USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-2.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -83:sc= 0.386 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -100:sc= 0.679 USER MOD Single : A 62 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.017) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -0.0167 (180deg=-0.196) USER MOD Single : A 69 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -2.92! (180deg=-3.88!) USER MOD Single : A 72 SER OG : rot -171:sc= -0.29 USER MOD Single : A 74 THR OG1 : rot -160:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 84 LYS NZ :NH3+ 137:sc= -2.03! (180deg=-3.87!) USER MOD Single : A 85 ASN : amide:sc= 0.127 K(o=0.13,f=-0.86) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= 0.261 (180deg=0.0937) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 98 MET CE :methyl 178:sc= -1.51 (180deg=-1.53) USER MOD Single : A 100 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-5.5!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -40:sc= 0.176 USER MOD Single : A 109 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.024) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -1.338 -1.581 11.041 1.00 0.00 N ATOM 225 CA HIS A 19 -2.199 -2.039 9.959 1.00 0.00 C ATOM 226 C HIS A 19 -2.267 -3.562 9.910 1.00 0.00 C ATOM 227 O HIS A 19 -2.575 -4.132 8.875 1.00 0.00 O ATOM 228 CB HIS A 19 -1.684 -1.511 8.611 1.00 0.00 C ATOM 229 CG HIS A 19 -1.687 -0.017 8.500 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.674 0.790 8.973 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.603 0.819 7.948 1.00 0.00 C ATOM 232 CE1 HIS A 19 -1.000 2.059 8.701 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.161 2.133 8.079 1.00 0.00 N ATOM 0 HA HIS A 19 -3.200 -1.652 10.148 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.668 -1.875 8.454 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.298 -1.926 7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.528 0.514 7.481 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.391 2.913 8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.636 2.977 7.760 1.00 0.00 H new ATOM 240 N THR A 20 -1.951 -4.224 11.018 1.00 0.00 N ATOM 241 CA THR A 20 -1.967 -5.686 11.056 1.00 0.00 C ATOM 242 C THR A 20 -3.393 -6.261 10.994 1.00 0.00 C ATOM 243 O THR A 20 -4.195 -6.077 11.910 1.00 0.00 O ATOM 244 CB THR A 20 -1.239 -6.224 12.312 1.00 0.00 C ATOM 245 OG1 THR A 20 -1.483 -7.627 12.470 1.00 0.00 O ATOM 246 CG2 THR A 20 -1.678 -5.483 13.571 1.00 0.00 C ATOM 0 H THR A 20 -1.683 -3.778 11.895 1.00 0.00 H new ATOM 0 HA THR A 20 -1.434 -6.019 10.165 1.00 0.00 H new ATOM 0 HB THR A 20 -0.172 -6.056 12.169 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.015 -7.953 13.267 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.148 -5.886 14.434 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.449 -4.422 13.467 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.751 -5.611 13.713 1.00 0.00 H new ATOM 254 N LEU A 21 -3.687 -6.963 9.896 1.00 0.00 N ATOM 255 CA LEU A 21 -4.988 -7.601 9.681 1.00 0.00 C ATOM 256 C LEU A 21 -4.873 -8.636 8.561 1.00 0.00 C ATOM 257 O LEU A 21 -3.815 -8.762 7.948 1.00 0.00 O ATOM 258 CB LEU A 21 -6.059 -6.562 9.338 1.00 0.00 C ATOM 259 CG LEU A 21 -7.180 -6.416 10.375 1.00 0.00 C ATOM 260 CD1 LEU A 21 -7.335 -4.962 10.796 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.493 -6.954 9.823 1.00 0.00 C ATOM 0 H LEU A 21 -3.028 -7.105 9.130 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.288 -8.099 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.576 -5.594 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.505 -6.825 8.379 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.911 -7.001 11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.135 -4.880 11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.401 -4.608 11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.580 -4.355 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.276 -6.842 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.766 -6.397 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.378 -8.009 9.574 1.00 0.00 H new ATOM 273 N LEU A 22 -5.947 -9.386 8.303 1.00 0.00 N ATOM 274 CA LEU A 22 -5.918 -10.415 7.259 1.00 0.00 C ATOM 275 C LEU A 22 -6.110 -9.839 5.851 1.00 0.00 C ATOM 276 O LEU A 22 -5.258 -10.027 4.983 1.00 0.00 O ATOM 277 CB LEU A 22 -6.984 -11.480 7.532 1.00 0.00 C ATOM 278 CG LEU A 22 -6.449 -12.810 8.072 1.00 0.00 C ATOM 279 CD1 LEU A 22 -5.962 -12.654 9.505 1.00 0.00 C ATOM 280 CD2 LEU A 22 -7.520 -13.889 7.985 1.00 0.00 C ATOM 0 H LEU A 22 -6.837 -9.303 8.795 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.926 -10.866 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.703 -11.078 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.528 -11.673 6.607 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.602 -13.113 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.587 -13.611 9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.162 -11.914 9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.788 -12.325 10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.123 -14.827 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.386 -13.590 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.818 -14.023 6.945 1.00 0.00 H new ATOM 292 N PHE A 23 -7.227 -9.145 5.617 1.00 0.00 N ATOM 293 CA PHE A 23 -7.497 -8.554 4.300 1.00 0.00 C ATOM 294 C PHE A 23 -6.577 -7.366 4.047 1.00 0.00 C ATOM 295 O PHE A 23 -6.135 -7.119 2.924 1.00 0.00 O ATOM 296 CB PHE A 23 -8.960 -8.118 4.186 1.00 0.00 C ATOM 297 CG PHE A 23 -9.926 -9.266 4.078 1.00 0.00 C ATOM 298 CD1 PHE A 23 -10.553 -9.774 5.204 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.205 -9.838 2.846 1.00 0.00 C ATOM 300 CE1 PHE A 23 -11.440 -10.829 5.105 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.091 -10.893 2.739 1.00 0.00 C ATOM 302 CZ PHE A 23 -11.708 -11.391 3.870 1.00 0.00 C ATOM 0 H PHE A 23 -7.953 -8.979 6.313 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.304 -9.316 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.220 -7.517 5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.072 -7.477 3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.346 -9.340 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.724 -9.454 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.923 -11.214 5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.301 -11.327 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.398 -12.218 3.790 1.00 0.00 H new ATOM 312 N ASP A 24 -6.309 -6.633 5.114 1.00 0.00 N ATOM 313 CA ASP A 24 -5.432 -5.473 5.076 1.00 0.00 C ATOM 314 C ASP A 24 -4.173 -5.769 5.869 1.00 0.00 C ATOM 315 O ASP A 24 -3.992 -5.253 6.963 1.00 0.00 O ATOM 316 CB ASP A 24 -6.107 -4.187 5.585 1.00 0.00 C ATOM 317 CG ASP A 24 -6.922 -4.371 6.854 1.00 0.00 C ATOM 318 OD1 ASP A 24 -7.806 -5.258 6.878 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.686 -3.619 7.820 1.00 0.00 O ATOM 0 H ASP A 24 -6.696 -6.826 6.038 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.181 -5.287 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.340 -3.434 5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.758 -3.797 4.802 1.00 0.00 H new ATOM 324 N LEU A 25 -3.352 -6.665 5.320 1.00 0.00 N ATOM 325 CA LEU A 25 -2.091 -7.093 5.936 1.00 0.00 C ATOM 326 C LEU A 25 -1.261 -5.899 6.425 1.00 0.00 C ATOM 327 O LEU A 25 -1.447 -4.776 5.951 1.00 0.00 O ATOM 328 CB LEU A 25 -1.276 -7.894 4.909 1.00 0.00 C ATOM 329 CG LEU A 25 -1.907 -9.215 4.462 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.161 -9.790 3.271 1.00 0.00 C ATOM 331 CD2 LEU A 25 -1.928 -10.215 5.608 1.00 0.00 C ATOM 0 H LEU A 25 -3.543 -7.119 4.427 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.330 -7.710 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.117 -7.270 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.294 -8.104 5.333 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.935 -9.015 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.626 -10.729 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.199 -9.083 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.122 -9.971 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.380 -11.147 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.908 -10.407 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.510 -9.809 6.435 1.00 0.00 H new ATOM 343 N PRO A 26 -0.344 -6.146 7.399 1.00 0.00 N ATOM 344 CA PRO A 26 0.541 -5.129 8.003 1.00 0.00 C ATOM 345 C PRO A 26 1.102 -4.106 7.000 1.00 0.00 C ATOM 346 O PRO A 26 1.067 -4.326 5.785 1.00 0.00 O ATOM 347 CB PRO A 26 1.689 -5.965 8.605 1.00 0.00 C ATOM 348 CG PRO A 26 1.357 -7.402 8.340 1.00 0.00 C ATOM 349 CD PRO A 26 -0.107 -7.455 8.018 1.00 0.00 C ATOM 0 HA PRO A 26 -0.007 -4.521 8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.643 -5.698 8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.783 -5.780 9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.950 -7.789 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.584 -8.018 9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.344 -8.274 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.714 -7.597 8.912 1.00 0.00 H new ATOM 357 N PRO A 27 1.670 -2.986 7.514 1.00 0.00 N ATOM 358 CA PRO A 27 2.224 -1.894 6.694 1.00 0.00 C ATOM 359 C PRO A 27 3.186 -2.338 5.593 1.00 0.00 C ATOM 360 O PRO A 27 3.569 -1.535 4.761 1.00 0.00 O ATOM 361 CB PRO A 27 2.963 -1.019 7.698 1.00 0.00 C ATOM 362 CG PRO A 27 2.244 -1.239 8.971 1.00 0.00 C ATOM 363 CD PRO A 27 1.804 -2.679 8.954 1.00 0.00 C ATOM 0 HA PRO A 27 1.419 -1.396 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.012 -1.305 7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.940 0.030 7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.891 -1.039 9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.388 -0.570 9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.536 -3.327 9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.861 -2.816 9.482 1.00 0.00 H new ATOM 371 N ALA A 28 3.580 -3.601 5.591 1.00 0.00 N ATOM 372 CA ALA A 28 4.486 -4.112 4.578 1.00 0.00 C ATOM 373 C ALA A 28 3.926 -3.873 3.172 