 39 0.253 6.820 10.819 1.00 0.00 C ATOM 607 C ARG A 39 0.711 6.603 9.383 1.00 0.00 C ATOM 608 O ARG A 39 1.558 5.755 9.117 1.00 0.00 O ATOM 609 CB ARG A 39 0.799 8.162 11.327 1.00 0.00 C ATOM 610 CG ARG A 39 -0.115 9.344 11.013 1.00 0.00 C ATOM 611 CD ARG A 39 -1.458 9.171 11.717 1.00 0.00 C ATOM 612 NE ARG A 39 -2.260 10.397 11.645 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.595 10.440 11.660 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.317 9.324 11.719 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.219 11.612 11.613 1.00 0.00 N ATOM 0 H ARG A 39 1.419 5.132 11.224 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.837 6.830 10.849 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.946 8.102 12.405 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.778 8.340 10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.356 10.273 11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.267 9.420 9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.007 8.348 11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.292 8.903 12.761 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.761 11.284 11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.852 8.417 11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.336 9.376 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.679 12.476 11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.238 11.648 11.624 1.00 0.00 H new ATOM 629 N VAL A 40 0.139 7.384 8.470 1.00 0.00 N ATOM 630 CA VAL A 40 0.511 7.380 7.064 1.00 0.00 C ATOM 631 C VAL A 40 0.735 8.819 6.631 1.00 0.00 C ATOM 632 O VAL A 40 -0.211 9.552 6.350 1.00 0.00 O ATOM 633 CB VAL A 40 -0.586 6.703 6.239 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.391 6.918 4.746 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.549 5.193 6.422 1.00 0.00 C ATOM 0 H VAL A 40 -0.605 8.045 8.692 1.00 0.00 H new ATOM 0 HA VAL A 40 1.430 6.815 6.905 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.521 7.143 6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.192 6.420 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.410 7.986 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.569 6.502 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.338 4.735 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.419 4.811 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.701 4.950 7.474 1.00 0.00 H new ATOM 645 N GLY A 41 2.011 9.213 6.580 1.00 0.00 N ATOM 646 CA GLY A 41 2.408 10.541 6.140 1.00 0.00 C ATOM 647 C GLY A 41 2.007 10.817 4.695 1.00 0.00 C ATOM 648 O GLY A 41 1.800 11.973 4.326 1.00 0.00 O ATOM 0 H GLY A 41 2.794 8.615 6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.952 11.288 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.488 10.647 6.241 1.00 0.00 H new ATOM 652 N ASP A 42 1.890 9.768 3.874 1.00 0.00 N ATOM 653 CA ASP A 42 1.530 9.883 2.469 1.00 0.00 C ATOM 654 C ASP A 42 0.921 8.567 1.994 1.00 0.00 C ATOM 655 O ASP A 42 1.363 7.494 2.393 1.00 0.00 O ATOM 656 CB ASP A 42 2.799 10.132 1.653 1.00 0.00 C ATOM 657 CG ASP A 42 3.271 11.580 1.725 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.498 12.464 1.296 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.406 11.786 2.208 1.00 0.00 O ATOM 0 H ASP A 42 2.046 8.806 4.177 1.00 0.00 H new ATOM 0 HA ASP A 42 0.819 10.699 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.592 9.477 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.615 9.866 0.612 1.00 0.00 H new ATOM 664 N VAL A 43 -0.094 8.638 1.134 1.00 0.00 N ATOM 665 CA VAL A 43 -0.702 7.450 0.551 1.00 0.00 C ATOM 666 C VAL A 43 -1.215 7.817 -0.835 1.00 0.00 C ATOM 667 O VAL A 43 -2.126 8.635 -0.972 1.00 0.00 O ATOM 668 CB VAL A 43 -1.782 6.898 1.501 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.214 7.310 1.175 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.720 5.377 1.599 1.00 0.00 C ATOM 0 H VAL A 43 -0.513 9.515 0.826 1.00 0.00 H new ATOM 0 HA VAL A 43 0.017 6.640 0.427 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.536 7.358 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.894 6.869 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.298 8.396 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.475 6.960 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.496 5.024 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.876 4.942 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.743 5.076 1.978 1.00 0.00 H new ATOM 680 N TYR A 44 -0.631 7.225 -1.877 1.00 0.00 N ATOM 681 CA TYR A 44 -1.089 7.477 -3.232 1.00 0.00 C ATOM 682 C TYR A 44 -0.774 6.306 -4.154 1.00 0.00 C ATOM 683 O TYR A 44 -0.009 5.413 -3.793 1.00 0.00 O ATOM 684 CB TYR A 44 -0.479 8.774 -3.765 1.00 0.00 C ATOM 685 CG TYR A 44 0.873 8.627 -4.426 1.00 0.00 C ATOM 686 CD1 TYR A 44 0.940 8.366 -5.800 1.00 0.00 C ATOM 687 CD2 TYR A 44 2.054 8.750 -3.679 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.179 8.234 -6.437 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.300 8.628 -4.309 1.00 0.00 C ATOM 690 CZ TYR A 44 3.369 8.367 -5.694 1.00 0.00 C ATOM 691 OH TYR A 44 4.577 8.251 -6.312 1.00 0.00 O ATOM 0 H TYR A 44 0.152 6.575 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.173 7.588 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.171 9.213 -4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.387 9.479 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.029 8.266 -6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.003 8.939 -2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.223 8.030 -7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.208 8.734 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 44 5.000 7.408 -6.047 1.00 0.00 H new ATOM 701 N ILE A 45 -1.370 6.322 -5.349 1.00 0.00 N ATOM 702 CA ILE A 45 -1.198 5.274 -6.346 1.00 0.00 C ATOM 703 C ILE A 45 -0.696 5.916 -7.646 1.00 0.00 C ATOM 704 O ILE A 45 -1.425 6.684 -8.266 1.00 0.00 O ATOM 705 CB ILE A 45 -2.532 4.535 -6.556 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.882 3.530 -5.450 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.467 3.718 -7.845 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.085 4.168 -4.084 1.00 0.00 C ATOM 0 H ILE A 45 -1.991 7.073 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.464 4.540 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.287 5.321 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.790 2.997 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.086 2.789 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.412 3.195 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.285 4.384 -8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.658 2.991 -7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.329 3.396 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.170 4.677 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.901 4.889 -4.137 1.00 0.00 H new ATOM 720 N PRO A 46 0.542 5.606 -8.063 1.00 0.00 N ATOM 721 CA PRO A 46 1.169 6.075 -9.293 1.00 0.00 C ATOM 722 C PRO A 46 0.578 5.413 -10.548 1.00 0.00 C ATOM 723 O PRO A 46 1.320 5.027 -11.459 1.00 0.00 O ATOM 724 CB PRO A 46 2.654 5.746 -9.135 1.00 0.00 C ATOM 725 CG PRO A 46 2.643 4.517 -8.232 1.00 0.00 C ATOM 726 CD PRO A 46 1.455 4.761 -7.315 1.00 0.00 C ATOM 0 HA PRO A 46 0.996 7.142 -9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.125 5.536 -10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.204 6.572 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.525 3.598 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.572 4.424 -7.669 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.978 3.822 -7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.768 5.247 -6.391 1.00 0.00 H new ATOM 900 N GLY A 56 -0.448 -1.355 -11.139 1.00 0.00 N ATOM 901 CA GLY A 56 -0.485 -2.547 -10.299 1.00 0.00 C ATOM 902 C GLY A 56 0.248 -2.367 -8.970 1.00 0.00 C ATOM 903 O GLY A 56 0.517 -3.357 -8.297 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.523 -2.813 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.040 -3.381 -10.842 1.00 0.00 H new ATOM 907 N PHE A 57 0.576 -1.130 -8.586 1.00 0.00 N ATOM 908 CA PHE A 57 1.282 -0.860 -7.342 1.00 0.00 C ATOM 909 C PHE A 57 0.901 0.509 -6.801 1.00 0.00 C ATOM 910 O PHE A 57 0.474 1.389 -7.545 1.00 0.00 O ATOM 911 CB PHE A 57 2.788 -0.940 -7.573 1.00 0.00 C ATOM 912 CG PHE A 57 3.412 0.231 -8.294 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.219 0.422 -9.672 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.199 1.136 -7.563 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.808 1.523 -10.311 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.791 2.229 -8.207 1.00 0.00 C ATOM 917 CZ PHE A 57 4.584 2.433 -9.577 1.00 0.00 C ATOM 0 H PHE A 57 0.358 -0.295 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 57 0.997 -1.611 -6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.278 -1.048 -6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.000 -1.846 -8.141 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.619 -0.276 -10.237 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.348 0.989 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.664 1.671 -11.371 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.408 2.916 -7.647 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.021 3.290 -10.068 1.00 0.00 H new ATOM 927 N ALA A 58 1.059 0.673 -5.487 1.00 0.00 N ATOM 928 CA ALA A 58 0.753 1.910 -4.799 1.00 0.00 C ATOM 929 C ALA A 58 2.052 2.557 -4.361 1.00 0.00 C ATOM 930 O ALA A 58 3.127 2.227 -4.861 1.00 0.00 O ATOM 931 CB ALA A 58 -0.143 1.616 -3.593 1.00 0.00 C ATOM 0 H ALA A 58 1.407 -0.062 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 58 0.221 2.592 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.373 2.547 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.069 1.151 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.374 0.940 -2.912 1.00 0.00 H new ATOM 937 N PHE A 59 1.950 3.492 -3.422 1.00 0.00 N ATOM 938 CA PHE A 59 3.085 4.194 -2.863 1.00 0.00 C ATOM 939 C PHE A 59 2.642 4.777 -1.545 