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 159:sc= -0.141 (180deg=-1.09) USER MOD Set 1.2: A 89 MET CE :methyl 143:sc= -0.0685 (180deg=-0.0455) USER MOD Single : A 15 SER OG : rot 41:sc= 0.109 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0187 (180deg=-0.223) USER MOD Single : A 20 ASN : amide:sc= 0.901 K(o=0.9,f=-7.3!) USER MOD Single : A 22 THR OG1 : rot -44:sc= 0.677 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0.0289 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.284 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -155:sc= 0.353 USER MOD Single : A 44 TYR OH : rot 72:sc= 1.29 USER MOD Single : A 63 HIS : no HD1:sc= -2.05 K(o=-2,f=-7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -162:sc= -1.06 (180deg=-2.44) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.625 6.870 5.011 1.00 0.00 N ATOM 204 CA SER A 15 10.374 6.737 4.275 1.00 0.00 C ATOM 205 C SER A 15 10.044 5.280 3.979 1.00 0.00 C ATOM 206 O SER A 15 10.924 4.484 3.656 1.00 0.00 O ATOM 207 CB SER A 15 10.473 7.516 2.972 1.00 0.00 C ATOM 208 OG SER A 15 10.698 8.880 3.252 1.00 0.00 O ATOM 0 HA SER A 15 9.572 7.138 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.285 7.121 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.555 7.399 2.396 1.00 0.00 H new ATOM 0 HG SER A 15 11.333 8.961 3.994 1.00 0.00 H new ATOM 214 N LEU A 16 8.757 4.944 4.091 1.00 0.00 N ATOM 215 CA LEU A 16 8.248 3.632 3.699 1.00 0.00 C ATOM 216 C LEU A 16 7.642 3.757 2.306 1.00 0.00 C ATOM 217 O LEU A 16 7.334 4.876 1.905 1.00 0.00 O ATOM 218 CB LEU A 16 7.181 3.173 4.699 1.00 0.00 C ATOM 219 CG LEU A 16 6.693 1.739 4.460 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.818 0.731 4.678 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.539 1.418 5.412 1.00 0.00 C ATOM 0 H LEU A 16 8.042 5.573 4.455 1.00 0.00 H new ATOM 0 HA LEU A 16 9.053 2.897 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.585 3.247 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.329 3.851 4.646 1.00 0.00 H new ATOM 0 HG LEU A 16 6.355 1.666 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.443 -0.277 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.634 0.941 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.182 0.808 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.196 0.398 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.880 1.515 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.717 2.112 5.235 1.00 0.00 H new ATOM 233 N LYS A 17 7.486 2.623 1.614 1.00 0.00 N ATOM 234 CA LYS A 17 6.846 2.475 0.309 1.00 0.00 C ATOM 235 C LYS A 17 6.059 1.167 0.312 1.00 0.00 C ATOM 236 O LYS A 17 6.548 0.132 0.758 1.00 0.00 O ATOM 237 CB LYS A 17 7.930 2.508 -0.776 1.00 0.00 C ATOM 238 CG LYS A 17 7.586 1.791 -2.085 1.00 0.00 C ATOM 239 CD LYS A 17 6.448 2.470 -2.839 1.00 0.00 C ATOM 240 CE LYS A 17 6.072 1.667 -4.085 1.00 0.00 C ATOM 241 NZ LYS A 17 7.207 1.556 -5.026 1.00 0.00 N ATOM 0 H LYS A 17 7.825 1.731 1.975 1.00 0.00 H new ATOM 0 HA LYS A 17 6.150 3.287 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.158 3.549 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.839 2.064 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.471 1.758 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.310 0.759 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.580 2.567 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.746 3.479 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.744 0.670 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.230 2.144 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.865 1.204 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.644 2.491 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.912 0.894 -4.643 1.00 0.00 H new ATOM 255 N VAL A 18 4.828 1.207 -0.194 1.00 0.00 N ATOM 256 CA VAL A 18 4.003 0.010 -0.345 1.00 0.00 C ATOM 257 C VAL A 18 3.520 -0.100 -1.774 1.00 0.00 C ATOM 258 O VAL A 18 3.200 0.931 -2.370 1.00 0.00 O ATOM 259 CB VAL A 18 2.805 0.095 0.588 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.688 -0.873 0.177 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.270 -0.173 2.009 1.00 0.00 C ATOM 0 H VAL A 18 4.376 2.065 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 18 4.597 -0.869 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 18 2.380 1.097 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.852 -0.779 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.352 -0.633 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.066 -1.895 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.419 -0.115 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.712 -1.168 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.014 0.571 2.295 1.00 0.00 H new ATOM 271 N ASP A 19 3.484 -1.351 -2.263 1.00 0.00 N ATOM 272 CA ASP A 19 3.294 -1.747 -3.653 1.00 0.00 C ATOM 273 C ASP A 19 2.492 -3.055 -3.746 1.00 0.00 C ATOM 274 O ASP A 19 2.350 -3.771 -2.755 1.00 0.00 O ATOM 275 CB ASP A 19 4.696 -1.877 -4.277 1.00 0.00 C ATOM 276 CG ASP A 19 4.892 -3.072 -5.210 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.381 -3.026 -6.346 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.562 -4.032 -4.766 1.00 0.00 O ATOM 0 H ASP A 19 3.595 -2.159 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 19 2.713 -1.004 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.913 -0.965 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.428 -1.942 -3.472 1.00 0.00 H new ATOM 283 N ASN A 20 1.973 -3.340 -4.949 1.00 0.00 N ATOM 284 CA ASN A 20 1.146 -4.486 -5.319 1.00 0.00 C ATOM 285 C ASN A 20 -0.342 -4.200 -5.074 1.00 0.00 C ATOM 286 O ASN A 20 -0.781 -4.146 -3.930 1.00 0.00 O ATOM 287 CB ASN A 20 1.579 -5.782 -4.640 1.00 0.00 C ATOM 288 CG ASN A 20 1.066 -6.979 -5.436 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.836 -6.884 -6.637 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.877 -8.124 -4.788 1.00 0.00 N ATOM 0 H ASN A 20 2.136 -2.725 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 20 1.295 -4.637 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.666 -5.820 -4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.191 -5.817 -3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.535 -8.944 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.074 -8.183 -3.789 1.00 0.00 H new ATOM 297 N LEU A 21 -1.111 -4.019 -6.156 1.00 0.00 N ATOM 298 CA LEU A 21 -2.535 -3.700 -6.091 1.00 0.00 C ATOM 299 C LEU A 21 -3.323 -4.557 -7.072 1.00 0.00 C ATOM 300 O LEU A 21 -2.746 -5.154 -7.978 1.00 0.00 O ATOM 301 CB LEU A 21 -2.777 -2.240 -6.485 1.00 0.00 C ATOM 302 CG LEU A 21 -1.875 -1.231 -5.786 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.215 0.140 -6.361 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.077 -1.224 -4.276 1.00 0.00 C ATOM 0 H LEU A 21 -0.754 -4.092 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.859 -3.886 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.642 -2.142 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.815 -1.988 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.832 -1.496 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.591 0.898 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.033 0.139 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.265 0.364 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.412 -0.489 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.111 -0.966 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.853 -2.212 -3.874 1.00 0.00 H new ATOM 316 N THR A 22 -4.643 -4.603 -6.883 1.00 0.00 N ATOM 317 CA THR A 22 -5.539 -5.370 -7.742 1.00 0.00 C ATOM 318 C THR A 22 -6.361 -4.447 -8.635 1.00 0.00 C ATOM 319 O THR A 22 -7.374 -4.880 -9.171 1.00 0.00 O ATOM 320 CB THR A 22 -6.427 -6.278 -6.886 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.167 -7.165 -7.697 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.378 -5.485 -5.991 1.00 0.00 C ATOM 0 H THR A 22 -5.119 -4.108 -6.129 1.00 0.00 H new ATOM 0 HA THR A 22 -4.946 -6.002 -8.402 1.00 0.00 H new ATOM 0 HB THR A 22 -5.759 -6.848 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.538 -6.677 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.985 -6.174 -5.405 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.801 -4.849 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.027 -4.865 -6.609 1.00 0.00 H new ATOM 329 N TYR A 23 -5.925 -3.189 -8.786 1.00 0.00 N ATOM 330 CA TYR A 23 -6.573 -2.151 -9.596 1.00 0.00 C ATOM 331 C TYR A 23 -7.714 -1.458 -8.850 1.00 0.00 C ATOM 332 O TYR A 23 -8.269 -0.470 -9.328 1.00 0.00 O ATOM 333 CB TYR A 23 -7.004 -2.704 -10.958 1.00 0.00 C ATOM 334 CG TYR A 23 -8.470 -2.536 -11.299 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.461 -3.234 -10.587 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.834 -1.667 -12.340 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.816 -3.068 -10.921 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.182 -1.495 -12.673 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.180 -2.198 -11.967 1.00 0.00 C ATOM 340 OH TYR A 23 -12.492 -2.034 -12.296 1.00 0.00 O ATOM 0 H TYR A 23 -5.077 -2.854 -8.328 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.833 -1.374 -9.786 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.411 -2.216 -11.732 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.761 -3.766 -10.992 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.181 -3.898 -9.783 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.072 -1.130 -12.885 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.577 -3.607 -10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.459 -0.823 -13.472 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.566 -1.398 -13.038 1.00 0.00 H new ATOM 350 N ARG A 24 -8.059 -1.985 -7.676 1.00 0.00 N ATOM 351 CA ARG A 24 -9.163 -1.475 -6.867 1.00 0.00 C ATOM 352 C ARG A 24 -8.770 -1.356 -5.392 1.00 0.00 C ATOM 353 O ARG A 24 -9.589 -0.986 -4.556 1.00 0.00 O ATOM 354 CB ARG A 24 -10.351 -2.420 -7.085 1.00 0.00 C ATOM 355 CG ARG A 24 -11.644 -1.999 -6.380 1.00 0.00 C ATOM 356 CD ARG A 24 -12.068 -0.602 -6.831 1.00 0.00 C ATOM 357 NE ARG A 24 -13.349 -0.219 -6.234 1.00 0.00 N ATOM 358 CZ ARG A 24 -13.975 0.934 -6.491 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.449 1.825 -7.328 1.00 0.00 N ATOM 360 NH2 ARG A 24 -15.142 1.196 -5.910 1.00 0.00 N ATOM 0 H ARG A 24 -7.578 -2.781 -7.258 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.434 -0.464 -7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.545 -2.496 -8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.073 -3.416 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.436 -2.715 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.497 -2.010 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.302 0.121 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.148 -0.576 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.790 -0.870 -5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.557 1.632 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.938 2.700 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.557 0.518 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.622 2.075 -6.104 1.00 0.00 H new ATOM 374 N THR A 25 -7.514 -1.667 -5.065 1.00 0.00 N ATOM 375 CA THR A 25 -7.027 -1.567 -3.693 1.00 0.00 C ATOM 376 C THR A 25 -7.235 -0.155 -3.146 1.00 0.00 C ATOM 377 O THR A 25 -7.644 0.001 -2.000 1.00 0.00 O ATOM 378 CB THR A 25 -5.545 -1.928 -3.667 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.363 -3.249 -4.131 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.995 -1.801 -2.254 1.00 0.00 C ATOM 0 H THR A 25 -6.816 -1.991 -5.735 1.00 0.00 H new ATOM 0 HA THR A 25 -7.587 -2.257 -3.062 1.00 0.00 H new ATOM 0 HB THR A 25 -5.007 -1.240 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.577 -3.642 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.937 -2.062 -2.251 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.117 -0.775 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.537 -2.475 -1.591 1.00 0.00 H new ATOM 387 N SER A 26 -6.951 0.854 -3.977 1.00 0.00 N ATOM 388 CA SER A 26 -7.115 2.275 -3.686 1.00 0.00 C ATOM 389 C SER A 26 -6.343 2.802 -2.464 1.00 0.00 C ATOM 390 O SER A 26 -6.050 2.064 -1.525 1.00 0.00 O ATOM 391 CB SER A 26 -8.609 2.584 -3.578 1.00 0.00 C ATOM 392 OG SER A 26 -9.222 2.388 -4.836 1.00 0.00 O ATOM 0 H SER A 26 -6.583 0.690 -4.914 1.00 0.00 H new ATOM 0 HA SER A 26 -6.661 2.812 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.072 1.939 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.756 3.612 -3.246 1.00 0.00 H new ATOM 0 HG SER A 26 -10.180 2.584 -4.767 1.00 0.00 H new ATOM 398 N PRO A 27 -6.005 4.101 -2.472 1.00 0.00 N ATOM 399 CA PRO A 27 -5.259 4.767 -1.406 1.00 0.00 C ATOM 400 C PRO A 27 -6.017 4.806 -0.083 1.00 0.00 C ATOM 401 O PRO A 27 -5.387 4.843 0.969 1.00 0.00 O ATOM 402 CB PRO A 27 -4.990 6.183 -1.920 1.00 0.00 C ATOM 403 CG PRO A 27 -6.022 6.410 -3.021 1.00 0.00 C ATOM 404 CD PRO A 27 -6.315 5.013 -3.557 1.00 0.00 C ATOM 0 HA PRO A 27 -4.341 4.221 -1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.096 6.918 -1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.975 6.276 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.923 6.883 -2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.633 7.062 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.358 4.921 -3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.708 4.796 -4.436 1.00 0.00 H new ATOM 412 N ASP A 28 -7.350 4.792 -0.114 1.00 0.00 N ATOM 413 CA ASP A 28 -8.130 4.879 1.110 1.00 0.00 C ATOM 414 C ASP A 28 -8.042 3.600 1.933 1.00 0.00 C ATOM 415 O ASP A 28 -7.896 3.658 3.152 1.00 0.00 O ATOM 416 CB ASP A 28 -9.590 5.116 0.748 1.00 0.00 C ATOM 417 CG ASP A 28 -10.434 5.371 1.996 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.547 6.553 2.385 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.955 4.378 2.553 1.00 0.00 O ATOM 0 H ASP A 28 -7.904 4.722 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.728 5.699 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.666 5.969 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.980 4.250 0.213 1.00 0.00 H new ATOM 424 N THR A 29 -8.126 2.442 1.270 1.00 0.00 N ATOM 425 CA THR A 29 -8.063 1.176 1.974 1.00 0.00 C ATOM 426 C THR A 29 -6.675 1.046 2.572 1.00 0.00 C ATOM 427 O THR A 29 -6.531 0.628 3.717 1.00 0.00 O ATOM 428 CB THR A 29 -8.308 0.016 1.014 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.483 0.255 0.272 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.467 -1.292 1.784 1.00 0.00 C ATOM 0 H THR A 29 -8.236 2.364 0.259 1.00 0.00 H new ATOM 0 HA THR A 29 -8.828 1.147 2.750 1.00 0.00 H new ATOM 0 HB THR A 29 -7.452 -0.064 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.272 0.252 -0.685 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.641 -2.108 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.560 -1.491 2.354 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.314 -1.212 2.465 1.00 0.00 H new ATOM 437 N LEU A 30 -5.657 1.416 1.793 1.00 0.00 N ATOM 438 CA LEU A 30 -4.282 1.362 2.248 1.00 0.00 C ATOM 439 C LEU A 30 -4.081 2.311 3.423 1.00 0.00 C ATOM 440 O LEU A 30 -3.303 2.017 4.322 1.00 0.00 O ATOM 441 CB LEU A 30 -3.364 1.775 1.099 1.00 0.00 C ATOM 442 CG LEU A 30 -3.422 0.790 -0.072 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.851 1.473 -1.310 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.607 -0.458 0.254 1.00 0.00 C ATOM 0 H LEU A 30 -5.769 1.758 0.838 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.047 0.347 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.646 2.768 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.339 1.844 1.463 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.455 0.492 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.885 0.784 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.441 2.360 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.818 1.764 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.654 -1.153 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.569 -0.178 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.014 -0.936 1.145 1.00 0.00 H new ATOM 456 N ARG A 31 -4.775 3.453 3.426 1.00 0.00 N ATOM 457 CA ARG A 31 -4.587 4.443 4.472 1.00 0.00 C ATOM 458 C ARG A 31 -4.885 3.830 5.834 1.00 0.00 C ATOM 459 O ARG A 31 -4.044 3.857 6.724 