1.00 0.00 C ATOM 374 O ALA A 28 4.685 -3.619 2.238 1.00 0.00 O ATOM 375 CB ALA A 28 4.745 -5.594 4.802 1.00 0.00 C ATOM 0 H ALA A 28 3.285 -4.292 6.281 1.00 0.00 H new ATOM 0 HA ALA A 28 5.430 -3.574 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.426 -5.964 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.191 -5.741 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.804 -6.140 4.746 1.00 0.00 H new ATOM 381 N LEU A 29 2.600 -3.962 3.015 1.00 0.00 N ATOM 382 CA LEU A 29 1.994 -3.737 1.701 1.00 0.00 C ATOM 383 C LEU A 29 1.233 -2.403 1.622 1.00 0.00 C ATOM 384 O LEU A 29 1.749 -1.431 1.079 1.00 0.00 O ATOM 385 CB LEU A 29 1.073 -4.906 1.329 1.00 0.00 C ATOM 386 CG LEU A 29 0.793 -5.056 -0.168 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.066 -4.895 -0.974 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.161 -6.407 -0.460 1.00 0.00 C ATOM 0 H LEU A 29 1.941 -4.183 3.762 1.00 0.00 H new ATOM 0 HA LEU A 29 2.809 -3.679 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.519 -5.831 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.124 -4.782 1.850 1.00 0.00 H new ATOM 0 HG LEU A 29 0.096 -4.270 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.841 -5.006 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.488 -3.906 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.785 -5.657 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.031 -6.495 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.838 -7.201 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.779 -6.495 0.086 1.00 0.00 H new ATOM 400 N LEU A 30 0.023 -2.350 2.183 1.00 0.00 N ATOM 401 CA LEU A 30 -0.802 -1.132 2.140 1.00 0.00 C ATOM 402 C LEU A 30 -0.172 0.052 2.881 1.00 0.00 C ATOM 403 O LEU A 30 -0.081 1.143 2.326 1.00 0.00 O ATOM 404 CB LEU A 30 -2.201 -1.406 2.721 1.00 0.00 C ATOM 405 CG LEU A 30 -3.381 -1.086 1.799 1.00 0.00 C ATOM 406 CD1 LEU A 30 -4.696 -1.214 2.553 1.00 0.00 C ATOM 407 CD2 LEU A 30 -3.247 0.309 1.203 1.00 0.00 C ATOM 0 H LEU A 30 -0.410 -3.133 2.673 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.876 -0.857 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.258 -2.458 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.313 -0.826 3.637 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.374 -1.807 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.524 -0.983 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.804 -2.233 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.704 -0.518 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.098 0.510 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.221 1.046 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.325 0.370 0.624 1.00 0.00 H new ATOM 419 N GLY A 31 0.274 -0.163 4.119 1.00 0.00 N ATOM 420 CA GLY A 31 0.832 0.932 4.910 1.00 0.00 C ATOM 421 C GLY A 31 2.052 1.616 4.300 1.00 0.00 C ATOM 422 O GLY A 31 2.069 2.839 4.160 1.00 0.00 O ATOM 0 H GLY A 31 0.261 -1.068 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.055 1.680 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.104 0.547 5.893 1.00 0.00 H new ATOM 426 N GLU A 32 3.059 0.840 3.922 1.00 0.00 N ATOM 427 CA GLU A 32 4.284 1.392 3.351 1.00 0.00 C ATOM 428 C GLU A 32 4.082 1.941 1.942 1.00 0.00 C ATOM 429 O GLU A 32 4.575 3.021 1.622 1.00 0.00 O ATOM 430 CB GLU A 32 5.390 0.332 3.357 1.00 0.00 C ATOM 431 CG GLU A 32 6.776 0.873 3.018 1.00 0.00 C ATOM 432 CD GLU A 32 7.091 0.810 1.537 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.514 -0.054 0.843 1.00 0.00 O ATOM 434 OE2 GLU A 32 7.918 1.619 1.070 1.00 0.00 O ATOM 0 H GLU A 32 3.053 -0.177 4.000 1.00 0.00 H new ATOM 0 HA GLU A 32 4.580 2.234 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.425 -0.135 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.133 -0.450 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.849 1.907 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.526 0.305 3.568 1.00 0.00 H new ATOM 441 N LEU A 33 3.358 1.209 1.102 1.00 0.00 N ATOM 442 CA LEU A 33 3.150 1.645 -0.274 1.00 0.00 C ATOM 443 C LEU A 33 2.281 2.900 -0.372 1.00 0.00 C ATOM 444 O LEU A 33 2.547 3.765 -1.203 1.00 0.00 O ATOM 445 CB LEU A 33 2.591 0.510 -1.142 1.00 0.00 C ATOM 446 CG LEU A 33 3.542 -0.676 -1.329 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.899 -1.738 -2.200 1.00 0.00 C ATOM 448 CD2 LEU A 33 4.865 -0.223 -1.927 1.00 0.00 C ATOM 0 H LEU A 33 2.912 0.325 1.344 1.00 0.00 H new ATOM 0 HA LEU A 33 4.131 1.916 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.665 0.149 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.335 0.912 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 33 3.745 -1.107 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.588 -2.574 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.982 -2.090 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.664 -1.315 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.522 -1.084 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.686 0.239 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.336 0.501 -1.262 1.00 0.00 H new ATOM 460 N CYS A 34 1.245 3.013 0.456 1.00 0.00 N ATOM 461 CA CYS A 34 0.385 4.194 0.399 1.00 0.00 C ATOM 462 C CYS A 34 1.067 5.425 1.005 1.00 0.00 C ATOM 463 O CYS A 34 0.825 6.550 0.570 1.00 0.00 O ATOM 464 CB CYS A 34 -0.956 3.948 1.101 1.00 0.00 C ATOM 465 SG CYS A 34 -0.861 3.879 2.905 1.00 0.00 S ATOM 0 H CYS A 34 0.984 2.321 1.158 1.00 0.00 H new ATOM 0 HA CYS A 34 0.197 4.389 -0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.650 4.739 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.375 3.010 0.736 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.497 2.687 3.275 1.00 0.00 H new ATOM 471 N ALA A 35 1.915 5.213 2.012 1.00 0.00 N ATOM 472 CA ALA A 35 2.600 6.323 2.678 1.00 0.00 C ATOM 473 C ALA A 35 3.897 6.747 1.986 1.00 0.00 C ATOM 474 O ALA A 35 4.057 7.911 1.617 1.00 0.00 O ATOM 475 CB ALA A 35 2.886 5.965 4.131 1.00 0.00 C ATOM 0 H ALA A 35 2.143 4.291 2.383 1.00 0.00 H new ATOM 0 HA ALA A 35 1.924 7.176 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.395 6.797 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.948 5.762 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.520 5.079 4.169 1.00 0.00 H new ATOM 481 N VAL A 36 4.818 5.802 1.812 1.00 0.00 N ATOM 482 CA VAL A 36 6.122 6.090 1.207 1.00 0.00 C ATOM 483 C VAL A 36 6.017 6.538 -0.255 1.00 0.00 C ATOM 484 O VAL A 36 6.652 7.518 -0.648 1.00 0.00 O ATOM 485 CB VAL A 36 7.076 4.877 1.328 1.00 0.00 C ATOM 486 CG1 VAL A 36 8.353 5.098 0.526 1.00 0.00 C ATOM 487 CG2 VAL A 36 7.406 4.610 2.788 1.00 0.00 C ATOM 0 H VAL A 36 4.688 4.827 2.081 1.00 0.00 H new ATOM 0 HA VAL A 36 6.537 6.926 1.770 1.00 0.00 H new ATOM 0 HB VAL A 36 6.568 4.005 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.003 4.229 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.102 5.239 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.868 5.983 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.078 3.754 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.889 5.487 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.488 4.397 3.335 1.00 0.00 H new ATOM 497 N LEU A 37 5.208 5.845 -1.056 1.00 0.00 N ATOM 498 CA LEU A 37 5.068 6.206 -2.468 1.00 0.00 C ATOM 499 C LEU A 37 4.261 7.493 -2.628 1.00 0.00 C ATOM 500 O LEU A 37 4.282 8.118 -3.682 1.00 0.00 O ATOM 501 CB LEU A 37 4.420 5.085 -3.288 1.00 0.00 C ATOM 502 CG LEU A 37 5.151 3.740 -3.282 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.403 2.739 -4.144 1.00 0.00 C ATOM 504 CD2 LEU A 37 6.587 3.900 -3.764 1.00 0.00 C ATOM 0 H LEU A 37 4.649 5.045 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 37 6.076 6.366 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.408 4.928 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.330 5.423 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 37 5.183 3.366 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.930 1.785 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.396 2.601 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.345 3.111 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.085 2.931 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.588 4.295 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.117 4.589 -3.107 1.00 0.00 H new ATOM 516 N ASP A 38 3.523 7.870 -1.588 1.00 0.00 N ATOM 517 CA ASP A 38 2.724 9.094 -1.616 1.00 0.00 C ATOM 518 C ASP A 38 3.607 10.315 -1.860 1.00 0.00 C ATOM 519 O ASP A 38 3.220 11.245 -2.564 1.00 0.00 O ATOM 520 CB ASP A 38 1.953 9.264 -0.305 1.00 0.00 C ATOM 521 CG ASP A 38 1.111 10.525 -0.282 1.00 0.00 C ATOM 522 OD1 ASP A 38 0.146 10.609 -1.067 1.00 0.00 O ATOM 523 OD2 ASP A 38 1.417 11.426 0.527 1.00 0.00 O ATOM 0 H ASP A 38 3.461 7.347 -0.715 1.00 0.00 H new ATOM 0 HA ASP A 38 2.012 9.009 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.308 8.398 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.658 9.287 0.526 1.00 0.00 H new ATOM 528 N SER A 39 4.795 10.299 -1.270 1.00 0.00 N ATOM 529 CA SER A 39 5.744 11.400 -1.413 1.00 0.00 C ATOM 530 C SER A 39 6.615 11.221 -2.657 1.00 0.00 C ATOM 531 O SER A 39 7.563 11.977 -2.877 1.00 0.00 O ATOM 532 CB SER A 39 6.630 11.500 -0.169 1.00 0.00 C ATOM 533 OG SER A 39 5.854 11.745 0.992 1.00 0.00 O ATOM 0 H SER A 39 5.127 9.533 -0.685 1.00 0.00 H new ATOM 0 HA SER A 39 5.173 12.322 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.194 10.575 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.357 12.301 -0.300 1.00 0.00 H new ATOM 0 HG SER A 39 6.443 11.803 1.773 1.00 0.00 H new ATOM 539 N CYS A 40 6.295 10.207 -3.460 1.00 0.00 N ATOM 540 CA CYS A 40 7.044 9.916 -4.679 1.00 0.00 C ATOM 541 C CYS A 40 6.908 11.042 -5.700 1.00 0.00 C ATOM 542 O CYS A 40 5.841 11.635 -5.857 1.00 0.00 O ATOM 543 CB CYS A 40 6.576 8.603 -5.301 1.00 0.00 C ATOM 544 SG CYS A 40 7.512 8.105 -6.758 1.00 0.00 S ATOM 0 H CYS A 40 5.517 9.571 -3.286 1.00 0.00 H new ATOM 0 HA CYS A 40 8.094 9.827 -4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.643 7.814 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.524 8.696 -5.572 1.00 0.00 H new ATOM 0 HG CYS A 40 6.845 8.416 -7.830 1.00 0.00 H new ATOM 550 N ASP