1.00 0.00 C ATOM 940 O PHE A 59 2.532 5.996 -1.391 1.00 0.00 O ATOM 941 CB PHE A 59 3.554 5.250 -3.862 1.00 0.00 C ATOM 942 CG PHE A 59 5.050 5.442 -3.954 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.829 5.677 -2.812 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.665 5.385 -5.215 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.214 5.866 -2.932 1.00 0.00 C ATOM 946 CE2 PHE A 59 7.048 5.571 -5.335 1.00 0.00 C ATOM 947 CZ PHE A 59 7.823 5.808 -4.192 1.00 0.00 C ATOM 0 H PHE A 59 1.057 3.784 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 59 3.937 3.539 -2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.179 4.982 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.099 6.204 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.362 5.713 -1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.069 5.197 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.811 6.056 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.516 5.532 -6.307 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.890 5.946 -4.283 1.00 0.00 H new ATOM 957 N VAL A 60 2.378 3.897 -0.575 1.00 0.00 N ATOM 958 CA VAL A 60 2.181 4.483 0.744 1.00 0.00 C ATOM 959 C VAL A 60 3.562 4.877 1.232 1.00 0.00 C ATOM 960 O VAL A 60 4.517 4.136 1.000 1.00 0.00 O ATOM 961 CB VAL A 60 1.461 3.604 1.769 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.387 2.697 1.168 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.386 2.893 2.757 1.00 0.00 C ATOM 0 H VAL A 60 2.302 2.883 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 60 1.502 5.329 0.642 1.00 0.00 H new ATOM 0 HB VAL A 60 0.911 4.317 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.076 2.107 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.372 3.307 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.842 2.029 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.791 2.293 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.072 2.245 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.955 3.633 3.319 1.00 0.00 H new ATOM 973 N ARG A 61 3.671 6.026 1.892 1.00 0.00 N ATOM 974 CA ARG A 61 4.933 6.494 2.422 1.00 0.00 C ATOM 975 C ARG A 61 4.758 6.955 3.842 1.00 0.00 C ATOM 976 O ARG A 61 3.801 7.636 4.202 1.00 0.00 O ATOM 977 CB ARG A 61 5.573 7.542 1.508 1.00 0.00 C ATOM 978 CG ARG A 61 6.499 8.478 2.292 1.00 0.00 C ATOM 979 CD ARG A 61 7.240 9.448 1.373 1.00 0.00 C ATOM 980 NE ARG A 61 8.331 10.112 2.101 1.00 0.00 N ATOM 981 CZ ARG A 61 8.227 11.260 2.782 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.082 11.932 2.853 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.295 11.742 3.404 1.00 0.00 N ATOM 0 H ARG A 61 2.886 6.652 2.070 1.00 0.00 H new ATOM 0 HA ARG A 61 5.641 5.666 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.139 7.043 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.793 8.125 1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.914 9.042 3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.222 7.886 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.642 8.910 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.546 10.194 0.986 1.00 0.00 H new ATOM 0 HE ARG A 61 9.245 9.660 2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.251 11.575 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.034 12.804 3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.181 11.239 3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.230 12.616 3.926 1.00 0.00 H new ATOM 997 N PHE A 62 5.737 6.544 4.642 1.00 0.00 N ATOM 998 CA PHE A 62 5.710 6.828 6.067 1.00 0.00 C ATOM 999 C PHE A 62 6.773 7.846 6.404 1.00 0.00 C ATOM 1000 O PHE A 62 7.902 7.745 5.924 1.00 0.00 O ATOM 1001 CB PHE A 62 5.908 5.555 6.872 1.00 0.00 C ATOM 1002 CG PHE A 62 4.655 4.732 7.041 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.741 4.558 5.985 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.396 4.151 8.286 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.560 3.828 6.176 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.236 3.395 8.477 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.324 3.240 7.428 1.00 0.00 C ATOM 0 H PHE A 62 6.552 6.017 4.328 1.00 0.00 H new ATOM 0 HA PHE A 62 4.734 7.239 6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.668 4.944 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.293 5.817 7.857 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.952 4.991 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.092 4.286 9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.845 3.720 5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.044 2.931 9.433 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.426 2.660 7.584 1.00 0.00 H new ATOM 1017 N HIS A 63 6.379 8.809 7.238 1.00 0.00 N ATOM 1018 CA HIS A 63 7.191 9.922 7.709 1.00 0.00 C ATOM 1019 C HIS A 63 8.063 9.515 8.894 1.00 0.00 C ATOM 1020 O HIS A 63 8.890 10.298 9.359 1.00 0.00 O ATOM 1021 CB HIS A 63 6.233 11.037 8.133 1.00 0.00 C ATOM 1022 CG HIS A 63 5.189 10.564 9.118 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.387 