1.00 0.00 O ATOM 460 CB ARG A 31 -5.506 5.644 4.203 1.00 0.00 C ATOM 461 CG ARG A 31 -4.956 6.958 4.763 1.00 0.00 C ATOM 462 CD ARG A 31 -4.479 6.844 6.206 1.00 0.00 C ATOM 463 NE ARG A 31 -4.078 8.156 6.736 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.832 8.928 7.521 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.056 8.547 7.886 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.364 10.093 7.954 1.00 0.00 N ATOM 0 H ARG A 31 -5.465 3.707 2.719 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.551 4.782 4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.653 5.748 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.485 5.450 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.127 7.293 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.730 7.723 4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.274 6.427 6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.637 6.153 6.261 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.152 8.502 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.429 7.654 7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.620 9.149 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.428 10.398 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.940 10.683 8.554 1.00 0.00 H new ATOM 480 N ARG A 32 -6.083 3.271 5.986 1.00 0.00 N ATOM 481 CA ARG A 32 -6.521 2.696 7.258 1.00 0.00 C ATOM 482 C ARG A 32 -5.991 1.281 7.479 1.00 0.00 C ATOM 483 O ARG A 32 -6.210 0.703 8.541 1.00 0.00 O ATOM 484 CB ARG A 32 -8.053 2.740 7.292 1.00 0.00 C ATOM 485 CG ARG A 32 -8.654 1.844 6.204 1.00 0.00 C ATOM 486 CD ARG A 32 -9.870 2.513 5.564 1.00 0.00 C ATOM 487 NE ARG A 32 -10.949 2.728 6.534 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.052 3.436 6.284 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.244 4.007 5.099 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.980 3.574 7.226 1.00 0.00 N ATOM 0 H ARG A 32 -6.774 3.203 5.238 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.109 3.285 8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.408 2.417 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.394 3.766 7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.903 1.636 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.945 0.886 6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.573 3.469 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.236 1.894 4.745 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.850 2.309 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.543 3.907 4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.093 4.545 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.849 3.139 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.823 4.115 7.036 1.00 0.00 H new ATOM 504 N VAL A 33 -5.300 0.724 6.483 1.00 0.00 N ATOM 505 CA VAL A 33 -4.656 -0.585 6.584 1.00 0.00 C ATOM 506 C VAL A 33 -3.207 -0.435 7.040 1.00 0.00 C ATOM 507 O VAL A 33 -2.582 -1.408 7.450 1.00 0.00 O ATOM 508 CB VAL A 33 -4.724 -1.265 5.218 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.681 -2.365 5.038 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.104 -1.894 5.067 1.00 0.00 C ATOM 0 H VAL A 33 -5.171 1.173 5.576 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.173 -1.196 7.324 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.527 -0.501 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.785 -2.806 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.683 -1.941 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.830 -3.135 5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.175 -2.386 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.258 -2.628 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.867 -1.119 5.137 1.00 0.00 H new ATOM 520 N PHE A 34 -2.668 0.784 6.977 1.00 0.00 N ATOM 521 CA PHE A 34 -1.276 1.034 7.306 1.00 0.00 C ATOM 522 C PHE A 34 -1.132 2.073 8.398 1.00 0.00 C ATOM 523 O PHE A 34 -0.267 1.938 9.261 1.00 0.00 O ATOM 524 CB PHE A 34 -0.566 1.504 6.040 1.00 0.00 C ATOM 525 CG PHE A 34 -0.052 0.374 5.195 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.101 -0.312 5.590 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.719 0.014 4.021 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.591 -1.366 4.811 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.229 -1.036 3.236 1.00 0.00 C ATOM 530 CZ PHE A 34 0.922 -1.731 3.636 1.00 0.00 C ATOM 0 H PHE A 34 -3.186 1.617 6.697 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.830 0.113 7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.254 2.108 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.267 2.150 6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.614 -0.028 6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.610 0.545 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.482 -1.896 5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.737 -1.311 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.293 -2.549 3.037 1.00 0.00 H new ATOM 540 N GLU A 35 -1.960 3.116 8.386 1.00 0.00 N ATOM 541 CA GLU A 35 -1.855 4.129 9.417 1.00 0.00 C ATOM 542 C GLU A 35 -2.257 3.547 10.766 1.00 0.00 C ATOM 543 O GLU A 35 -1.954 4.110 11.812 1.00 0.00 O ATOM 544 CB GLU A 35 -2.710 5.349 9.065 1.00 0.00 C ATOM 545 CG GLU A 35 -4.184 5.200 9.440 1.00 0.00 C ATOM 546 CD GLU A 35 -4.462 5.618 10.883 1.00 0.00 C ATOM 547 OE1 GLU A 35 -4.015 6.728 11.252 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.116 4.832 11.605 1.00 0.00 O ATOM 0 H GLU A 35 -2.690 3.274 7.691 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.818 4.458 9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.303 6.224 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.635 5.537 7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.791 5.805 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.489 4.163 9.300 1.00 0.00 H new ATOM 555 N LYS A 36 -2.946 2.398 10.719 1.00 0.00 N ATOM 556 CA LYS A 36 -3.458 1.736 11.902 1.00 0.00 C ATOM 557 C LYS A 36 -2.331 1.353 12.843 1.00 0.00 C ATOM 558 O LYS A 36 -2.519 1.352 14.057 1.00 0.00 O ATOM 559 CB LYS A 36 -4.238 0.490 11.475 1.00 0.00 C ATOM 560 CG LYS A 36 -3.335 -0.559 10.815 1.00 0.00 C ATOM 561 CD LYS A 36 -4.139 -1.670 10.135 1.00 0.00 C ATOM 562 CE LYS A 36 -5.213 -2.237 11.056 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.847 -3.431 10.464 1.00 0.00 N ATOM 0 H LYS A 36 -3.159 1.909 9.850 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.117 2.421 12.436 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.725 0.052 12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.027 0.777 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.695 -0.073 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.679 -0.996 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.605 -1.280 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.465 -2.470 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.771 -2.496 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.970 -1.477 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.574 -3.796 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.288 -3.176 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.126 -4.164 10.305 1.00 0.00 H new ATOM 577 N TYR A 37 -1.162 1.026 12.285 1.00 0.00 N ATOM 578 CA TYR A 37 -0.022 0.654 13.094 1.00 0.00 C ATOM 579 C TYR A 37 0.621 1.872 13.748 1.00 0.00 C ATOM 580 O TYR A 37 1.318 1.734 14.751 1.00 0.00 O ATOM 581 CB TYR A 37 1.006 -0.056 12.225 1.00 0.00 C ATOM 582 CG TYR A 37 0.499 -1.356 11.653 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.653 -2.543 12.383 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.131 -1.370 10.400 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.166 -3.752 11.867 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.620 -2.573 9.881 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.485 -3.770 10.616 1.00 0.00 C ATOM 588 OH TYR A 37 -0.974 -4.942 10.117 1.00 0.00 O ATOM 0 H TYR A 37 -0.991 1.014 11.280 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.370 -0.011 13.885 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.300 0.603 11.408 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.901 -0.250 