A 41 8.001 11.320 -6.396 1.00 0.00 N ATOM 551 CA ASP A 41 8.028 12.375 -7.400 1.00 0.00 C ATOM 552 C ASP A 41 8.649 11.855 -8.692 1.00 0.00 C ATOM 553 O ASP A 41 9.511 12.497 -9.290 1.00 0.00 O ATOM 554 CB ASP A 41 8.812 13.586 -6.887 1.00 0.00 C ATOM 555 CG ASP A 41 8.454 14.863 -7.623 1.00 0.00 C ATOM 556 OD1 ASP A 41 7.378 14.901 -8.258 1.00 0.00 O ATOM 557 OD2 ASP A 41 9.249 15.824 -7.563 1.00 0.00 O ATOM 0 H ASP A 41 8.886 10.826 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 41 7.003 12.687 -7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.617 13.717 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.880 13.396 -6.994 1.00 0.00 H new ATOM 562 N GLY A 42 8.208 10.670 -9.105 1.00 0.00 N ATOM 563 CA GLY A 42 8.713 10.064 -10.325 1.00 0.00 C ATOM 564 C GLY A 42 9.885 9.122 -10.098 1.00 0.00 C ATOM 565 O GLY A 42 10.267 8.387 -11.005 1.00 0.00 O ATOM 0 H GLY A 42 7.506 10.116 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.905 9.515 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.019 10.852 -11.012 1.00 0.00 H new ATOM 569 N ALA A 43 10.459 9.145 -8.893 1.00 0.00 N ATOM 570 CA ALA A 43 11.589 8.270 -8.569 1.00 0.00 C ATOM 571 C ALA A 43 11.182 6.799 -8.639 1.00 0.00 C ATOM 572 O ALA A 43 11.913 5.962 -9.166 1.00 0.00 O ATOM 573 CB ALA A 43 12.137 8.603 -7.188 1.00 0.00 C ATOM 0 H ALA A 43 10.163 9.755 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 43 12.372 8.440 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.976 7.945 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.474 9.640 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.354 8.463 -6.443 1.00 0.00 H new ATOM 579 N LEU A 44 10.006 6.497 -8.093 1.00 0.00 N ATOM 580 CA LEU A 44 9.464 5.138 -8.111 1.00 0.00 C ATOM 581 C LEU A 44 8.201 5.112 -8.957 1.00 0.00 C ATOM 582 O LEU A 44 7.820 4.080 -9.508 1.00 0.00 O ATOM 583 CB LEU A 44 9.129 4.633 -6.691 1.00 0.00 C ATOM 584 CG LEU A 44 10.302 4.551 -5.700 1.00 0.00 C ATOM 585 CD1 LEU A 44 11.575 4.077 -6.390 1.00 0.00 C ATOM 586 CD2 LEU A 44 10.524 5.891 -5.015 1.00 0.00 C ATOM 0 H LEU A 44 9.406 7.179 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 44 10.225 4.481 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.368 5.288 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.684 3.641 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 44 10.044 3.816 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.386 4.029 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.411 3.087 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.840 4.775 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.358 5.810 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.749 6.650 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.623 6.175 -4.471 1.00 0.00 H new ATOM 598 N GLY A 45 7.570 6.276 -9.056 1.00 0.00 N ATOM 599 CA GLY A 45 6.337 6.403 -9.796 1.00 0.00 C ATOM 600 C GLY A 45 5.157 5.914 -8.983 1.00 0.00 C ATOM 601 O GLY A 45 5.084 4.728 -8.665 1.00 0.00 O ATOM 0 H GLY A 45 7.899 7.142 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.183 7.445 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.405 5.832 -10.722 1.00 0.00 H new ATOM 605 N TRP A 46 4.246 6.817 -8.618 1.00 0.00 N ATOM 606 CA TRP A 46 3.058 6.418 -7.857 1.00 0.00 C ATOM 607 C TRP A 46 2.327 5.275 -8.569 1.00 0.00 C ATOM 608 O TRP A 46 1.924 4.293 -7.944 1.00 0.00 O ATOM 609 CB TRP A 46 2.114 7.613 -7.641 1.00 0.00 C ATOM 610 CG TRP A 46 2.020 8.554 -8.809 1.00 0.00 C ATOM 611 CD1 TRP A 46 1.188 8.450 -9.886 1.00 0.00 C ATOM 612 CD2 TRP A 46 2.772 9.759 -8.999 1.00 0.00 C ATOM 613 NE1 TRP A 46 1.385 9.508 -10.739 1.00 0.00 N ATOM 614 CE2 TRP A 46 2.351 10.326 -10.217 1.00 0.00 C ATOM 615 CE3 TRP A 46 3.764 10.410 -8.261 1.00 0.00 C ATOM 616 CZ2 TRP A 46 2.887 11.513 -10.711 1.00 0.00 C ATOM 617 CZ3 TRP A 46 4.294 11.589 -8.752 1.00 0.00 C ATOM 618 CH2 TRP A 46 3.854 12.131 -9.966 1.00 0.00 C ATOM 0 H TRP A 46 4.304 7.813 -8.831 1.00 0.00 H new ATOM 0 HA TRP A 46 3.384 6.066 -6.878 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.117 7.235 -7.414 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.450 8.171 -6.767 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.478 7.652 -10.044 1.00 0.00 H new ATOM 0 HE1 TRP A 46 0.892 9.660 -11.619 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.111 10.000 -7.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.551 11.931 -11.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.061 12.101 -8.189 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.286 13.055 -10.321 1.00 0.00 H new ATOM 629 N ARG A 47 2.149 5.425 -9.877 1.00 0.00 N ATOM 630 CA ARG A 47 1.517 4.397 -10.704 1.00 0.00 C ATOM 631 C ARG A 47 2.511 3.328 -11.146 1.00 0.00 C ATOM 632 O ARG A 47 2.140 2.425 -11.866 1.00 0.00 O ATOM 633 CB ARG A 47 0.830 5.001 -11.936 1.00 0.00 C ATOM 634 CG ARG A 47 1.758 5.790 -12.848 1.00 0.00 C ATOM 635 CD ARG A 47 0.976 6.557 -13.903 1.00 0.00 C ATOM 636 NE ARG A 47 1.842 7.396 -14.732 1.00 0.00 N ATOM 637 CZ ARG A 47 2.451 6.974 -15.837 1.00 0.00 C ATOM 638 NH1 ARG A 47 3.217 7.806 -16.532 1.00 0.00 N ATOM 639 NH2 ARG A 47 2.295 5.724 -16.250 1.00 0.00 N ATOM 0 H ARG A 47 2.436 6.256 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 47 0.760 3.926 -10.076 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.371 4.197 -12.512 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.024 5.655 -11.604 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.350 6.486 -12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.458 5.110 -13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.439 5.853 -14.538 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.227 7.181 -13.415 1.00 0.00 H new ATOM 0 HE ARG A 47 1.988 8.364 -14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.339 8.769 -16.219 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.684 7.482 -17.379 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.706 5.082 -15.720 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.764 5.405 -17.098 1.00 0.00 H new ATOM 653 N GLY A 48 3.769 3.433 -10.727 1.00 0.00 N ATOM 654 CA GLY A 48 4.777 2.472 -11.160 1.00 0.00 C ATOM 655 C GLY A 48 4.430 1.029 -10.841 1.00 0.00 C ATOM 656 O GLY A 48 4.480 0.171 -11.723 1.00 0.00 O ATOM 0 H GLY A 48 4.110 4.161 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.921 2.571 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.727 2.720 -10.687 1.00 0.00 H new ATOM 660 N LEU A 49 4.074 0.751 -9.595 1.00 0.00 N ATOM 661 CA LEU A 49 3.714 -0.606 -9.197 1.00 0.00 C ATOM 662 C LEU A 49 2.355 -1.013 -9.774 1.00 0.00 C ATOM 663 O LEU A 49 2.181 -2.141 -10.239 1.00 0.00 O ATOM 664 CB LEU A 49 3.698 -0.724 -7.671 1.00 0.00 C ATOM 665 CG LEU A 49 5.062 -0.551 -6.993 1.00 0.00 C ATOM 666 CD1 LEU A 49 4.907 -0.537 -5.483 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.018 -1.657 -7.415 1.00 0.00 C ATOM 0 H LEU A 49 4.026 1.441 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 49 4.467 -1.285 -9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.013 0.024 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.296 -1.701 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 49 5.480 0.404 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.885 -0.413 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.259 0.290 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.465 -1.477 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.980 -1.514 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.604 -2.624 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.156 -1.626 -8.496 1.00 0.00 H new ATOM 679 N ALA A 50 1.397 -0.086 -9.737 1.00 0.00 N ATOM 680 CA ALA A 50 0.049 -0.341 -10.249 1.00 0.00 C ATOM 681 C ALA A 50 0.017 -0.577 -11.756 1.00 0.00 C ATOM 682 O ALA A 50 -0.687 -1.464 -12.236 1.00 0.00 O ATOM 683 CB ALA A 50 -0.869 0.814 -9.900 1.00 0.00 C ATOM 0 H ALA A 50 1.530 0.851 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.296 -1.258 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.869 0.614 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.914 0.929 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.485 1.731 -10.346 1.00 0.00 H new ATOM 689 N GLU A 51 0.791 0.220 -12.491 1.00 0.00 N ATOM 690 CA GLU A 51 0.842 0.141 -13.945 1.00 0.00 C ATOM 691 C GLU A 51 1.302 -1.240 -14.407 1.00 0.00 C ATOM 692 O GLU A 51 0.741 -1.811 -15.343 1.00 0.00 O ATOM 693 CB GLU A 51 1.787 1.214 -14.502 1.00 0.00 C ATOM 694 CG GLU A 51 1.874 1.233 -16.023 1.00 0.00 C ATOM 695 CD GLU A 51 2.805 2.309 -16.546 1.00 0.00 C ATOM 696 OE1 GLU A 51 3.410 3.025 -15.720 1.00 0.00 O ATOM 697 OE2 GLU A 51 2.927 2.440 -17.782 1.00 0.00 O ATOM 0 H GLU A 51 1.398 0.937 -12.094 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.165 0.313 -14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.454 2.192 -14.155 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.784 1.053 -14.093 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.217 0.260 -16.375 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.878 1.388 -16.437 1.00 0.00 H new ATOM 704 N ARG A 52 2.336 -1.761 -13.753 1.00 0.00 N ATOM 705 CA ARG A 52 2.876 -3.074 -14.089 1.00 0.00 C ATOM 706 C ARG A 52 1.851 -4.174 -13.819 1.00 0.00 C ATOM 707 O ARG A 52 1.746 -5.133 -14.584 1.00 0.00 O ATOM 708 CB ARG A 52 4.166 -3.343 -13.310 1.00 0.00 C ATOM 709 CG ARG A 52 5.326 -2.461 -13.750 1.00 0.00 C ATOM 710 CD ARG A 52 6.616 -2.817 -13.029 1.00 0.00 C ATOM 711 NE ARG A 52 7.719 -1.948 -13.435 1.00 0.00 N ATOM 712 CZ ARG A 52 8.421 -2.106 -14.557 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.425 -1.283 -14.834 1.00 0.00 N ATOM 714 NH2 ARG A 52 8.116 -3.082 -15.405 1.00 0.00 N ATOM 0 H ARG A 52 2.818 -1.292 -12.986 1.00 0.00 H new ATOM 0 HA ARG A 52 3.107 -3.079 -15.154 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.981 -3.186 -12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.446 -4.389 -13.433 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.472 -2.563 -14.825 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.080 -1.416 -13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.466 -2.736 -11.952 