9.554 10.061 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.910 11.025 9.225 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.225 9.424 10.711 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.321 10.301 10.238 1.00 0.00 N ATOM 0 H HIS A 63 5.434 8.831 7.621 1.00 0.00 H new ATOM 0 HA HIS A 63 7.859 10.252 6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.804 11.852 8.578 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.737 11.440 7.250 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.450 11.803 8.633 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.039 8.715 11.504 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.364 10.411 10.572 1.00 0.00 H new ATOM 1034 N ASP A 64 7.872 8.288 9.388 1.00 0.00 N ATOM 1035 CA ASP A 64 8.560 7.781 10.561 1.00 0.00 C ATOM 1036 C ASP A 64 8.759 6.280 10.409 1.00 0.00 C ATOM 1037 O ASP A 64 7.804 5.502 10.404 1.00 0.00 O ATOM 1038 CB ASP A 64 7.748 8.109 11.818 1.00 0.00 C ATOM 1039 CG ASP A 64 8.514 7.780 13.104 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.406 6.902 13.052 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.202 8.418 14.137 1.00 0.00 O ATOM 0 H ASP A 64 7.225 7.617 8.973 1.00 0.00 H new ATOM 0 HA ASP A 64 9.537 8.254 10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.486 9.167 11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.813 7.549 11.801 1.00 0.00 H new ATOM 1046 N LYS A 65 10.026 5.891 10.283 1.00 0.00 N ATOM 1047 CA LYS A 65 10.453 4.519 10.094 1.00 0.00 C ATOM 1048 C LYS A 65 9.951 3.585 11.190 1.00 0.00 C ATOM 1049 O LYS A 65 9.828 2.392 10.943 1.00 0.00 O ATOM 1050 CB LYS A 65 11.981 4.497 10.041 1.00 0.00 C ATOM 1051 CG LYS A 65 12.574 4.781 11.424 1.00 0.00 C ATOM 1052 CD LYS A 65 14.072 5.087 11.351 1.00 0.00 C ATOM 1053 CE LYS A 65 14.327 6.401 10.610 1.00 0.00 C ATOM 1054 NZ LYS A 65 15.767 6.713 10.548 1.00 0.00 N ATOM 0 H LYS A 65 10.805 6.549 10.312 1.00 0.00 H new ATOM 0 HA LYS A 65 10.023 4.153 9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.324 3.525 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.336 5.241 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.053 5.625 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.410 3.921 12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.484 5.147 12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.589 4.273 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.924 6.335 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.799 7.212 11.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.906 7.609 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.145 6.800 11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.266 5.950 10.048 1.00 0.00 H new ATOM 1068 N ARG A 66 9.661 4.098 12.389 1.00 0.00 N ATOM 1069 CA ARG A 66 9.231 3.249 13.490 1.00 0.00 C ATOM 1070 C ARG A 66 7.812 2.738 13.253 1.00 0.00 C ATOM 1071 O ARG A 66 7.532 1.554 13.443 1.00 0.00 O ATOM 1072 CB ARG A 66 9.297 4.045 14.801 1.00 0.00 C ATOM 1073 CG ARG A 66 10.709 4.572 15.091 1.00 0.00 C ATOM 1074 CD ARG A 66 11.745 3.449 15.119 1.00 0.00 C ATOM 1075 NE ARG A 66 13.082 3.986 15.391 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.204 3.572 14.794 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.190 2.577 13.914 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.361 4.162 15.080 1.00 0.00 N ATOM 0 H ARG A 66 9.717 5.091 12.616 1.00 0.00 H new ATOM 0 HA ARG A 66 9.895 2.387 13.555 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.602 4.883 14.750 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.972 3.411 15.626 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.987 5.302 14.331 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.712 5.092 16.049 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.478 2.720 15.884 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.746 2.924 14.164 1.00 0.00 H new ATOM 0 HE ARG A 66 13.162 4.729 16.086 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.311 2.113 13.682 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.058 2.277 13.470 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.390 4.928 15.753 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.219 3.849 14.626 1.00 0.00 H new ATOM 1092 N ASP A 67 6.913 3.633 12.831 1.00 0.00 N ATOM 1093 CA ASP A 67 5.553 3.242 12.498 1.00 0.00 C ATOM 1094 C ASP A 67 5.573 2.374 11.243 1.00 0.00 C ATOM 1095 O ASP A 67 4.693 1.542 11.044 1.00 0.00 O ATOM 1096 CB ASP A 67 4.691 4.485 12.259 1.00 0.00 C ATOM 1097 CG ASP A 67 4.590 5.361 13.507 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.422 4.789 14.608 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.681 6.600 13.352 1.00 0.00 O ATOM 0 H ASP A 67 7.108 4.627 12.715 1.00 0.00 H new ATOM 0 HA ASP A 67 5.127 2.676 13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.114 5.068 11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.692 4.179 11.949 1.00 0.00 H new ATOM 1104 N ALA A 68 6.586 2.575 10.395 1.00 0.00 N ATOM 1105 CA