12.816 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.147 -2.526 13.343 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.238 -0.454 9.838 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.289 -4.668 12.426 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.102 -2.586 8.915 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.017 -4.889 9.139 1.00 0.00 H new ATOM 598 N GLY A 38 0.394 3.063 13.186 1.00 0.00 N ATOM 599 CA GLY A 38 0.902 4.295 13.771 1.00 0.00 C ATOM 600 C GLY A 38 0.391 5.530 13.045 1.00 0.00 C ATOM 601 O GLY A 38 -0.284 6.355 13.659 1.00 0.00 O ATOM 0 H GLY A 38 -0.139 3.194 12.326 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.609 4.345 14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.992 4.285 13.745 1.00 0.00 H new ATOM 605 N ARG A 39 0.702 5.659 11.752 1.00 0.00 N ATOM 606 CA ARG A 39 0.227 6.763 10.925 1.00 0.00 C ATOM 607 C ARG A 39 0.657 6.558 9.480 1.00 0.00 C ATOM 608 O ARG A 39 1.476 5.691 9.185 1.00 0.00 O ATOM 609 CB ARG A 39 0.820 8.081 11.425 1.00 0.00 C ATOM 610 CG ARG A 39 -0.168 9.245 11.377 1.00 0.00 C ATOM 611 CD ARG A 39 -0.953 9.353 12.687 1.00 0.00 C ATOM 612 NE ARG A 39 -2.090 8.425 12.761 1.00 0.00 N ATOM 613 CZ ARG A 39 -2.738 8.144 13.895 1.00 0.00 C ATOM 614 NH1 ARG A 39 -2.384 8.716 15.044 1.00 0.00 N ATOM 615 NH2 ARG A 39 -3.748 7.284 13.883 1.00 0.00 N ATOM 0 H ARG A 39 1.293 4.996 11.251 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.861 6.795 10.986 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.167 7.950 12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.694 8.330 10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.369 10.175 11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.859 9.106 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.280 9.160 13.523 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.318 10.374 12.801 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.401 7.972 11.902 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.609 9.379 15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.888 8.492 15.902 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.028 6.839 13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.244 7.068 14.748 1.00 0.00 H new ATOM 629 N VAL A 40 0.098 7.367 8.589 1.00 0.00 N ATOM 630 CA VAL A 40 0.455 7.382 7.181 1.00 0.00 C ATOM 631 C VAL A 40 0.702 8.824 6.763 1.00 0.00 C ATOM 632 O VAL A 40 -0.237 9.585 6.531 1.00 0.00 O ATOM 633 CB VAL A 40 -0.654 6.727 6.360 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.526 7.015 4.876 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.586 5.212 6.474 1.00 0.00 C ATOM 0 H VAL A 40 -0.628 8.041 8.831 1.00 0.00 H new ATOM 0 HA VAL A 40 1.366 6.810 7.004 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.583 7.137 6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.339 6.526 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.576 8.091 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.429 6.635 4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.385 4.766 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.378 4.862 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.702 4.920 7.518 1.00 0.00 H new ATOM 645 N GLY A 41 1.980 9.181 6.673 1.00 0.00 N ATOM 646 CA GLY A 41 2.418 10.494 6.224 1.00 0.00 C ATOM 647 C GLY A 41 1.989 10.789 4.786 1.00 0.00 C ATOM 648 O GLY A 41 1.770 11.948 4.437 1.00 0.00 O ATOM 0 H GLY A 41 2.749 8.556 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.009 11.257 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.504 10.557 6.297 1.00 0.00 H new ATOM 652 N ASP A 42 1.866 9.748 3.957 1.00 0.00 N ATOM 653 CA ASP A 42 1.487 9.878 2.561 1.00 0.00 C ATOM 654 C ASP A 42 0.878 8.568 2.079 1.00 0.00 C ATOM 655 O ASP A 42 1.324 7.489 2.467 1.00 0.00 O ATOM 656 CB ASP A 42 2.737 10.164 1.723 1.00 0.00 C ATOM 657 CG ASP A 42 3.156 11.628 1.782 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.348 12.478 1.347 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.288 11.883 2.253 1.00 0.00 O ATOM 0 H ASP A 42 2.030 8.784 4.247 1.00 0.00 H new ATOM 0 HA ASP A 42 0.767 10.690 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.558 9.540 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.547 9.885 0.686 1.00 0.00 H new ATOM 664 N VAL A 43 -0.142 8.652 1.227 1.00 0.00 N ATOM 665 CA VAL A 43 -0.751 7.467 0.636 1.00 0.00 C ATOM 666 C VAL A 43 -1.267 7.861 -0.744 1.00 0.00 C ATOM 667 O VAL A 43 -2.170 8.688 -0.871 1.00 0.00 O ATOM 668 CB VAL A 43 -1.830 6.905 1.581 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.258 7.314 1.242 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.758 5.388 1.686 1.00 0.00 C ATOM 0 H VAL A 43 -0.564 9.532 0.931 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.037 6.654 0.505 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.592 7.360 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.945 6.870 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.344 8.400 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.508 6.965 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.536 5.033 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.905 4.948 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.781 5.096 2.072 1.00 0.00 H new ATOM 680 N TYR A 44 -0.687 7.274 -1.790 1.00 0.00 N ATOM 681 CA TYR A 44 -1.153 7.533 -3.142 1.00 0.00 C ATOM 682 C TYR A 44 -0.835 6.363 -4.061 1.00 0.00 C ATOM 683 O TYR A 44 -0.059 5.475 -3.705 1.00 0.00 O ATOM 684 CB TYR A 44 -0.544 8.829 -3.682 1.00 0.00 C ATOM 685 CG TYR A 44 0.822 8.683 -4.319 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.984 8.809 -3.548 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.916 8.426 -5.693 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.246 8.702 -4.156 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.168 8.305 -6.305 1.00 0.00 C ATOM 690 CZ TYR A 44 3.343 8.459 -5.541 1.00 0.00 C ATOM 691 OH TYR A 44 4.561 8.363 -6.143 1.00 0.00 O ATOM 0 H TYR A 44 0.097 6.624 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.236 7.650 -3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.227 9.253 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.471 9.546 -2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.910 8.988 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.017 8.321 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.142 8.806 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.235 8.094 -7.362 1.00 0.00 H new ATOM 0 HH TYR A 44 4.987 7.518 -5.887 1.00 0.00 H new ATOM 701 N ILE A 45 -1.442 6.364 -5.250 1.00 0.00 N ATOM 702 CA ILE A 45 -1.244 5.321 -6.245 1.00 0.00 C ATOM 703 C ILE A 45 -0.749 5.976 -7.539 1.00 0.00 C ATOM 704 O ILE A 45 -1.475 6.767 -8.139 1.00 0.00 O ATOM 705 CB ILE A 45 -2.558 4.552 -6.480 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.895 3.543 -5.382 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.431 3.739 -7.771 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.114 4.166 -4.005 1.00 0.00 C ATOM 0 H ILE A 45 -2.088 7.096 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.502 4.603 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.341 5.309 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.794 2.998 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.088 2.814 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.356 3.190 -7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.243 4.412 -8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.604 3.035 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.348 3.383 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.209 4.687 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.942 4.874 -4.053 1.00 0.00 H new ATOM 720 N PRO A 46 0.478 5.653 -7.974 1.00 0.00 N ATOM 721 CA PRO A 46 1.059 6.081 -9.239 1.00 0.00 C ATOM 722 C PRO A 46 0.394 5.365 -10.419 1.00 0.00 C ATOM 723 O PRO A 46 1.043 4.614 -11.144 1.00 0.00 O ATOM 724 CB PRO A 46 2.552 5.771 -9.130 1.00 0.00 C ATOM 725 CG PRO A 46 2.585 4.580 -8.177 1.00 0.00 C ATOM 726 CD PRO A 46 1.420 4.838 -7.233 1.00 0.00 C ATOM 0 HA PRO A 46 0.901 7.143 -9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.985 5.525 -10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.113 6.619 -8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.466 3.637 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.531 4.524 -7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.961 3.902 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.755 5.351 -6.331 1.00 0.00 H new ATOM 900 N GLY A 56 -0.423 -1.214 -11.119 1.00 0.00 N ATOM 901 CA GLY A 56 -0.410 -2.441 -10.336 1.00 0.00 C ATOM 902 C GLY A 56 0.303 -2.284 -8.990 1.00 0.00 C ATOM 903 O GLY A 56 0.580 -3.285 -8.331 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.436 -2.765 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.080 -3.227 -10.911 1.00 0.00 H new ATOM 907 N PHE A 57 0.612 -1.051 -8.576 1.00 0.00 N ATOM 908 CA PHE A 57 1.308 -0.793 -7.323 1.00 0.00 C ATOM 909 C PHE A 57 0.898 0.563 -6.766 1.00 0.00 C ATOM 910 O PHE A 57 0.458 1.447 -7.501 1.00 0.00 O ATOM 911 CB PHE A 57 2.821 -0.845 -7.549 1.00 0.00 C ATOM 912 CG PHE A 57 3.431 0.358 -8.231 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.186 0.623 -9.584 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.262 1.215 -7.492 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.768 1.741 -10.196 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.853 2.327 -8.106 1.00 0.00 C ATOM 917 CZ PHE A 57 4.603 2.592 -9.461 1.00 0.00 C ATOM 0 H PHE A 57 0.385 -0.208 -9.104 1.00 0.00 H new ATOM 0 HA PHE A 57 1.036 -1.560 -6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.308 -0.976 -6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.049 -1.730 -8.144 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.548 -0.035 -10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.446 1.016 -6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.572 1.947 -11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.500 2.979 -7.538 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.054 3.451 -9.936 1.00 0.00 H new ATOM 927 N ALA A 58 1.052 0.713 -5.450 1.00 0.00 N ATOM 928 CA ALA A 58 0.736 1.936 -4.748 1.00 0.00 C ATOM 929 C ALA A 58 2.032 2.594 -4.309 1.00 0.00 C ATOM 930 O ALA A 58 3.108 2.268 -4.807 1.00 0.00 O ATOM 931 CB ALA A 58 -0.162 1.629 -3.546 1.00 0.00 C ATOM 0 H ALA A 58 1.405 -0.027 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 58 0.195 2.619 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.397 2.555 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.085 1.164 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.356 0.949 -2.869 1.00 0.00 H new ATOM 937 N PHE A 59 1.919 3.528 -3.372 1.00 0.00 N ATOM 938 CA PHE A 59 3.045 4.236 -2.811 1.00 0.00 C ATOM 939 C PHE A 59 2.599 4.803 -1.492 1.00 0.00 C ATOM 940 O PHE A 59 2.477 6.021 -1.328 1.00 0.00 O ATOM 941 CB PHE A 59 3.496 5.301 -3.811 1.00 0.00 C ATOM 942 CG PHE A 59 4.986 5.557 -3.868 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.740 5.749 -2.703 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.611 5.599 -5.123 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.118 5.998 -2.799 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.985 5.837 -5.219 1.00 0.00 C ATOM 947 CZ PHE A 59 7.739 6.046 -4.055 1.00 0.00 C ATOM 0 H PHE A 59 1.022 3.814 -2.979 1.00 0.00 H new ATOM 0 HA PHE A 59 3.906 3.593 -2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.158 5.007 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.994 6.237 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.263 5.706 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.028 5.447 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.701 6.153 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.465 5.860 -6.186 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.798 6.244 -4.126 1.00 0.00 H new ATOM 957 N VAL A 60 2.341 3.915 -0.526 1.00 0.00 N ATOM 958 CA VAL A 60 2.136 4.491 0.792 1.00 0.00 C ATOM 959 C VAL A 60 3.512 4.882 1.282 1.00 0.00 C ATOM 960 O VAL A 60 4.451 4.108 1.116 1.00 0.00 O ATOM 961 CB VAL A 60 1.409 3.609 1.809 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.331 2.715 1.200 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.329 2.877 2.786 1.00 0.00 C ATOM 0 H VAL A 60 2.275 2.901 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 60 1.455 5.336 0.695 1.00 0.00 H new ATOM 0 HB VAL A 60 0.866 4.322 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.137 2.122 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.424 3.334 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.783 2.050 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.729 2.276 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.006 2.228 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.908 3.604 3.355 1.00 0.00 H new ATOM 973 N ARG A 61 3.642 6.065 1.882 1.00 0.00 N ATOM 974 CA ARG A 61 4.906 6.519 2.416 1.00 0.00 C ATOM 975 C ARG A 61 4.739 6.998 3.827 1.00 0.00 C ATOM 976 O ARG A 61 3.821 7.738 4.172 1.00 0.00 O ATOM 977 CB ARG A 61 5.535 7.549 1.478 1.00 0.00 C ATOM 978 CG ARG A 61 6.461 8.512 2.228 1.00 0.00 C ATOM 979 CD ARG A 61 7.124 9.456 1.229 1.00 0.00 C ATOM 980 NE ARG A 61 6.165 10.429 0.690 1.00 0.00 N ATOM 981 CZ ARG A 61 5.978 10.680 -0.611 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.666 10.027 -1.543 1.00 0.00 N ATOM 983 NH2 ARG A 61 5.091 11.598 -0.982 1.00 0.00 N ATOM 0 H ARG A 61 2.874 6.725 2.006 1.00 0.00 H new ATOM 0 HA ARG A 61 5.609 5.688 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.099 7.035 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.748 8.115 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.893 9.082 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.219 7.953 2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.945 9.983 1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.556 8.878 0.412 1.00 0.00 H new ATOM 0 HE ARG A 61 5.599 10.953 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.350 9.321 -1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.510 10.232 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.558 12.106 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.944 11.794 -1.972 1.00 0.00 H new ATOM 997 N PHE A 62 5.682 6.533 4.639 1.00 0.00 N ATOM 998 CA PHE A 62 5.647 6.839 6.062 1.00 0.00 C ATOM 999 C PHE A 62 6.695 7.883 6.391 1.00 0.00 C ATOM 1000 O PHE A 62 7.821 7.804 5.902 1.00 0.00 O ATOM 1001 CB PHE A 62 5.869 5.582 6.888 1.00 0.00 C ATOM 1002 CG PHE A 62 4.618 4.749 7.075 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.681 4.590 6.040 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.392 4.145 8.317 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.512 3.846 6.247 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.240 3.382 8.527 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.306 3.236 7.497 1.00 0.00 C ATOM 0 H PHE A 62 6.467 5.953 4.342 1.00 0.00 H new ATOM 0 HA PHE A 62 4.663 7.237 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.633 4.972 6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.257 5.865 7.867 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.863 5.045 5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.109 4.269 9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.781 3.743 5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.072 2.907 9.482 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.416 2.648 7.663 1.00 0.00 H new ATOM 1017 N HIS A 63 6.287 8.844 7.221 1.00 0.00 N ATOM 1018 CA HIS A 63 7.097 9.959 7.688 1.00 0.00 C ATOM 1019 C HIS A 63 7.987 9.550 8.863 1.00 0.00 C ATOM 1020 O HIS A 63 8.812 10.346 9.313 1.00 0.00 O ATOM 1021 CB HIS A 63 6.138 11.071 8.133 1.00 0.00 C ATOM 1022 CG HIS A 63 5.117 10.589 9.136 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.329 9.581 10.074 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.842 11.058 9.274 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.177 9.461 10.750 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.268 10.338 10.293 1.00 0.00 N ATOM 0 H HIS A 63 5.340 8.863 7.600 1.00 0.00 H new ATOM 0 HA HIS A 63 7.751 10.296 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.712 11.888 8.569 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.623 11.473 7.260 