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.875 -3.855 -13.237 1.00 0.00 H new ATOM 0 HE ARG A 52 7.967 -1.172 -12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.660 -0.529 -14.188 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.962 -1.404 -15.693 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.342 -3.714 -15.199 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.656 -3.200 -16.263 1.00 0.00 H new ATOM 851 N ASP A 61 -6.191 7.742 -15.072 1.00 0.00 N ATOM 852 CA ASP A 61 -6.835 9.046 -14.941 1.00 0.00 C ATOM 853 C ASP A 61 -7.166 9.337 -13.479 1.00 0.00 C ATOM 854 O ASP A 61 -6.931 10.438 -12.986 1.00 0.00 O ATOM 855 CB ASP A 61 -8.109 9.103 -15.788 1.00 0.00 C ATOM 856 CG ASP A 61 -8.750 10.477 -15.780 1.00 0.00 C ATOM 857 OD1 ASP A 61 -8.127 11.425 -16.302 1.00 0.00 O ATOM 858 OD2 ASP A 61 -9.876 10.602 -15.258 1.00 0.00 O ATOM 0 HA ASP A 61 -6.141 9.806 -15.300 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.872 8.822 -16.814 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.824 8.370 -15.414 1.00 0.00 H new ATOM 863 N HIS A 62 -7.704 8.328 -12.793 1.00 0.00 N ATOM 864 CA HIS A 62 -8.074 8.460 -11.383 1.00 0.00 C ATOM 865 C HIS A 62 -6.835 8.476 -10.482 1.00 0.00 C ATOM 866 O HIS A 62 -6.871 9.028 -9.381 1.00 0.00 O ATOM 867 CB HIS A 62 -9.024 7.334 -10.967 1.00 0.00 C ATOM 868 CG HIS A 62 -9.910 7.700 -9.814 1.00 0.00 C ATOM 869 ND1 HIS A 62 -10.916 8.638 -9.889 1.00 0.00 N ATOM 870 CD2 HIS A 62 -9.924 7.240 -8.538 1.00 0.00 C ATOM 871 CE1 HIS A 62 -11.497 8.717 -8.684 1.00 0.00 C ATOM 872 NE2 HIS A 62 -10.932 7.888 -7.829 1.00 0.00 N ATOM 0 H HIS A 62 -7.894 7.409 -13.192 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.589 9.413 -11.262 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.645 7.058 -11.820 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.438 6.454 -10.701 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -9.259 6.490 -8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.320 9.374 -8.445 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.182 7.750 -6.850 1.00 0.00 H new ATOM 879 N ILE A 63 -5.738 7.880 -10.960 1.00 0.00 N ATOM 880 CA ILE A 63 -4.483 7.828 -10.202 1.00 0.00 C ATOM 881 C ILE A 63 -3.983 9.241 -9.886 1.00 0.00 C ATOM 882 O ILE A 63 -3.482 9.511 -8.794 1.00 0.00 O ATOM 883 CB ILE A 63 -3.384 7.043 -10.964 1.00 0.00 C ATOM 884 CG1 ILE A 63 -3.724 5.549 -11.002 1.00 0.00 C ATOM 885 CG2 ILE A 63 -2.015 7.258 -10.333 1.00 0.00 C ATOM 886 CD1 ILE A 63 -2.820 4.738 -11.906 1.00 0.00 C ATOM 0 H ILE A 63 -5.694 7.425 -11.872 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.692 7.303 -9.270 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.348 7.422 -11.985 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.666 5.147 -9.991 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.755 5.429 -11.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.266 6.695 -10.889 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.765 8.319 -10.359 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.033 6.914 -9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.123 3.691 -11.880 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.896 5.112 -12.927 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.789 4.826 -11.563 1.00 0.00 H new ATOM 898 N GLU A 64 -4.112 10.136 -10.852 1.00 0.00 N ATOM 899 CA GLU A 64 -3.684 11.520 -10.679 1.00 0.00 C ATOM 900 C GLU A 64 -4.591 12.273 -9.692 1.00 0.00 C ATOM 901 O GLU A 64 -4.199 13.302 -9.146 1.00 0.00 O ATOM 902 CB GLU A 64 -3.676 12.240 -12.031 1.00 0.00 C ATOM 903 CG GLU A 64 -2.637 11.702 -13.009 1.00 0.00 C ATOM 904 CD GLU A 64 -1.218 11.802 -12.482 1.00 0.00 C ATOM 905 OE1 GLU A 64 -0.837 12.891 -12.005 1.00 0.00 O ATOM 906 OE2 GLU A 64 -0.488 10.790 -12.550 1.00 0.00 O ATOM 0 H GLU A 64 -4.511 9.930 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.675 11.507 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.664 12.156 -12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.490 13.301 -11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.863 10.659 -13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.710 12.253 -13.947 1.00 0.00 H new ATOM 913 N LYS A 65 -5.806 11.765 -9.482 1.00 0.00 N ATOM 914 CA LYS A 65 -6.772 12.417 -8.595 1.00 0.00 C ATOM 915 C LYS A 65 -6.501 12.183 -7.098 1.00 0.00 C ATOM 916 O LYS A 65 -6.425 13.141 -6.329 1.00 0.00 O ATOM 917 CB LYS A 65 -8.192 11.955 -8.932 1.00 0.00 C ATOM 918 CG LYS A 65 -8.958 12.930 -9.816 1.00 0.00 C ATOM 919 CD LYS A 65 -8.777 12.611 -11.290 1.00 0.00 C ATOM 920 CE LYS A 65 -9.150 13.795 -12.168 1.00 0.00 C ATOM 921 NZ LYS A 65 -8.159 14.901 -12.063 1.00 0.00 N ATOM 0 H LYS A 65 -6.145 10.905 -9.913 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.662 13.487 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.141 10.988 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.746 11.806 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.018 12.895 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.616 13.946 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.741 12.330 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.393 11.752 -11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.221 13.469 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.135 14.163 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.267 15.542 -12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.320 15.428 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.197 14.506 -12.060 1.00 0.00 H new ATOM 935 N GLU A 66 -6.353 10.923 -6.673 1.00 0.00 N ATOM 936 CA GLU A 66 -6.136 10.636 -5.246 1.00 0.00 C ATOM 937 C GLU A 66 -4.662 10.705 -4.851 1.00 0.00 C ATOM 938 O GLU A 66 -4.336 10.521 -3.681 1.00 0.00 O ATOM 939 CB GLU A 66 -6.720 9.277 -4.819 1.00 0.00 C ATOM 940 CG GLU A 66 -7.959 8.861 -5.601 1.00 0.00 C ATOM 941 CD GLU A 66 -8.679 7.687 -4.970 1.00 0.00 C ATOM 942 OE1 GLU A 66 -9.366 7.894 -3.948 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.555 6.560 -5.496 1.00 0.00 O ATOM 0 H GLU A 66 -6.378 10.102 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.672 11.423 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.954 8.511 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.969 9.317 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.642 9.707 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.671 8.601 -6.620 1.00 0.00 H new ATOM 950 N VAL A 67 -3.768 10.936 -5.812 1.00 0.00 N ATOM 951 CA VAL A 67 -2.336 11.023 -5.509 1.00 0.00 C ATOM 952 C VAL A 67 -2.061 12.084 -4.431 1.00 0.00 C ATOM 953 O VAL A 67 -1.183 11.908 -3.586 1.00 0.00 O ATOM 954 CB VAL A 67 -1.494 11.313 -6.782 1.00 0.00 C ATOM 955 CG1 VAL A 67 -1.711 12.730 -7.294 1.00 0.00 C ATOM 956 CG2 VAL A 67 -0.015 11.061 -6.518 1.00 0.00 C ATOM 0 H VAL A 67 -4.004 11.065 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.032 10.050 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.833 10.628 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.104 12.892 -8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.763 12.870 -7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.421 13.444 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.557 11.270 -7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.327 11.712 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.131 10.020 -6.229 1.00 0.00 H new ATOM 966 N ASP A 68 -2.837 13.168 -4.447 1.00 0.00 N ATOM 967 CA ASP A 68 -2.696 14.235 -3.454 1.00 0.00 C ATOM 968 C ASP A 68 -3.570 13.957 -2.232 1.00 0.00 C ATOM 969 O ASP A 68 -3.528 14.692 -1.247 1.00 0.00 O ATOM 970 CB ASP A 68 -3.069 15.596 -4.054 1.00 0.00 C ATOM 971 CG ASP A 68 -2.048 16.101 -5.054 1.00 0.00 C ATOM 972 OD1 ASP A 68 -0.926 15.553 -5.089 1.00 0.00 O ATOM 973 OD2 ASP A 68 -2.370 17.046 -5.804 1.00 0.00 O ATOM 0 H ASP A 68 -3.570 13.331 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.651 14.261 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.040 15.518 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.174 16.325 -3.250 1.00 0.00 H new ATOM 978 N GLN A 69 -4.355 12.889 -2.311 1.00 0.00 N ATOM 979 CA GLN A 69 -5.268 12.506 -1.236 1.00 0.00 C ATOM 980 C GLN A 69 -4.745 11.299 -0.456 1.00 0.00 C ATOM 981 O GLN A 69 -5.514 10.601 0.207 1.00 0.00 O ATOM 982 CB GLN A 69 -6.655 12.186 -1.805 1.00 0.00 C ATOM 983 CG GLN A 69 -7.296 13.343 -2.559 1.00 0.00 C ATOM 984 CD GLN A 69 -7.503 14.571 -1.694 1.00 0.00 C ATOM 985 OE1 GLN A 69 -6.949 15.634 -1.962 1.00 0.00 O ATOM 986 NE2 GLN A 69 -8.305 14.429 -0.646 1.00 0.00 N ATOM 0 H GLN A 69 -4.378 12.265 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.339 13.351 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.573 11.330 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.312 11.890 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.669 13.607 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.257 13.021 -2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.745 13.528 -0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.481 15.221 -0.027 1.00 0.00 H new ATOM 995 N GLY A 70 -3.439 11.063 -0.520 1.00 0.00 N ATOM 996 CA GLY A 70 -2.859 9.936 0.192 1.00 0.00 C ATOM 997 C GLY A 70 -2.489 8.759 -0.698 1.00 0.00 C ATOM 998 O GLY A 70 -2.435 7.631 -0.210 1.00 0.00 O ATOM 0 H GLY A 70 -2.774 11.627 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.966 10.274 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.566 9.596 0.949 1.00 0.00 H new ATOM 1002 N LYS A 71 -2.282 9.037 -2.000 1.00 0.00 N ATOM 1003 CA LYS A 71 -1.856 8.041 -3.011 1.00 0.00 C ATOM 1004 C LYS A 71 -3.042 7.427 -3.750 1.00 0.00 C ATOM 1005 O LYS A 71 -4.084 7.138 -3.168 1.00 0.00 O ATOM 1006 CB LYS A 71 -0.982 6.925 -2.402 1.00 0.00 C ATOM 1007 CG LYS A 71 -0.676 5.760 -3.348 1.00 0.00 C ATOM 1008 CD LYS A 71 0.114 6.200 -4.577 1.00 0.00 C ATOM 1009 CE LYS A 71 1.424 6.851 -4.200 1.00 0.00 C ATOM 1010 NZ LYS A 71 1.434 8.312 -4.493 1.00 0.00 N ATOM 0 H LYS A 71 -2.407 9.972 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.251 8.592 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.040 7.361 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.482 6.534 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.112 