ALA A 68 6.740 1.816 9.172 1.00 0.00 C ATOM 1106 C ALA A 68 7.306 0.427 9.457 1.00 0.00 C ATOM 1107 O ALA A 68 6.975 -0.517 8.751 1.00 0.00 O ATOM 1108 CB ALA A 68 7.690 2.585 8.261 1.00 0.00 C ATOM 0 H ALA A 68 7.317 3.270 10.546 1.00 0.00 H new ATOM 0 HA ALA A 68 5.768 1.686 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.825 2.036 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.271 3.568 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.654 2.702 8.756 1.00 0.00 H new ATOM 1114 N GLU A 69 8.152 0.294 10.482 1.00 0.00 N ATOM 1115 CA GLU A 69 8.728 -0.985 10.862 1.00 0.00 C ATOM 1116 C GLU A 69 7.642 -1.971 11.252 1.00 0.00 C ATOM 1117 O GLU A 69 7.629 -3.097 10.757 1.00 0.00 O ATOM 1118 CB GLU A 69 9.654 -0.808 12.065 1.00 0.00 C ATOM 1119 CG GLU A 69 11.081 -0.494 11.624 1.00 0.00 C ATOM 1120 CD GLU A 69 12.013 -0.389 12.828 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.526 -1.444 13.260 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.204 0.748 13.312 1.00 0.00 O ATOM 0 H GLU A 69 8.453 1.073 11.067 1.00 0.00 H new ATOM 0 HA GLU A 69 9.283 -1.365 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.281 -0.003 12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.649 -1.716 12.668 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.437 -1.273 10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.096 0.442 11.065 1.00 0.00 H new ATOM 1129 N ASP A 70 6.725 -1.563 12.134 1.00 0.00 N ATOM 1130 CA ASP A 70 5.714 -2.494 12.600 1.00 0.00 C ATOM 1131 C ASP A 70 4.708 -2.800 11.489 1.00 0.00 C ATOM 1132 O ASP A 70 4.330 -3.955 11.294 1.00 0.00 O ATOM 1133 CB ASP A 70 5.004 -1.925 13.821 1.00 0.00 C ATOM 1134 CG ASP A 70 5.970 -1.580 14.953 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.827 -2.434 15.271 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.840 -0.458 15.490 1.00 0.00 O ATOM 0 H ASP A 70 6.667 -0.623 12.525 1.00 0.00 H new ATOM 0 HA ASP A 70 6.203 -3.427 12.881 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.453 -1.030 13.532 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.272 -2.648 14.181 1.00 0.00 H new ATOM 1141 N ALA A 71 4.275 -1.768 10.757 1.00 0.00 N ATOM 1142 CA ALA A 71 3.320 -1.951 9.678 1.00 0.00 C ATOM 1143 C ALA A 71 3.895 -2.892 8.628 1.00 0.00 C ATOM 1144 O ALA A 71 3.212 -3.811 8.191 1.00 0.00 O ATOM 1145 CB ALA A 71 2.988 -0.590 9.064 1.00 0.00 C ATOM 0 H ALA A 71 4.574 -0.803 10.898 1.00 0.00 H new ATOM 0 HA ALA A 71 2.405 -2.396 10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.271 -0.722 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.557 0.058 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.898 -0.135 8.673 1.00 0.00 H new ATOM 1151 N MET A 72 5.150 -2.680 8.217 1.00 0.00 N ATOM 1152 CA MET A 72 5.803 -3.505 7.215 1.00 0.00 C ATOM 1153 C MET A 72 5.978 -4.932 7.725 1.00 0.00 C ATOM 1154 O MET A 72 5.757 -5.883 6.977 1.00 0.00 O ATOM 1155 CB MET A 72 7.161 -2.873 6.905 1.00 0.00 C ATOM 1156 CG MET A 72 8.056 -3.788 6.074 1.00 0.00 C ATOM 1157 SD MET A 72 9.448 -2.921 5.301 1.00 0.00 S ATOM 1158 CE MET A 72 9.955 -1.857 6.679 1.00 0.00 C ATOM 0 H MET A 72 5.737 -1.927 8.576 1.00 0.00 H new ATOM 0 HA MET A 72 5.195 -3.555 6.312 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.008 -1.936 6.370 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.666 -2.628 7.839 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.441 -4.584 6.711 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.457 -4.263 5.297 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.955 -1.467 6.489 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.254 -1.028 6.775 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.961 -2.436 7.603 1.00 0.00 H new ATOM 1168 N ASP A 73 6.370 -5.086 8.992 1.00 0.00 N ATOM 1169 CA ASP A 73 6.532 -6.397 9.598 1.00 0.00 C ATOM 1170 C ASP A 73 5.178 -7.085 9.792 1.00 0.00 C ATOM 1171 O ASP A 73 5.122 -8.252 10.178 1.00 0.00 O ATOM 1172 CB ASP A 73 7.269 -6.249 10.932 1.00 0.00 C ATOM 1173 CG ASP A 73 7.601 -7.605 11.551 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.391 -8.348 10.926 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.065 -7.887 12.645 1.00 0.00 O ATOM 0 H ASP A 73 6.581 -4.308 9.617 1.00 0.00 H new ATOM 0 HA ASP A 73 7.122 -7.027 8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.189 -5.685 10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.654 -5.674 11.625 1.00 0.00 H new ATOM 1180 N ALA A 74 4.081 -6.366 9.524 1.00 0.00 N ATOM 1181 CA ALA A 74 2.735 -6.884 9.677 1.00 0.00 C ATOM 1182 C ALA A 74 1.897 -6.728 8.402 1.00 0.00 C ATOM 1183 O ALA A 74 0.700 -7.011 8.420 1.00 0.00 O ATOM 1184 CB ALA A 74 2.084 -6.161 10.858 1.00 0.00 C ATOM 0 H ALA A 74 4.113 -5.402 9.193 1.00 0.00 H new ATOM 0 HA ALA A 74 2.785 -7.956 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.068 -6.532 10.996 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.664 -6.346 11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.055 -5.090 10.658 1.00 0.00 H new ATOM 