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.376 11.842 8.695 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.004 8.757 11.551 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.316 10.450 10.642 1.00 0.00 H new ATOM 1034 N ASP A 64 7.819 8.321 9.362 1.00 0.00 N ATOM 1035 CA ASP A 64 8.543 7.835 10.526 1.00 0.00 C ATOM 1036 C ASP A 64 8.775 6.335 10.381 1.00 0.00 C ATOM 1037 O ASP A 64 7.830 5.545 10.366 1.00 0.00 O ATOM 1038 CB ASP A 64 7.742 8.148 11.792 1.00 0.00 C ATOM 1039 CG ASP A 64 8.529 7.838 13.064 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.501 7.057 12.973 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.153 8.391 14.121 1.00 0.00 O ATOM 0 H ASP A 64 7.174 7.639 8.964 1.00 0.00 H new ATOM 0 HA ASP A 64 9.511 8.331 10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.459 9.200 11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.818 7.569 11.788 1.00 0.00 H new ATOM 1046 N LYS A 65 10.048 5.947 10.276 1.00 0.00 N ATOM 1047 CA LYS A 65 10.461 4.565 10.117 1.00 0.00 C ATOM 1048 C LYS A 65 9.948 3.662 11.234 1.00 0.00 C ATOM 1049 O LYS A 65 9.803 2.468 11.013 1.00 0.00 O ATOM 1050 CB LYS A 65 11.985 4.514 10.025 1.00 0.00 C ATOM 1051 CG LYS A 65 12.649 4.893 11.351 1.00 0.00 C ATOM 1052 CD LYS A 65 14.094 5.357 11.136 1.00 0.00 C ATOM 1053 CE LYS A 65 14.925 4.304 10.410 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.280 4.816 10.142 1.00 0.00 N ATOM 0 H LYS A 65 10.829 6.602 10.300 1.00 0.00 H new ATOM 0 HA LYS A 65 10.018 4.181 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.298 3.511 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.324 5.192 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.078 5.686 11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.636 4.036 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.097 6.283 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.551 5.580 12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.984 3.398 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.440 4.031 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.834 4.088 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.218 5.668 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.745 5.054 11.041 1.00 0.00 H new ATOM 1068 N ARG A 66 9.667 4.200 12.423 1.00 0.00 N ATOM 1069 CA ARG A 66 9.200 3.385 13.540 1.00 0.00 C ATOM 1070 C ARG A 66 7.804 2.837 13.259 1.00 0.00 C ATOM 1071 O ARG A 66 7.556 1.642 13.424 1.00 0.00 O ATOM 1072 CB ARG A 66 9.185 4.232 14.816 1.00 0.00 C ATOM 1073 CG ARG A 66 10.591 4.710 15.198 1.00 0.00 C ATOM 1074 CD ARG A 66 11.514 3.542 15.553 1.00 0.00 C ATOM 1075 NE ARG A 66 11.033 2.827 16.744 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.089 1.503 16.910 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.582 0.702 15.968 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.644 0.964 18.042 1.00 0.00 N ATOM 0 H ARG A 66 9.755 5.194 12.634 1.00 0.00 H new ATOM 0 HA ARG A 66 9.878 2.542 13.671 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.534 5.095 14.672 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.764 3.648 15.635 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.021 5.273 14.370 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.525 5.391 16.046 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.573 2.853 14.711 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.523 3.914 15.732 1.00 0.00 H new ATOM 0 HE ARG A 66 10.627 3.382 17.498 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.929 1.096 15.094 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.613 -0.306 16.121 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.263 1.561 18.776 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.684 -0.046 18.176 1.00 0.00 H new ATOM 1092 N ASP A 67 6.891 3.714 12.826 1.00 0.00 N ATOM 1093 CA ASP A 67 5.539 3.287 12.492 1.00 0.00 C ATOM 1094 C ASP A 67 5.576 2.399 11.253 1.00 0.00 C ATOM 1095 O ASP A 67 4.710 1.549 11.061 1.00 0.00 O ATOM 1096 CB ASP A 67 4.658 4.513 12.224 1.00 0.00 C ATOM 1097 CG ASP A 67 4.521 5.406 13.456 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.434 4.851 14.574 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.503 6.643 13.270 1.00 0.00 O ATOM 0 H ASP A 67 7.066 4.711 12.702 1.00 0.00 H new ATOM 0 HA ASP A 67 5.122 2.724 13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.083 5.091 11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.669 4.185 11.904 1.00 0.00 H new ATOM 1104 N ALA A 68 6.594 2.599 10.408 1.00 0.00 N ATOM 1105 CA ALA A 68 6.755 1.831 9.191 1.00 0.00 C ATOM 1106 C ALA A 68 7.349 0.461 9.488 1.00 0.00 C ATOM 1107 O ALA A 68 7.045 -0.499 8.788 1.00 0.00 O ATOM 1108 CB ALA A 68 7.683 2.606 8.260 1.00 0.00 C ATOM 0 H ALA A 68 7.322 3.298 10.557 1.00 0.00 H new ATOM 0 HA ALA A 68 5.782 1.679 8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.820 2.047 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.244 3.578 8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.649 2.748 8.745 1.00 0.00 H new ATOM 1114 N GLU A 69 8.197 0.358 10.519 1.00 0.00 N ATOM 1115 CA GLU A 69 8.806 -0.901 10.903 1.00 0.00 C ATOM 1116 C GLU A 69 7.732 -1.907 11.285 1.00 0.00 C ATOM 1117 O GLU A 69 7.737 -3.031 10.790 1.00 0.00 O ATOM 1118 CB GLU A 69 9.717 -0.694 12.113 1.00 0.00 C ATOM 1119 CG GLU A 69 11.136 -0.336 11.675 1.00 0.00 C ATOM 1120 CD GLU A 69 12.057 -0.176 12.884 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.527 -1.217 13.393 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.281 0.986 13.292 1.00 0.00 O ATOM 0 H GLU A 69 8.473 1.148 11.102 1.00 0.00 H new ATOM 0 HA GLU A 69 9.383 -1.273 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.316 0.100 12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.737 -1.601 12.717 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.525 -1.113 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.120 0.590 11.100 1.00 0.00 H new ATOM 1129 N ASP A 70 6.810 -1.510 12.165 1.00 0.00 N ATOM 1130 CA ASP A 70 5.814 -2.460 12.632 1.00 0.00 C ATOM 1131 C ASP A 70 4.812 -2.789 11.526 1.00 0.00 C ATOM 1132 O ASP A 70 4.454 -3.951 11.331 1.00 0.00 O ATOM 1133 CB ASP A 70 5.101 -1.901 13.858 1.00 0.00 C ATOM 1134 CG ASP A 70 6.069 -1.540 14.982 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.870 -2.423 15.364 1.00 0.00 O ATOM 1136 OD2 ASP A 70 6.006 -0.383 15.454 1.00 0.00 O ATOM 0 H ASP A 70 6.736 -0.570 12.554 1.00 0.00 H new ATOM 0 HA ASP A 70 6.318 -3.386 12.909 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.534 -1.015 13.572 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.383 -2.635 14.223 1.00 0.00 H new ATOM 1141 N ALA A 71 4.352 -1.773 10.790 1.00 0.00 N ATOM 1142 CA ALA A 71 3.392 -1.976 9.720 1.00 0.00 C ATOM 1143 C ALA A 71 3.969 -2.904 8.654 1.00 0.00 C ATOM 1144 O ALA A 71 3.292 -3.833 8.226 1.00 0.00 O ATOM 1145 CB ALA A 71 3.008 -0.627 9.117 1.00 0.00 C ATOM 0 H ALA A 71 4.635 -0.802 10.922 1.00 0.00 H new ATOM 0 HA ALA A 71 2.497 -2.448 10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.287 -0.779 8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.564 0.003 9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.898 -0.140 8.718 1.00 0.00 H new ATOM 1151 N MET A 72 5.212 -2.671 8.227 1.00 0.00 N ATOM 1152 CA MET A 72 5.858 -3.494 7.219 1.00 0.00 C ATOM 1153 C MET A 72 6.065 -4.919 7.729 1.00 0.00 C ATOM 1154 O MET A 72 5.860 -5.871 6.983 1.00 0.00 O ATOM 1155 CB MET A 72 7.202 -2.846 6.897 1.00 0.00 C ATOM 1156 CG MET A 72 8.117 -3.755 6.077 1.00 0.00 C ATOM 1157 SD MET A 72 9.513 -2.883 5.323 1.00 0.00 S ATOM 1158 CE MET A 72 10.007 -1.824 6.708 1.00 0.00 C ATOM 0 H MET A 72 5.792 -1.907 8.573 1.00 0.00 H new ATOM 0 HA MET A 72 5.234 -3.558 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.031 -1.920 6.348 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.703 -2.578 7.827 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.499 -4.548 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.532 -4.234 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.040 -1.504 6.571 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.358 -0.949 6.747 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.921 -2.381 7.641 1.00 0.00 H new ATOM 1168 N ASP A 73 6.465 -5.058 8.998 1.00 0.00 N ATOM 1169 CA ASP A 73 6.660 -6.368 9.605 1.00 0.00 C ATOM 1170 C ASP A 73 5.320 -7.085 9.795 1.00 0.00 C ATOM 1171 O ASP A 73 5.286 -8.260 10.157 1.00 0.00 O ATOM 1172 CB ASP A 73 7.376 -6.178 10.946 1.00 0.00 C ATOM 1173 CG ASP A 73 7.740 -7.510 11.594 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.615 -8.208 11.036 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.138 -7.825 12.646 1.00 0.00 O ATOM 0 H ASP A 73 6.659 -4.274 9.621 1.00 0.00 H new ATOM 0 HA ASP A 73 7.268 -6.992 8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.281 -5.590 10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.736 -5.609 11.621 1.00 0.00 H new ATOM 1180 N ALA A 74 4.212 -6.378 9.555 1.00 0.00 N ATOM 1181 CA ALA A 74 2.872 -6.911 9.714 1.00 0.00 C ATOM 1182 C ALA A 74 2.014 -6.751 8.451 1.00 0.00 C ATOM 1183 O ALA A 74 0.818 -7.039 8.489 1.00 0.00 O ATOM 1184 CB ALA A 74 2.227 -6.203 10.905 1.00 0.00 C ATOM 0 H ALA A 74 4.230 -5.408 9.241 1.00 0.00 H new ATOM 0 HA ALA A 74 2.938 -7.985 9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.216 -6.583 11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.817 -6.389 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.187 -5.131 10.713 1.00 0.00 H new ATOM 1190 N MET A 75 2.600 -6.302 7.331 1.00 0.00 N ATOM 1191 CA MET A 75 1.853 -6.088 6.097 1.00 0.00 C ATOM 1192 C MET A 75 2.569 -6.606 4.852 1.00 0.00 C ATOM 1193 O MET A 75 1.923 -6.778 3.820 1.00 0.00 O ATOM 1194 CB MET A 75 1.578 -4.599 5.911 1.00 0.00 C ATOM 1195 CG MET A 75 0.495 -4.089 6.860 1.00 0.00 C ATOM 1196 SD MET A 75 -1.129 -4.872 6.642 1.00 0.00 S ATOM 1197 CE MET A 75 -1.258 -4.737 4.844 1.00 0.00 C ATOM 0 H MET A 75 3.593 -6.081 7.262 1.00 0.00 H new ATOM 0 HA MET A 75 0.928 -6.654 6.202 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.498 -4.038 6.077 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.273 -4.414 4.881 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.826 -4.247 7.887 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.387 -3.013 6.722 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.298 -4.864 4.543 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.906 -3.755 4.527 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.648 -5.510 4.376 1.00 0.00 H new ATOM 1207 N ASP A 76 3.877 -6.864 4.907 1.00 0.00 N ATOM 1208 CA ASP A 76 4.556 -7.411 3.745 1.00 0.00 C ATOM 1209 C ASP A 76 4.054 -8.827 3.467 1.00 0.00 C ATOM 1210 O ASP A 76 4.143 -9.707 4.320 1.00 0.00 O ATOM 1211 CB ASP A 76 6.067 -7.400 3.955 1.00 0.00 C ATOM 1212 CG ASP A 76 6.774 -7.920 2.708 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.589 -7.290 1.644 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.487 -8.941 2.833 1.00 0.00 O ATOM 0 H ASP A 76 4.469 -6.706 5.723 1.00 0.00 H new ATOM 0 HA ASP A 76 4.333 -6.788 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.404 -6.387 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.327 -8.018 4.814 1.00 0.00 H new ATOM 1219 N GLY A 77 3.521 -9.042 2.265 1.00 0.00 N ATOM 1220 CA GLY A 77 2.976 -10.329 1.864 1.00 0.00 C ATOM 1221 C GLY A 77 1.751 -10.700 2.699 1.00 0.00 C ATOM 1222 O GLY A 77 1.457 -11.880 2.880 1.00 0.00 O ATOM 0 H GLY A 77 3.457 -8.324 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.703 -10.298 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.740 -11.099 1.973 1.00 0.00 H new ATOM 1226 N ALA A 78 1.040 -9.691 3.211 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.108 -9.888 4.084 1.00 0.00 C ATOM 1228 C ALA A 78 -1.411 -10.002 3.295 1.00 0.00 C ATOM 1229 O ALA A 78 -2.480 -10.073 3.894 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.184 -8.729 5.072 1.00 0.00 C ATOM 0 H ALA A 78 1.251 -8.710 3.027 1.00 0.00 H new ATOM 0 HA ALA A 78 0.023 -10.828 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.041 -8.868 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.729 -8.697 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.294 -7.792 4.526 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.315 -10.021 1.959 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.447 -10.167 1.040 1.00 0.00 C ATOM 1238 C VAL A 79 -3.711 -9.476 1.564 1.00 0.00 C ATOM 1239 O VAL A 79 -4.676 -10.119 1.965 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.626 -11.654 0.667 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.620 -12.585 1.873 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.845 -11.869 -0.202 1.00 0.00 C ATOM 0 H VAL A 79 -0.421 -9.933 1.476 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.232 -9.639 0.111 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.748 -11.923 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.750 -13.614 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.670 -12.492 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.435 -12.316 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.937 -12.928 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.736 -11.540 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.742 -11.294 -1.122 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.696 -8.137 1.558 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.842 -7.349 1.991 1.00 0.00 C ATOM 1254 C LEU A 80 -6.049 -7.514 1.061 1.00 0.00 C ATOM 1255 O LEU A 80 -7.137 -7.050 1.391 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.448 -5.870 2.168 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.810 -4.954 0.983 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.363 -3.532 1.296 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.160 -5.389 -0.327 1.00 0.00 C ATOM 0 H LEU A 80 -2.896 -7.581 1.256 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.156 -7.732 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.932 -5.486 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.373 -5.814 2.336 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.890 -5.015 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.616 -2.879 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.867 -3.182 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.285 -3.516 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.453 -4.705 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.076 -5.375 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.486 -6.398 -0.578 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.874 -8.168 -0.094 1.00 0.00 N ATOM 1272 CA ASP A 81 -6.953 -8.338 -1.048 1.00 0.00 C ATOM 1273 C ASP A 81 -6.999 -9.762 -1.601 1.00 0.00 C ATOM 1274 O ASP A 81 -8.042 -10.410 -1.550 1.00 0.00 O ATOM 1275 CB ASP A 81 -6.791 -7.326 -2.184 1.00 0.00 C ATOM 1276 CG ASP A 81 -7.922 -7.483 -3.196 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -8.962 -6.822 -3.002 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.728 -8.265 -4.154 1.00 0.00 O ATOM 0 H ASP A 81 -4.989 -8.586 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.898 -8.162 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.792 -6.313 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.830 -7.472 -2.677 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.872 -10.255 -2.124 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.784 -11.630 -2.596 1.00 0.00 C ATOM 1285 C GLY A 82 -4.664 -11.858 -3.609 1.00 0.00 C ATOM 1286 O GLY A 82 -4.760 -12.781 -4.414 1.00 0.00 O ATOM 0 H GLY A 82 -5.011 -9.718 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.630 -12.289 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.735 -11.912 -3.049 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.609 -11.033 -3.579 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.497 -11.174 -4.512 1.00 0.00 C ATOM 1292 C ARG A 83 -1.136 -11.083 -3.826 1.00 0.00 C ATOM 1293 O ARG A 83 -0.131 -11.458 -4.425 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.625 -10.116 -5.598 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.925 -8.753 -4.974 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.530 -7.671 -5.968 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.147 -7.920 -7.278 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.483 -8.003 -8.436 