4.998 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.611 5.299 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.307 5.336 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.484 6.899 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.613 6.694 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.237 6.368 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.413 8.662 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.020 8.481 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.876 8.814 -3.773 1.00 0.00 H new ATOM 1024 N SER A 72 -2.869 7.259 -5.054 1.00 0.00 N ATOM 1025 CA SER A 72 -3.884 6.652 -5.902 1.00 0.00 C ATOM 1026 C SER A 72 -3.274 5.574 -6.782 1.00 0.00 C ATOM 1027 O SER A 72 -3.981 4.723 -7.300 1.00 0.00 O ATOM 1028 CB SER A 72 -4.538 7.703 -6.774 1.00 0.00 C ATOM 1029 OG SER A 72 -5.806 7.271 -7.234 1.00 0.00 O ATOM 0 H SER A 72 -2.024 7.539 -5.552 1.00 0.00 H new ATOM 0 HA SER A 72 -4.636 6.199 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.649 8.629 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.895 7.924 -7.626 1.00 0.00 H new ATOM 0 HG SER A 72 -6.143 7.902 -7.904 1.00 0.00 H new ATOM 1035 N GLY A 73 -1.964 5.631 -6.980 1.00 0.00 N ATOM 1036 CA GLY A 73 -1.315 4.629 -7.800 1.00 0.00 C ATOM 1037 C GLY A 73 -1.492 3.240 -7.229 1.00 0.00 C ATOM 1038 O GLY A 73 -2.200 2.413 -7.793 1.00 0.00 O ATOM 0 H GLY A 73 -1.346 6.344 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.725 4.663 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.252 4.857 -7.880 1.00 0.00 H new ATOM 1042 N THR A 74 -0.879 2.991 -6.082 1.00 0.00 N ATOM 1043 CA THR A 74 -0.984 1.698 -5.438 1.00 0.00 C ATOM 1044 C THR A 74 -2.204 1.625 -4.519 1.00 0.00 C ATOM 1045 O THR A 74 -2.842 0.575 -4.407 1.00 0.00 O ATOM 1046 CB THR A 74 0.289 1.363 -4.637 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.447 1.634 -5.438 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.304 -0.101 -4.221 1.00 0.00 C ATOM 0 H THR A 74 -0.305 3.669 -5.581 1.00 0.00 H new ATOM 0 HA THR A 74 -1.102 0.961 -6.232 1.00 0.00 H new ATOM 0 HB THR A 74 0.299 1.982 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.215 1.143 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.213 -0.310 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.565 -0.311 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.275 -0.732 -5.109 1.00 0.00 H new ATOM 1056 N ARG A 75 -2.536 2.747 -3.870 1.00 0.00 N ATOM 1057 CA ARG A 75 -3.659 2.779 -2.930 1.00 0.00 C ATOM 1058 C ARG A 75 -4.973 2.431 -3.618 1.00 0.00 C ATOM 1059 O ARG A 75 -5.730 1.603 -3.122 1.00 0.00 O ATOM 1060 CB ARG A 75 -3.792 4.156 -2.271 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.831 4.181 -1.162 1.00 0.00 C ATOM 1062 CD ARG A 75 -4.938 5.547 -0.514 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.937 5.568 0.552 1.00 0.00 N ATOM 1064 CZ ARG A 75 -6.244 6.656 1.247 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -7.163 6.599 2.201 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -5.632 7.802 0.985 1.00 0.00 N ATOM 0 H ARG A 75 -2.048 3.636 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.448 2.031 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.826 4.454 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.059 4.892 -3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.801 3.895 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.572 3.440 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.968 5.833 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.198 6.288 -1.270 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.425 4.700 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.636 5.718 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.397 7.436 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.926 7.847 0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.867 8.639 1.518 1.00 0.00 H new ATOM 1080 N GLU A 76 -5.231 3.055 -4.765 1.00 0.00 N ATOM 1081 CA GLU A 76 -6.459 2.804 -5.514 1.00 0.00 C ATOM 1082 C GLU A 76 -6.531 1.350 -5.970 1.00 0.00 C ATOM 1083 O GLU A 76 -7.594 0.736 -5.941 1.00 0.00 O ATOM 1084 CB GLU A 76 -6.552 3.744 -6.717 1.00 0.00 C ATOM 1085 CG GLU A 76 -7.806 3.557 -7.553 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.822 4.431 -8.791 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -6.862 5.207 -8.986 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.794 4.335 -9.569 1.00 0.00 O ATOM 0 H GLU A 76 -4.607 3.737 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.305 2.996 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.514 4.774 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.679 3.592 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.886 2.512 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.681 3.783 -6.943 1.00 0.00 H new ATOM 1095 N LEU A 77 -5.396 0.813 -6.410 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.329 -0.573 -6.867 1.00 0.00 C ATOM 1097 C LEU A 77 -5.680 -1.538 -5.732 1.00 0.00 C ATOM 1098 O LEU A 77 -6.476 -2.460 -5.913 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.923 -0.875 -7.403 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.708 -2.300 -7.928 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.623 -2.580 -9.111 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.253 -2.507 -8.317 1.00 0.00 C ATOM 0 H LEU A 77 -4.510 1.316 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.056 -0.711 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.701 -0.173 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.202 -0.687 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.956 -3.002 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.455 -3.596 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.662 -2.472 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.408 -1.873 -9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.116 -3.523 -8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.980 -1.796 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.618 -2.350 -7.445 1.00 0.00 H new ATOM 1114 N LEU A 78 -5.083 -1.318 -4.560 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.333 -2.168 -3.398 1.00 0.00 C ATOM 1116 C LEU A 78 -6.746 -1.947 -2.832 1.00 0.00 C ATOM 1117 O LEU A 78 -7.434 -2.893 -2.459 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.266 -1.904 -2.317 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.824 -2.211 -2.741 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.852 -1.872 -1.625 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.682 -3.669 -3.148 1.00 0.00 C ATOM 0 H LEU A 78 -4.423 -0.558 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.269 -3.209 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.326 -0.858 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.505 -2.502 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.585 -1.590 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.835 -2.097 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.930 -0.812 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.092 -2.463 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.652 -3.865 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.945 -4.309 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.347 -3.879 -3.985 1.00 0.00 H new ATOM 1133 N TRP A 79 -7.176 -0.688 -2.808 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.494 -0.305 -2.282 1.00 0.00 C ATOM 1135 C TRP A 79 -9.628 -0.604 -3.273 1.00 0.00 C ATOM 1136 O TRP A 79 -10.803 -0.456 -2.942 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.494 1.186 -1.924 1.00 0.00 C ATOM 1138 CG TRP A 79 -9.533 1.578 -0.913 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -10.731 2.183 -1.168 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -9.461 1.407 0.508 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -11.412 2.389 0.009 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -10.655 1.922 1.049 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -8.507 0.864 1.372 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -10.916 1.911 2.419 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -8.769 0.855 2.732 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.964 1.374 3.242 1.00 0.00 C ATOM 0 H TRP A 79 -6.625 0.099 -3.151 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.677 -0.904 -1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.510 1.456 -1.540 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.651 1.766 -2.833 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.090 2.459 -2.149 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.333 2.820 0.093 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.583 0.459 0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.837 2.312 2.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.038 0.440 3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.139 1.350 4.308 1.00 0.00 H new ATOM 1157 N SER A 80 -9.270 -1.017 -4.484 1.00 0.00 N ATOM 1158 CA SER A 80 -10.252 -1.297 -5.535 1.00 0.00 C ATOM 1159 C SER A 80 -11.263 -2.373 -5.130 1.00 0.00 C ATOM 1160 O SER A 80 -12.451 -2.243 -5.425 1.00 0.00 O ATOM 1161 CB SER A 80 -9.539 -1.713 -6.826 1.00 0.00 C ATOM 1162 OG SER A 80 -10.469 -1.981 -7.864 1.00 0.00 O ATOM 0 H SER A 80 -8.302 -1.167 -4.767 1.00 0.00 H new ATOM 0 HA SER A 80 -10.811 -0.376 -5.699 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.858 -0.921 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.933 -2.599 -6.640 1.00 0.00 H new ATOM 0 HG SER A 80 -9.987 -2.243 -8.676 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.803 -3.442 -4.486 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.712 -4.508 -4.067 1.00 0.00 C ATOM 1170 C TRP A 81 -12.342 -4.192 -2.706 1.00 0.00 C ATOM 1171 O TRP A 81 -13.417 -3.599 -2.636 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.980 -5.852 -4.030 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.926 -6.534 -5.364 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.845 -6.634 -6.191 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.004 -7.203 -6.027 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.185 -7.328 -7.327 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.505 -7.689 -7.250 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.344 -7.442 -5.704 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.298 -8.397 -8.149 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.130 -8.144 -6.596 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.606 -8.616 -7.809 1.00 0.00 C ATOM 0 H TRP A 81 -9.823 -3.594 -4.245 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.517 -4.575 -4.798 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.964 -5.695 -3.669 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.475 -6.508 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.866 -6.227 -5.983 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.557 -7.540 -8.102 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.757 -7.083 -4.