1190 N MET A 75 2.513 -6.286 7.297 1.00 0.00 N ATOM 1191 CA MET A 75 1.807 -6.075 6.040 1.00 0.00 C ATOM 1192 C MET A 75 2.566 -6.606 4.823 1.00 0.00 C ATOM 1193 O MET A 75 1.955 -6.803 3.774 1.00 0.00 O ATOM 1194 CB MET A 75 1.533 -4.582 5.836 1.00 0.00 C ATOM 1195 CG MET A 75 0.377 -4.098 6.714 1.00 0.00 C ATOM 1196 SD MET A 75 -1.211 -4.891 6.345 1.00 0.00 S ATOM 1197 CE MET A 75 -1.231 -4.655 4.552 1.00 0.00 C ATOM 0 H MET A 75 3.509 -6.068 7.256 1.00 0.00 H new ATOM 0 HA MET A 75 0.876 -6.636 6.117 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.432 -4.011 6.069 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.299 -4.394 4.788 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.628 -4.279 7.759 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.270 -3.020 6.594 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.224 -4.886 4.166 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.982 -3.620 4.318 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.499 -5.317 4.090 1.00 0.00 H new ATOM 1207 N ASP A 76 3.877 -6.845 4.919 1.00 0.00 N ATOM 1208 CA ASP A 76 4.622 -7.395 3.800 1.00 0.00 C ATOM 1209 C ASP A 76 4.166 -8.826 3.514 1.00 0.00 C ATOM 1210 O ASP A 76 4.267 -9.704 4.373 1.00 0.00 O ATOM 1211 CB ASP A 76 6.123 -7.343 4.086 1.00 0.00 C ATOM 1212 CG ASP A 76 6.917 -7.773 2.858 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.578 -7.282 1.758 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.854 -8.585 3.020 1.00 0.00 O ATOM 0 H ASP A 76 4.434 -6.666 5.755 1.00 0.00 H new ATOM 0 HA ASP A 76 4.426 -6.793 2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.409 -6.332 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.362 -7.994 4.927 1.00 0.00 H new ATOM 1219 N GLY A 77 3.659 -9.054 2.302 1.00 0.00 N ATOM 1220 CA GLY A 77 3.170 -10.354 1.862 1.00 0.00 C ATOM 1221 C GLY A 77 1.916 -10.776 2.623 1.00 0.00 C ATOM 1222 O GLY A 77 1.607 -11.964 2.704 1.00 0.00 O ATOM 0 H GLY A 77 3.577 -8.328 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.952 -10.318 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.950 -11.102 2.003 1.00 0.00 H new ATOM 1226 N ALA A 78 1.192 -9.803 3.180 1.00 0.00 N ATOM 1227 CA ALA A 78 0.018 -10.042 4.010 1.00 0.00 C ATOM 1228 C ALA A 78 -1.231 -10.317 3.169 1.00 0.00 C ATOM 1229 O ALA A 78 -2.310 -10.505 3.728 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.200 -8.836 4.918 1.00 0.00 C ATOM 0 H ALA A 78 1.411 -8.814 3.063 1.00 0.00 H new ATOM 0 HA ALA A 78 0.194 -10.933 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.077 -9.005 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.676 -8.694 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.355 -7.945 4.309 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.084 -10.341 1.836 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.163 -10.591 0.878 1.00 0.00 C ATOM 1238 C VAL A 79 -3.490 -9.977 1.331 1.00 0.00 C ATOM 1239 O VAL A 79 -4.425 -10.662 1.735 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.212 -12.079 0.476 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.001 -13.024 1.656 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.457 -12.430 -0.313 1.00 0.00 C ATOM 0 H VAL A 79 -0.183 -10.182 1.385 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.945 -10.062 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.364 -12.228 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.047 -14.056 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.025 -12.835 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.780 -12.857 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.439 -13.489 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.341 -12.217 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.488 -11.836 -1.227 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.544 -8.644 1.258 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.710 -7.842 1.560 1.00 0.00 C ATOM 1254 C LEU A 80 -5.948 -8.346 0.828 1.00 0.00 C ATOM 1255 O LEU A 80 -6.953 -8.667 1.459 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.356 -6.413 1.126 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.338 -5.331 1.569 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -6.743 -5.525 1.015 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.348 -5.296 3.095 1.00 0.00 C ATOM 0 H LEU A 80 -2.741 -8.082 0.975 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.955 -7.892 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.369 -6.167 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.282 -6.390 0.039 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.002 -4.377 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.388 -4.721 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.710 -5.510 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.138 -6.483 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.043 -4.529 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.661 -6.267 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.347 -5.067 3.460 