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.166 -7.832 -8.506 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.151 -8.263 -9.555 1.00 0.00 N ATOM 0 H ARG A 83 -3.508 -10.263 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.549 -12.170 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.702 -10.064 -6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.421 -10.390 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.984 -8.674 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.372 -8.632 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.840 -6.695 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.445 -7.643 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.160 -8.039 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.632 -7.631 -7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.690 -7.902 -9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.162 -8.397 -9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.653 -8.328 -10.443 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.121 -10.586 -2.584 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.010 -10.629 -1.641 1.00 0.00 C ATOM 1316 C GLU A 84 0.742 -9.307 -1.660 1.00 0.00 C ATOM 1317 O GLU A 84 1.694 -9.126 -2.417 1.00 0.00 O ATOM 1318 CB GLU A 84 0.912 -11.839 -1.850 1.00 0.00 C ATOM 1319 CG GLU A 84 1.120 -12.567 -0.522 1.00 0.00 C ATOM 1320 CD GLU A 84 2.273 -13.561 -0.607 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.432 -13.093 -0.661 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.994 -14.782 -0.614 1.00 0.00 O ATOM 0 H GLU A 84 -1.936 -10.115 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.427 -10.768 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.476 -12.518 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.872 -11.512 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.321 -11.840 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.205 -13.091 -0.246 1.00 0.00 H new ATOM 1329 N LEU A 85 0.294 -8.377 -0.816 1.00 0.00 N ATOM 1330 CA LEU A 85 0.828 -7.030 -0.748 1.00 0.00 C ATOM 1331 C LEU A 85 2.346 -7.027 -0.575 1.00 0.00 C ATOM 1332 O LEU A 85 2.938 -8.035 -0.194 1.00 0.00 O ATOM 1333 CB LEU A 85 0.132 -6.333 0.421 1.00 0.00 C ATOM 1334 CG LEU A 85 0.350 -4.825 0.433 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -0.202 -4.181 -0.832 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -0.368 -4.261 1.643 1.00 0.00 C ATOM 0 H LEU A 85 -0.462 -8.548 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 85 0.637 -6.501 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.937 -6.539 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.498 -6.754 1.357 1.00 0.00 H new ATOM 0 HG LEU A 85 1.418 -4.613 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.033 -3.105 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.303 -4.599 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.272 -4.378 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.229 -3.180 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.432 -4.488 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.040 -4.708 2.549 1.00 0.00 H new ATOM 1348 N ARG A 86 2.980 -5.886 -0.851 1.00 0.00 N ATOM 1349 CA ARG A 86 4.414 -5.727 -0.706 1.00 0.00 C ATOM 1350 C ARG A 86 4.706 -4.466 0.087 1.00 0.00 C ATOM 1351 O ARG A 86 4.097 -3.424 -0.156 1.00 0.00 O ATOM 1352 CB ARG A 86 5.070 -5.638 -2.083 1.00 0.00 C ATOM 1353 CG ARG A 86 4.829 -6.888 -2.928 1.00 0.00 C ATOM 1354 CD ARG A 86 5.478 -8.104 -2.271 1.00 0.00 C ATOM 1355 NE ARG A 86 5.266 -9.318 -3.071 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.811 -10.477 -2.583 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.480 -10.603 -1.304 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.681 -11.530 -3.382 1.00 0.00 N ATOM 0 H ARG A 86 2.504 -5.047 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 86 4.820 -6.589 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.683 -4.766 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.143 -5.487 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.758 -7.056 -3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.239 -6.744 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.547 -7.928 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.063 -8.246 -1.273 1.00 0.00 H new ATOM 0 HE ARG A 86 5.481 -9.274 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.571 -9.807 -0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.135 -11.496 -0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.928 -11.455 -4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.334 -12.414 -3.009 1.00 0.00 H new ATOM 1372 N VAL A 87 5.637 -4.556 1.036 1.00 0.00 N ATOM 1373 CA VAL A 87 5.998 -3.416 1.860 1.00 0.00 C ATOM 1374 C VAL A 87 7.507 -3.374 2.054 1.00 0.00 C ATOM 1375 O VAL A 87 8.135 -4.392 2.346 1.00 0.00 O ATOM 1376 CB VAL A 87 5.282 -3.504 3.209 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.498 -2.192 3.951 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.789 -3.801 3.045 1.00 0.00 C ATOM 0 H VAL A 87 6.152 -5.410 1.249 1.00 0.00 H new ATOM 0 HA VAL A 87 5.688 -2.497 1.362 1.00 0.00 H new ATOM 0 HB VAL A 87 5.699 -4.332 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.995 -2.233 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.565 -2.032 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.089 -1.370 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.319 -3.855 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.322 -3.007 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.662 -4.753 2.529 1.00 0.00 H new ATOM 1388 N GLN A 88 8.076 -2.180 1.888 1.00 0.00 N ATOM 1389 CA GLN A 88 9.510 -1.962 1.948 1.00 0.00 C ATOM 1390 C GLN A 88 9.817 -0.478 2.044 1.00 0.00 C ATOM 1391 O GLN A 88 9.070 0.351 1.532 1.00 0.00 O ATOM 1392 CB GLN A 88 10.166 -2.543 0.689 1.00 0.00 C ATOM 1393 CG GLN A 88 9.440 -2.116 -0.591 1.00 0.00 C ATOM 1394 CD GLN A 88 10.181 -2.575 -1.845 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.403 -2.505 -1.924 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.443 -3.051 -2.845 1.00 0.00 N ATOM 0 H GLN A 88 7.542 -1.330 1.706 1.00 0.00 H new ATOM 0 HA GLN A 88 9.907 -2.459 2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.206 -2.219 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.174 -3.631 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.432 -2.531 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.338 -1.031 -0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.428 -3.098 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.892 -3.369 -3.704 1.00 0.00 H new ATOM 1405 N MET A 89 10.918 -0.132 2.701 1.00 0.00 N ATOM 1406 CA MET A 89 11.385 1.241 2.791 1.00 0.00 C ATOM 1407 C MET A 89 11.502 1.855 1.401 1.00 0.00 C ATOM 1408 O MET A 89 11.972 1.218 0.461 1.00 0.00 O ATOM 1409 CB MET A 89 12.733 1.253 3.509 1.00 0.00 C ATOM 1410 CG MET A 89 12.480 0.926 4.980 1.00 0.00 C ATOM 1411 SD MET A 89 11.851 2.343 5.914 1.00 0.00 S ATOM 1412 CE MET A 89 11.164 1.466 7.335 1.00 0.00 C ATOM 0 H MET A 89 11.513 -0.802 3.188 1.00 0.00 H new ATOM 0 HA MET A 89 10.670 1.840 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.409 0.522 3.066 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.210 2.228 3.411 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.765 0.106 5.048 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.408 0.579 5.435 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.330 2.052 8.239 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.094 1.319 7.189 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.653 0.497 7.436 1.00 0.00 H new ATOM 1422 N ALA A 90 11.062 3.108 1.280 1.00 0.00 N ATOM 1423 CA ALA A 90 11.111 3.869 0.040 1.00 0.00 C ATOM 1424 C ALA A 90 12.541 4.320 -0.271 1.00 0.00 C ATOM 1425 O ALA A 90 12.751 5.071 -1.215 1.00 0.00 O ATOM 1426 CB ALA A 90 10.161 5.061 0.163 1.00 0.00 C ATOM 0 H ALA A 90 10.655 3.628 2.057 1.00 0.00 H new ATOM 0 HA ALA A 90 10.793 3.240 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.186 5.642 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.147 4.702 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.472 5.690 0.997 1.00 0.00 H new