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.895 -8.761 -9.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.166 -8.333 -6.356 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.246 -9.162 -8.487 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.681 -4.604 -1.628 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.178 -4.332 -0.280 1.00 0.00 C ATOM 1194 C ALA A 82 -11.321 -3.255 0.377 1.00 0.00 C ATOM 1195 O ALA A 82 -11.638 -2.069 0.323 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.190 -5.608 0.553 1.00 0.00 C ATOM 0 H ALA A 82 -10.805 -5.125 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.203 -3.968 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.563 -5.386 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.838 -6.346 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.178 -6.006 0.623 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.234 -3.687 1.003 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.293 -2.769 1.628 1.00 0.00 C ATOM 1204 C GLN A 83 -7.978 -2.854 0.870 1.00 0.00 C ATOM 1205 O GLN A 83 -7.449 -1.852 0.396 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.101 -3.103 3.111 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.375 -2.958 3.928 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.152 -3.195 5.407 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -9.309 -2.548 6.027 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -10.903 -4.124 5.983 1.00 0.00 N ATOM 0 H GLN A 83 -9.982 -4.672 1.091 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.680 -1.751 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.733 -4.125 3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.334 -2.450 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.783 -1.958 3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.120 -3.663 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.591 -4.638 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.793 -4.325 6.977 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.445 -4.068 0.784 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.236 -4.316 0.015 1.00 0.00 C ATOM 1221 C LYS A 84 -6.457 -5.536 -0.881 1.00 0.00 C ATOM 1222 O LYS A 84 -6.108 -5.524 -2.062 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.019 -4.514 0.936 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.816 -5.131 0.233 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.547 -5.061 1.067 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.711 -5.748 2.407 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.232 -7.136 2.265 1.00 0.00 N ATOM 0 H LYS A 84 -7.833 -4.895 1.238 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.023 -3.447 -0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.730 -3.550 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.307 -5.151 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.033 -6.173 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.652 -4.617 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.727 -5.525 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.274 -4.018 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.750 -5.773 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.391 -5.168 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.709 -7.770 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.242 -7.154 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.109 -7.454 1.283 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.065 -6.580 -0.293 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.401 -7.833 -0.994 1.00 0.00 C ATOM 1243 C ASN A 85 -6.221 -8.374 -1.803 1.00 0.00 C ATOM 1244 O ASN A 85 -6.402 -9.018 -2.838 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.613 -7.627 -1.904 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.317 -8.931 -2.238 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.438 -9.822 -1.395 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.781 -9.052 -3.474 1.00 0.00 N ATOM 0 H ASN A 85 -7.340 -6.579 0.689 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.644 -8.574 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.317 -6.951 -1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.293 -7.144 -2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.259 -9.907 -3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.660 -8.290 -4.141 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.017 -8.125 -1.320 1.00 0.00 N ATOM 1256 CA LYS A 86 -3.810 -8.569 -1.998 1.00 0.00 C ATOM 1257 C LYS A 86 -2.808 -9.079 -0.983 1.00 0.00 C ATOM 1258 O LYS A 86 -2.988 -8.897 0.220 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.194 -7.418 -2.805 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.186 -7.652 -4.309 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.548 -7.380 -4.928 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.759 -8.194 -6.192 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.703 -7.932 -7.208 1.00 0.00 N ATOM 0 H LYS A 86 -4.848 -7.614 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.071 -9.375 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.746 -6.503 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.170 -7.258 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.440 -7.007 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.891 -8.681 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.330 -7.617 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.638 -6.319 -5.159 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.767 -9.255 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.736 -7.959 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.032 -8.253 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.501 -6.912 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.837 -8.448 -6.950 1.00 0.00 H new ATOM 1277 N THR A 87 -1.749 -9.713 -1.456 1.00 0.00 N ATOM 1278 CA THR A 87 -0.730 -10.229 -0.564 1.00 0.00 C ATOM 1279 C THR A 87 0.649 -9.737 -0.977 1.00 0.00 C ATOM 1280 O THR A 87 0.855 -9.317 -2.122 1.00 0.00 O ATOM 1281 CB THR A 87 -0.730 -11.769 -0.517 1.00 0.00 C ATOM 1282 OG1 THR A 87 -0.444 -12.304 -1.817 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.072 -12.299 -0.032 1.00 0.00 C ATOM 0 H THR A 87 -1.574 -9.881 -2.447 1.00 0.00 H new ATOM 0 HA THR A 87 -0.967 -9.857 0.433 1.00 0.00 H new ATOM 0 HB THR A 87 0.043 -12.085 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.445 -13.283 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.046 -13.388 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.273 -11.919 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.860 -11.970 -0.710 1.00 0.00 H new ATOM 1291 N ILE A 88 1.582 -9.791 -0.038 1.00 0.00 N ATOM 1292 CA ILE A 88 2.953 -9.360 -0.276 1.00 0.00 C ATOM 1293 C ILE A 88 3.617 -10.148 -1.404 1.00 0.00 C ATOM 1294 O ILE A 88 4.352 -9.576 -2.203 1.00 0.00 O ATOM 1295 CB ILE A 88 3.784 -9.450 1.024 1.00 0.00 C ATOM 1296 CG1 ILE A 88 3.558 -8.200 1.870 1.00 0.00 C ATOM 1297 CG2 ILE A 88 5.265 -9.668 0.750 1.00 0.00 C ATOM 1298 CD1 ILE A 88 3.944 -6.922 1.165 1.00 0.00 C ATOM 0 H ILE A 88 1.412 -10.133 0.908 1.00 0.00 H new ATOM 0 HA ILE A 88 2.916 -8.318 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 88 3.442 -10.323 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.507 -8.147 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.133 -8.285 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.805 -9.724 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.400 -10.599 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.652 -8.837 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.758 -6.073 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.002 -6.955 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.351 -6.814 0.257 1.00 0.00 H new ATOM 1310 N GLY A 89 3.348 -11.451 -1.480 1.00 0.00 N ATOM 1311 CA GLY A 89 3.946 -12.270 -2.527 1.00 0.00 C ATOM 1312 C GLY A 89 3.575 -11.797 -3.923 1.00 0.00 C ATOM 1313 O GLY A 89 4.411 -11.800 -4.829 1.00 0.00 O ATOM 0 H GLY A 89 2.731 -11.952 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.031 -12.256 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.626 -13.304 -2.401 1.00 0.00 H new ATOM 1317 N ASP A 90 2.316 -11.400 -4.099 1.00 0.00 N ATOM 1318 CA ASP A 90 1.833 -10.909 -5.390 1.00 0.00 C ATOM 1319 C ASP A 90 2.508 -9.585 -5.764 1.00 0.00 C ATOM 1320 O ASP A 90 2.922 -9.389 -6.906 1.00 0.00 O ATOM 1321 CB ASP A 90 0.312 -10.724 -5.351 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.265 -10.361 -6.705 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.106 -11.159 -7.653 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -0.889 -9.282 -6.816 1.00 0.00 O ATOM 0 H ASP A 90 1.610 -11.409 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 90 2.086 -11.650 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.153 -11.644 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.063 -9.943 -4.633 1.00 0.00 H new ATOM 1329 N LEU A 91 2.613 -8.686 -4.787 1.00 0.00 N ATOM 1330 CA LEU A 91 3.228 -7.373 -4.998 1.00 0.00 C ATOM 1331 C LEU A 91 4.752 -7.479 -5.098 1.00 0.00 C ATOM 1332 O LEU A 91 5.386 -6.686 -5.788 1.00 0.00 O ATOM 1333 CB LEU A 91 2.834 -6.409 -3.864 1.00 0.00 C ATOM 1334 CG LEU A 91 2.757 -4.912 -4.243 1.00 0.00 C ATOM 1335 CD1 LEU A 91 4.146 -4.310 -4.386 1.00 0.00 C ATOM 