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.879 -8.418 -0.507 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.056 -8.718 -1.312 1.00 0.00 C ATOM 1273 C ASP A 81 -6.987 -10.125 -1.916 1.00 0.00 C ATOM 1274 O ASP A 81 -8.017 -10.714 -2.240 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.193 -7.679 -2.429 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.524 -7.838 -3.160 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.548 -7.397 -2.597 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -8.505 -8.397 -4.281 1.00 0.00 O ATOM 0 H ASP A 81 -5.024 -8.273 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.928 -8.679 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.122 -6.676 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.370 -7.788 -3.135 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.772 -10.661 -2.067 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.546 -11.973 -2.666 1.00 0.00 C ATOM 1285 C GLY A 82 -4.448 -11.931 -3.722 1.00 0.00 C ATOM 1286 O GLY A 82 -4.484 -12.695 -4.684 1.00 0.00 O ATOM 0 H GLY A 82 -4.915 -10.191 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.275 -12.686 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.471 -12.331 -3.118 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.472 -11.034 -3.544 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.383 -10.834 -4.500 1.00 0.00 C ATOM 1292 C ARG A 83 -1.006 -10.830 -3.838 1.00 0.00 C ATOM 1293 O ARG A 83 -0.008 -11.072 -4.515 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.614 -9.500 -5.212 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.897 -8.418 -4.162 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.495 -7.051 -4.686 1.00 0.00 C ATOM 1297 NE ARG A 83 -2.619 -6.038 -3.632 1.00 0.00 N ATOM 1298 CZ ARG A 83 -3.779 -5.538 -3.202 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -4.932 -5.924 -3.742 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.797 -4.642 -2.223 1.00 0.00 N ATOM 0 H ARG A 83 -3.417 -10.425 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.390 -11.668 -5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.738 -9.232 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.452 -9.582 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.957 -8.419 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.348 -8.639 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.468 -7.082 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.125 -6.781 -5.534 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.762 -5.693 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.937 -6.611 -4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.811 -5.533 -3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.923 -4.334 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.685 -4.261 -1.896 1.00 0.00 H new ATOM 1314 N GLU A 84 -0.959 -10.556 -2.529 1.00 0.00 N ATOM 1315 CA GLU A 84 0.229 -10.637 -1.680 1.00 0.00 C ATOM 1316 C GLU A 84 0.912 -9.273 -1.636 1.00 0.00 C ATOM 1317 O GLU A 84 1.901 -9.038 -2.323 1.00 0.00 O ATOM 1318 CB GLU A 84 1.157 -11.797 -2.068 1.00 0.00 C ATOM 1319 CG GLU A 84 1.522 -12.580 -0.807 1.00 0.00 C ATOM 1320 CD GLU A 84 2.615 -13.604 -1.093 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.783 -13.178 -1.205 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.272 -14.805 -1.199 1.00 0.00 O ATOM 0 H GLU A 84 -1.787 -10.259 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.074 -10.882 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.664 -12.450 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.058 -11.415 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.859 -11.891 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.637 -13.086 -0.421 1.00 0.00 H new ATOM 1329 N LEU A 85 0.356 -8.381 -0.808 1.00 0.00 N ATOM 1330 CA LEU A 85 0.820 -7.020 -0.580 1.00 0.00 C ATOM 1331 C LEU A 85 2.346 -6.986 -0.430 1.00 0.00 C ATOM 1332 O LEU A 85 2.957 -7.971 -0.027 1.00 0.00 O ATOM 1333 CB LEU A 85 0.099 -6.534 0.692 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.249 -5.044 0.769 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.966 -4.135 0.692 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.211 -4.650 -0.348 1.00 0.00 C ATOM 0 H LEU A 85 -0.470 -8.606 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 85 0.592 -6.365 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.825 -7.103 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.724 -6.781 1.550 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.714 -4.908 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.646 -3.095 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.639 -4.357 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.485 -4.301 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.442 -3.588 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.749 -4.852 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.130 -5.229 -0.258 1.00 0.00 H new ATOM 1348 N ARG A 86 2.971 -5.856 -0.754 1.00 0.00 N ATOM 