1336 CD2 LEU A 91 1.960 -4.723 -5.527 1.00 0.00 C ATOM 0 H LEU A 91 2.279 -8.842 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 91 2.857 -6.979 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.863 -6.715 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.553 -6.521 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 91 2.244 -4.389 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.060 -3.257 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.682 -4.403 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.693 -4.839 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.918 -3.663 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.443 -5.268 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.948 -5.103 -5.387 1.00 0.00 H new ATOM 1348 N LEU A 92 5.325 -8.476 -4.431 1.00 0.00 N ATOM 1349 CA LEU A 92 6.775 -8.675 -4.416 1.00 0.00 C ATOM 1350 C LEU A 92 7.337 -8.852 -5.825 1.00 0.00 C ATOM 1351 O LEU A 92 8.394 -8.310 -6.143 1.00 0.00 O ATOM 1352 CB LEU A 92 7.130 -9.892 -3.556 1.00 0.00 C ATOM 1353 CG LEU A 92 8.625 -10.213 -3.454 1.00 0.00 C ATOM 1354 CD1 LEU A 92 9.385 -9.056 -2.823 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.842 -11.491 -2.660 1.00 0.00 C ATOM 0 H LEU A 92 4.804 -9.165 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 92 7.227 -7.781 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.741 -9.731 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.616 -10.764 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 92 9.011 -10.363 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.444 -9.307 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.259 -8.162 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.997 -8.869 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.909 -11.704 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.437 -11.368 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.336 -12.318 -3.157 1.00 0.00 H new ATOM 1367 N GLN A 93 6.630 -9.601 -6.665 1.00 0.00 N ATOM 1368 CA GLN A 93 7.075 -9.833 -8.038 1.00 0.00 C ATOM 1369 C GLN A 93 7.170 -8.512 -8.804 1.00 0.00 C ATOM 1370 O GLN A 93 8.130 -8.272 -9.537 1.00 0.00 O ATOM 1371 CB GLN A 93 6.097 -10.779 -8.739 1.00 0.00 C ATOM 1372 CG GLN A 93 6.135 -12.197 -8.191 1.00 0.00 C ATOM 1373 CD GLN A 93 5.017 -13.061 -8.733 1.00 0.00 C ATOM 1374 OE1 GLN A 93 5.103 -13.588 -9.841 1.00 0.00 O ATOM 1375 NE2 GLN A 93 3.953 -13.205 -7.952 1.00 0.00 N ATOM 0 H GLN A 93 5.750 -10.057 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 93 8.066 -10.287 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.086 -10.385 -8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.325 -10.802 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.094 -12.653 -8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.069 -12.164 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.925 -12.749 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.164 -13.771 -8.264 1.00 0.00 H new ATOM 1384 N VAL A 94 6.165 -7.662 -8.623 1.00 0.00 N ATOM 1385 CA VAL A 94 6.129 -6.348 -9.259 1.00 0.00 C ATOM 1386 C VAL A 94 7.175 -5.425 -8.627 1.00 0.00 C ATOM 1387 O VAL A 94 7.871 -4.673 -9.314 1.00 0.00 O ATOM 1388 CB VAL A 94 4.726 -5.709 -9.133 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.715 -4.290 -9.682 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.682 -6.566 -9.835 1.00 0.00 C ATOM 0 H VAL A 94 5.356 -7.862 -8.035 1.00 0.00 H new ATOM 0 HA VAL A 94 6.356 -6.480 -10.317 1.00 0.00 H new ATOM 0 HB VAL A 94 4.475 -5.658 -8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.715 -3.868 -9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.426 -3.679 -9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.996 -4.305 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.702 -6.100 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.935 -6.656 -10.891 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.660 -7.557 -9.382 1.00 0.00 H new ATOM 1400 N LEU A 95 7.275 -5.512 -7.303 1.00 0.00 N ATOM 1401 CA LEU A 95 8.203 -4.702 -6.515 1.00 0.00 C ATOM 1402 C LEU A 95 9.658 -4.953 -6.906 1.00 0.00 C ATOM 1403 O LEU A 95 10.452 -4.014 -6.982 1.00 0.00 O ATOM 1404 CB LEU A 95 8.009 -4.996 -5.027 1.00 0.00 C ATOM 1405 CG LEU A 95 8.893 -4.187 -4.080 1.00 0.00 C ATOM 1406 CD1 LEU A 95 8.587 -2.702 -4.213 1.00 0.00 C ATOM 1407 CD2 LEU A 95 8.699 -4.654 -2.646 1.00 0.00 C ATOM 0 H LEU A 95 6.711 -6.151 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 95 7.983 -3.654 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.966 -4.811 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.197 -6.056 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 95 9.937 -4.347 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.224 -2.137 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.776 -2.382 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.541 -2.522 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.336 -4.068 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.656 -4.521 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.966 -5.708 -2.567 1.00 0.00 H new ATOM 1419 N GLN A 96 10.004 -6.217 -7.143 1.00 0.00 N ATOM 1420 CA GLN A 96 11.371 -6.578 -7.521 1.00 0.00 C ATOM 1421 C GLN A 96 11.772 -5.902 -8.829 1.00 0.00 C ATOM 1422 O GLN A 96 12.910 -5.459 -8.977 1.00 0.00 O ATOM 1423 CB GLN A 96 11.512 -8.098 -7.659 1.00 0.00 C ATOM 1424 CG GLN A 96 11.449 -8.839 -6.332 1.00 0.00 C ATOM 1425 CD GLN A 96 11.388 -10.345 -6.508 1.00 0.00 C ATOM 1426 OE1 GLN A 96 10.866 -10.848 -7.502 1.00 0.00 O ATOM 1427 NE2 GLN A 96 11.923 -11.076 -5.540 1.00 0.00 N ATOM 0 H GLN A 96 9.361 -7.006 -7.081 1.00 0.00 H new ATOM 0 HA GLN A 96 12.036 -6.231 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.722 -8.470 -8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.460 -8.324 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 96 12.323 -8.582 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.573 -8.506 -5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.347 -10.620 -4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.911 -12.094 -5.604 1.00 0.00 H new ATOM 1436 N GLU A 97 10.837 -5.836 -9.774 1.00 0.00 N ATOM 1437 CA GLU A 97 11.098 -5.199 -11.059 1.00 0.00 C ATOM 1438 C GLU A 97 11.366 -3.702 -10.873 1.00 0.00 C ATOM 1439 O GLU A 97 12.270 -3.144 -11.493 1.00 0.00 O ATOM 1440 CB GLU A 97 9.914 -5.415 -12.014 1.00 0.00 C ATOM 1441 CG GLU A 97 10.141 -4.858 -13.413 1.00 0.00 C ATOM 1442 CD GLU A 97 11.259 -5.561 -14.162 1.00 0.00 C ATOM 1443 OE1 GLU A 97 11.605 -6.702 -13.788 1.00 0.00 O ATOM 1444 OE2 GLU A 97 11.787 -4.970 -15.127 1.00 0.00 O ATOM 0 H GLU A 97 9.895 -6.215 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 97 11.986 -5.657 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.709 -6.483 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.026 -4.949 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.218 -4.945 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.373 -3.795 -13.341 1.00 0.00 H new ATOM 1451 N MET A 98 10.558 -3.057 -10.027 1.00 0.00 N ATOM 1452 CA MET A 98 10.711 -1.628 -9.752 1.00 0.00 C ATOM 1453 C MET A 98 11.992 -1.351 -8.958 1.00 0.00 C ATOM 1454 O MET A 98 12.693 -0.372 -9.216 1.00 0.00 O ATOM 1455 CB MET A 98 9.478 -1.087 -9.018 1.00 0.00 C ATOM 1456 CG MET A 98 9.472 0.430 -8.873 1.00 0.00 C ATOM 1457 SD MET A 98 9.621 1.276 -10.457 1.00 0.00 S ATOM 1458 CE MET A 98 8.035 0.899 -11.194 1.00 0.00 C ATOM 0 H MET A 98 9.792 -3.502 -9.522 1.00 0.00 H new ATOM 0 HA MET A 98 10.797 -1.106 -10.705 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.581 -1.396 -9.555 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.428 -1.539 -8.027 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.549 0.741 -8.384 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.294 0.733 -8.224 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.961 1.385 -12.167 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.939 -0.180 -11.319 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.237 1.262 -10.546 1.00 0.00 H new ATOM 1468 N GLY A 99 12.295 -2.221 -7.995 1.00 0.00 N ATOM 1469 CA GLY A 99 13.504 -2.064 -7.204 1.00 0.00 C ATOM 1470 C GLY A 99 13.421 -0.997 -6.120 1.00 0.00 C ATOM 1471 O GLY A 99 14.378 -0.249 -5.918 1.00 0.00 O ATOM 0 H GLY A 99 11.725 -3.030 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.743 -3.019 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.330 -1.820 -7.872 1.00 0.00 H new ATOM 1475 N HIS A 100 12.286 -0.904 -5.431 1.00 0.00 N ATOM 1476 CA HIS A 100 12.136 0.084 -4.359 1.00 0.00 C ATOM 1477 C HIS A 100 12.786 -0.430 -3.070 1.00 0.00 C ATOM 1478 O HIS A 100 12.321 -1.397 -2.466 1.00 0.00 O ATOM 1479 CB HIS A 100 10.658 0.418 -4.131 1.00 0.00 C ATOM 1480 CG HIS A 100 10.439 1.564 -3.192 1.00 0.00 C ATOM 1481 ND1 HIS A 100 11.265 2.663 -3.119 1.00 0.00 N ATOM 1482 CD2 HIS A 100 9.452 1.778 -2.288 1.00 0.00 C ATOM 1483 CE1 HIS A 100 10.768 3.490 -2.192 1.00 0.00 C ATOM 1484 NE2 HIS A 100 9.666 3.000 -1.659 1.00 0.00 N ATOM 0 H HIS A 100 11.466 -1.490 -5.590 1.00 0.00 H new ATOM 0 HA HIS A 100 12.643 1.001 -4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.195 0.652 -5.090 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.151 -0.464 -3.739 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.107 2.819 -3.673 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.630 1.107 -2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 100 11.212 4.435 -1.916 1.00 0.00 H new ATOM 1491 N ARG A 101 13.864 0.238 -2.666 1.00 0.00 N ATOM 1492 CA ARG A 101 14.636 -0.138 -1.479 1.00 0.00 C ATOM 1493 C ARG A 101 13.860 -0.023 -0.165 1.00 0.00 C ATOM 1494 O ARG A 101 13.962 -0.905 0.689 1.00 0.00 O ATOM 1495 CB ARG A 101 15.883 0.734 -1.392 1.00 0.00 C ATOM 1496 CG ARG A 101 16.932 0.420 -2.450 1.00 0.00 C ATOM 1497 CD ARG A 101 17.641 -0.895 -2.159 1.00 0.00 C ATOM 1498 NE ARG A 101 18.368 -0.848 -0.892 1.00 0.00 N ATOM 1499 CZ ARG A 101 18.977 -1.897 -0.346 1.00 0.00 C ATOM 1500 NH1 ARG A 101 19.586 -1.775 0.826 1.00 0.00 N ATOM 1501 NH2 ARG A 101 18.984 -3.066 -0.973 1.00 0.00 N ATOM 0 H ARG A 101 14.229 1.057 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 101 14.888 -1.191 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.590 1.780 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.330 0.614 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.458 0.370 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.663 1.228 -2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.911 -1.704 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.335 -1.121 -2.969 1.00 0.00 H new ATOM 0 HE ARG A 101 18.411 0.043 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.587 -0.877 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.053 -2.580 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 101 18.521 -3.163 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.452 -3.868 -0.551 1.00 0.00 H new ATOM 1515 N ARG A 102 13.091 1.052 0.006 1.00 0.00 N ATOM 1516 CA ARG A 102 12.338 1.256 1.247 1.00 0.00 C ATOM 1517 C ARG A 102 11.320 0.143 1.460 1.00 0.00 C ATOM 1518 O ARG A 102 11.121 -0.327 2.585 1.00 0.00 O ATOM 1519 CB ARG A 102 11.632 2.613 1.258 1.00 0.00 C ATOM 1520 CG ARG A 102 10.881 2.883 2.553 1.00 0.00 C ATOM 1521 CD ARG A 102 11.832 2.956 3.742 1.00 0.00 C ATOM 1522 NE ARG A 102 11.133 3.231 4.994 1.00 0.00 N ATOM 1523 CZ ARG A 102 11.701 3.134 6.192 1.00 0.00 C ATOM 1524 NH1 ARG A 102 10.996 3.388 7.288 1.00 0.00 N ATOM 1525 NH2 ARG A 102 12.976 2.777 6.294 1.00 0.00 N ATOM 0 H ARG A 102 12.972 1.789 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 102 13.058 1.236 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.369 3.401 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.933 2.659 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.330 3.820 2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.146 2.095 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.373 2.014 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.574 3.735 3.564 1.00 0.00 H new ATOM 0 HE ARG A 102 10.154 3.513 4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.015 3.658 7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.435 3.313 8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.519 2.578 5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.413 2.702 7.213 1.00 0.00 H new ATOM 1539 N ALA A 103 10.679 -0.275 0.375 1.00 0.00 N ATOM 1540 CA ALA A 103 9.681 -1.336 0.439 1.00 0.00 C ATOM 1541 C ALA A 103 10.304 -2.624 0.957 1.00 0.00 C ATOM 1542 O ALA A 103 9.683 -3.354 1.718 1.00 0.00 O ATOM 1543 CB ALA A 103 9.052 -1.563 -0.921 1.00 0.00 C ATOM 0 H ALA A 103 10.832 0.104 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 103 8.898 -1.026 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.310 -2.359 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.569 -0.645 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.824 -1.849 -1.636 1.00 0.00 H new ATOM 1549 N ILE A 104 11.539 -2.888 0.535 1.00 0.00 N ATOM 1550 CA ILE A 104 12.267 -4.082 0.957 1.00 0.00 C ATOM 1551 C ILE A 104 12.466 -4.079 2.479 1.00 0.00 C ATOM 1552 O ILE A 104 12.298 -5.104 3.140 1.00 0.00 O ATOM 1553 CB ILE A 104 13.640 -4.176 0.247 1.00 0.00 C ATOM 1554 CG1 ILE A 104 13.443 -4.432 -1.250 1.00 0.00 C ATOM 1555 CG2 ILE A 104 14.500 -5.277 0.858 1.00 0.00 C ATOM 1556 CD1 ILE A 104 14.709 -4.277 -2.069 1.00 0.00 C ATOM 0 H ILE A 104 12.059 -2.286 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 104 11.673 -4.952 0.677 1.00 0.00 H new ATOM 0 HB ILE A 104 14.157 -3.226 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 104 13.053 -5.440 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.689 -3.743 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 104 15.458 -5.320 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 104 14.668 -5.064 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 104 13.990 -6.235 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.490 -4.474 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.089 -3.261 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.459 -4.984 -1.716 1.00 0.00 H new ATOM 1568 N HIS A 105 12.828 -2.920 3.023 1.00 0.00 N ATOM 1569 CA HIS A 105 13.043 -2.781 4.462 1.00 0.00 C ATOM 1570 C HIS A 105 11.749 -2.996 5.256 1.00 0.00 C ATOM 1571 O HIS A 105 11.766 -3.604 6.323 1.00 0.00 O ATOM 1572 CB HIS A 105 13.624 -1.401 4.785 1.00 0.00 C ATOM 1573 CG HIS A 105 15.063 -1.247 4.393 1.00 0.00 C ATOM 1574 ND1 HIS A 105 16.113 -1.808 5.088 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.622 -0.577 3.352 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.248 -1.467 4.465 1.00 0.00 C ATOM 1577 NE2 HIS A 105 17.006 -0.721 3.404 1.00 0.00 N ATOM 0 H HIS A 105 12.979 -2.063 2.490 1.00 0.00 H new ATOM 0 HA HIS A 105 13.753 -3.553 4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.034 -0.640 4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.526 -1.216 5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.079 -0.021 2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.234 -1.764 4.789 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.691 -0.331 2.756 1.00 0.00 H new ATOM 1584 N LEU A 106 10.631 -2.489 4.739 1.00 0.00 N ATOM 1585 CA LEU A 106 9.342 -2.629 5.422 1.00 0.00 C ATOM 1586 C LEU A 106 8.660 -3.977 5.152 1.00 0.00 C ATOM 1587 O LEU A 106 7.935 -4.489 6.008 1.00 0.00 O ATOM 1588 CB LEU A 106 8.409 -1.486 5.014 1.00 0.00 C ATOM 1589 CG LEU A 106 7.838 -0.645 6.166 1.00 0.00 C ATOM 1590 CD1 LEU A 106 7.608 -1.487 7.412 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.757 0.527 6.476 1.00 0.00 C ATOM 0 H LEU A 106 10.589 -1.981 3.856 1.00 0.00 H new ATOM 0 HA LEU A 106 9.547 -2.586 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.951 -0.823 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.577 -1.906 4.449 1.00 0.00 H new ATOM 0 HG LEU A 106 6.871 -0.257 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.204 -0.859 8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.902 -2.286 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.554 -1.920 7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.337 1.112 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.739 0.153 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.854 1.157 5.592 1.00 0.00 H new ATOM 1603 N ILE A 107 8.897 -4.550 3.973 1.00 0.00 N ATOM 1604 CA ILE A 107 8.281 -5.825 3.585 1.00 0.00 C ATOM 1605 C ILE A 107 8.701 -6.977 4.505 1.00 0.00 C ATOM 1606 O ILE A 107 7.993 -7.980 4.614 1.00 0.00 O ATOM 1607 CB ILE A 107 8.595 -6.175 2.105 1.00 0.00 C ATOM 1608 CG1 ILE A 107 7.594 -7.188 1.558 1.00 0.00 C ATOM 1609 CG2 ILE A 107 10.011 -6.713 1.951 1.00 0.00 C ATOM 1610 CD1 ILE A 107 7.633 -7.304 0.049 1.00 0.00 C ATOM 0 H ILE A 107 9.514 -4.152 3.265 1.00 0.00 H new ATOM 0 HA ILE A 107 7.204 -5.695 3.692 1.00 0.00 H new ATOM 0 HB ILE A 107 8.512 -5.253 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.797 -8.165 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.589 -6.902 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.199 -6.948 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.725 -5.961 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.125 -7.615 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.899 -8.040 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.401 -6.337 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.628 -7.619 -0.266 1.00 0.00 H new ATOM 1622 N THR A 108 9.842 -6.827 5.175 1.00 0.00 N ATOM 1623 CA THR A 108 10.340 -7.858 6.082 1.00 0.00 C ATOM 1624 C THR A 108 9.462 -7.992 7.332 1.00 0.00 C ATOM 1625 O THR A 108 9.663 -8.898 8.143 1.00 0.00 O ATOM 1626 CB THR A 108 11.806 -7.592 6.500 1.00 0.00 C ATOM 1627 OG1 THR A 108 12.376 -8.777 7.069 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.902 -6.452 7.506 1.00 0.00 C ATOM 0 H THR A 108 10.438 -6.002 5.107 1.00 0.00 H new ATOM 0 HA THR A 108 10.300 -8.797 5.530 1.00 0.00 H new ATOM 0 HB THR A 108 12.359 -7.307 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.713 -9.216 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.946 -6.293 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.499 -5.541 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.330 -6.705 8.399 1.00 0.00 H new ATOM 1636 N ASN A 109 8.488 -7.092 7.486 1.00 0.00 N ATOM 1637 CA ASN A 109 7.588 -7.133 8.639 1.00 0.00 C ATOM 1638 C ASN A 109 6.365 -8.008 8.363 1.00 0.00 C ATOM 1639 O ASN A 109 5.461 -8.110 9.194 1.00 0.00 O ATOM 1640 CB ASN A 109 7.150 -5.718 9.026 1.00 0.00 C ATOM 1641 CG ASN A 109 8.257 -4.948 9.721 1.00 0.00 C ATOM 1642 OD1 ASN A 109 8.505 -5.134 10.910 1.00 0.00 O ATOM 1643 ND2 ASN A 109 8.934 -4.086 8.977 1.00 0.00 N ATOM 0 H ASN A 109 8.304 -6.332 6.832 1.00 0.00 H new ATOM 0 HA ASN A 109 8.136 -7.575 9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.840 -5.178 8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.281 -5.775 9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.695 -3.545 9.388 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.694 -3.963 7.993 1.00 0.00 H new ATOM 1650 N TYR A 110 6.338 -8.630 7.189 1.00 0.00 N ATOM 1651 CA TYR A 110 5.237 -9.511 6.809 1.00 0.00 C ATOM 1652 C TYR A 110 5.593 -10.963 7.134 1.00 0.00 C ATOM 1653 O TYR A 110 6.581 -11.494 6.628 1.00 0.00 O ATOM 1654 CB TYR A 110 4.930 -9.351 5.316 1.00 0.00 C ATOM 1655 CG TYR A 110 3.936 -10.354 4.770 1.00 0.00 C ATOM 1656 CD1 TYR A 110 2.569 -10.211 4.989 1.00 0.00 C ATOM 1657 CD2 TYR A 110 4.370 -11.447 4.029 1.00 0.00 C ATOM 1658 CE1 TYR A 110 1.671 -11.130 4.485 1.00 0.00 C ATOM 1659 CE2 TYR A 110 3.475 -12.367 3.523 1.00 0.00 C ATOM 1660 CZ TYR A 110 2.127 -12.204 3.752 1.00 0.00 C ATOM 1661 OH TYR A 110 1.233 -13.120 3.252 1.00 0.00 O ATOM 0 H TYR A 110 7.068 -8.541 6.482 1.00 0.00 H new ATOM 0 HA TYR A 110 4.347 -9.238 7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 110 4.546 -8.346 5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.860 -9.438 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.206 -9.370 5.561 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.426 -11.578 3.846 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.613 -11.008 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.830 -13.211 2.950 1.00 0.00 H new ATOM 0 HH TYR A 110 1.718 -13.814 2.758 1.00 0.00 H new