1349 CA ARG A 86 4.415 -5.696 -0.667 1.00 0.00 C ATOM 1350 C ARG A 86 4.743 -4.430 0.100 1.00 0.00 C ATOM 1351 O ARG A 86 4.157 -3.381 -0.160 1.00 0.00 O ATOM 1352 CB ARG A 86 5.005 -5.599 -2.072 1.00 0.00 C ATOM 1353 CG ARG A 86 4.788 -6.871 -2.898 1.00 0.00 C ATOM 1354 CD ARG A 86 5.541 -8.043 -2.272 1.00 0.00 C ATOM 1355 NE ARG A 86 5.374 -9.268 -3.070 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.971 -10.441 -2.576 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.662 -10.584 -1.289 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.872 -11.505 -3.370 1.00 0.00 N ATOM 0 H ARG A 86 2.484 -5.023 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 86 4.840 -6.556 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.556 -4.753 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.074 -5.397 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.724 -7.101 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.132 -6.713 -3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.600 -7.798 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.177 -8.213 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 86 5.580 -9.218 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.731 -9.787 -0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.356 -11.491 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.104 -11.426 -4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.564 -12.399 -2.988 1.00 0.00 H new ATOM 1372 N VAL A 87 5.682 -4.524 1.043 1.00 0.00 N ATOM 1373 CA VAL A 87 6.067 -3.381 1.851 1.00 0.00 C ATOM 1374 C VAL A 87 7.580 -3.339 2.022 1.00 0.00 C ATOM 1375 O VAL A 87 8.218 -4.364 2.266 1.00 0.00 O ATOM 1376 CB VAL A 87 5.369 -3.456 3.210 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.593 -2.135 3.939 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.872 -3.742 3.078 1.00 0.00 C ATOM 0 H VAL A 87 6.186 -5.383 1.261 1.00 0.00 H new ATOM 0 HA VAL A 87 5.759 -2.465 1.348 1.00 0.00 H new ATOM 0 HB VAL A 87 5.796 -4.284 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.102 -2.168 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.662 -1.972 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.175 -1.319 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.421 -3.786 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.400 -2.948 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.727 -4.696 2.571 1.00 0.00 H new ATOM 1388 N GLN A 88 8.143 -2.139 1.883 1.00 0.00 N ATOM 1389 CA GLN A 88 9.581 -1.921 1.929 1.00 0.00 C ATOM 1390 C GLN A 88 9.893 -0.430 2.040 1.00 0.00 C ATOM 1391 O GLN A 88 9.136 0.414 1.576 1.00 0.00 O ATOM 1392 CB GLN A 88 10.217 -2.492 0.659 1.00 0.00 C ATOM 1393 CG GLN A 88 9.484 -2.027 -0.602 1.00 0.00 C ATOM 1394 CD GLN A 88 10.187 -2.477 -1.879 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.413 -2.550 -1.936 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.417 -2.787 -2.918 1.00 0.00 N ATOM 0 H GLN A 88 7.605 -1.285 1.734 1.00 0.00 H new ATOM 0 HA GLN A 88 9.990 -2.425 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.262 -2.185 0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.206 -3.581 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.466 -2.418 -0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.408 -0.940 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.402 -2.716 -2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.841 -3.095 -3.793 1.00 0.00 H new ATOM 1405 N MET A 89 11.027 -0.103 2.658 1.00 0.00 N ATOM 1406 CA MET A 89 11.526 1.256 2.758 1.00 0.00 C ATOM 1407 C MET A 89 11.633 1.902 1.379 1.00 0.00 C ATOM 1408 O MET A 89 12.114 1.294 0.426 1.00 0.00 O ATOM 1409 CB MET A 89 12.885 1.225 3.458 1.00 0.00 C ATOM 1410 CG MET A 89 12.658 0.897 4.929 1.00 0.00 C ATOM 1411 SD MET A 89 12.032 2.301 5.885 1.00 0.00 S ATOM 1412 CE MET A 89 11.359 1.407 7.302 1.00 0.00 C ATOM 0 H MET A 89 11.630 -0.791 3.109 1.00 0.00 H new ATOM 0 HA MET A 89 10.830 1.860 3.340 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.532 0.478 2.998 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.386 2.187 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.952 0.070 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.596 0.557 5.368 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.467 2.015 8.200 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.303 1.196 7.131 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.900 0.470 7.431 1.00 0.00 H new ATOM 1422 N ALA A 90 11.174 3.151 1.280 1.00 0.00 N ATOM 1423 CA ALA A 90 11.224 3.936 0.055 1.00 0.00 C ATOM 1424 C ALA A 90 12.623 4.513 -0.164 1.00 0.00 C ATOM 1425 O ALA A 90 12.872 5.134 -1.195 1.00 0.00 O ATOM 1426 CB ALA A 90 10.188 5.052 0.152 1.00 0.00 C ATOM 0 H ALA A 90 10.751 3.649 2.063 1.00 0.00 H new ATOM 0 HA ALA A 90 10.998 3.298 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.212 5.651 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.196 4.618 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.415 5.686 1.009 1.00 0.00 H new