USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 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 117 SER OG : rot 178:sc= -1.06 USER MOD Set 1.2: A 119 THR OG1 : rot -120:sc= 0 USER MOD Set 2.1: A 82 LYS NZ :NH3+ 147:sc= -0.147 (180deg=0) USER MOD Set 2.2: A 84 GLN : amide:sc= -0.502 K(o=-3.5,f=-15!) USER MOD Set 2.3: A 123 ASN : amide:sc= -2.84! C(o=-3.5!,f=-12!) USER MOD Single : A 87 ASN : amide:sc= -2.39! C(o=-2.4!,f=-3.1!) USER MOD Single : A 91 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.0034) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-6.07e-05 K(o=-6.1e-05,f=-0.75) USER MOD Single : A 104 TYR OH : rot 150:sc= -0.0133 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -54:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0584 K(o=-0.058,f=-1.2) USER MOD Single : A 114 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.45) USER MOD Single : A 115 THR OG1 : rot -50:sc= 0.495 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.915 USER MOD Single : A 126 TYR OH : rot -10:sc= 0.325 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -0.864 K(o=-0.86,f=-4.2) USER MOD Single : A 134 GLN : amide:sc= -2.7 K(o=-2.7,f=-7.5!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.4!) USER MOD Single : A 143 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.31) USER MOD Single : A 146 ASN : amide:sc= -0.466 K(o=-0.47,f=-3.4!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.070 -1.657 -3.582 1.00 0.00 N ATOM 238 CA LYS A 82 8.395 -1.251 -2.355 1.00 0.00 C ATOM 239 C LYS A 82 7.103 -0.501 -2.666 1.00 0.00 C ATOM 240 O LYS A 82 6.796 -0.229 -3.827 1.00 0.00 O ATOM 241 CB LYS A 82 9.317 -0.371 -1.508 1.00 0.00 C ATOM 242 CG LYS A 82 10.164 -1.153 -0.519 1.00 0.00 C ATOM 243 CD LYS A 82 10.478 -0.330 0.719 1.00 0.00 C ATOM 244 CE LYS A 82 11.268 0.922 0.370 1.00 0.00 C ATOM 245 NZ LYS A 82 10.988 2.037 1.317 1.00 0.00 N ATOM 0 HA LYS A 82 8.145 -2.151 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.974 0.194 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.713 0.354 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.639 -2.063 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.094 -1.461 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.549 -0.049 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.046 -0.935 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.334 0.694 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.021 1.236 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.845 2.614 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.222 2.630 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.701 1.647 2.237 1.00 0.00 H new ATOM 259 N LEU A 83 6.351 -0.169 -1.623 1.00 0.00 N ATOM 260 CA LEU A 83 5.093 0.551 -1.784 1.00 0.00 C ATOM 261 C LEU A 83 4.824 1.453 -0.584 1.00 0.00 C ATOM 262 O LEU A 83 5.032 1.055 0.562 1.00 0.00 O ATOM 263 CB LEU A 83 3.938 -0.435 -1.966 1.00 0.00 C ATOM 264 CG LEU A 83 3.900 -1.188 -3.296 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.042 -2.437 -3.178 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.381 -0.285 -4.405 1.00 0.00 C ATOM 0 H LEU A 83 6.591 -0.387 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 83 5.172 1.176 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.981 -1.166 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.001 0.110 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 83 4.916 -1.493 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.027 -2.960 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.457 -3.093 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.026 -2.156 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.361 -0.837 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.373 0.050 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.037 0.580 -4.507 1.00 0.00 H new ATOM 278 N GLN A 84 4.359 2.668 -0.856 1.00 0.00 N ATOM 279 CA GLN A 84 4.059 3.625 0.202 1.00 0.00 C ATOM 280 C GLN A 84 2.553 3.771 0.394 1.00 0.00 C ATOM 281 O GLN A 84 1.822 4.062 -0.553 1.00 0.00 O ATOM 282 CB GLN A 84 4.678 4.986 -0.122 1.00 0.00 C ATOM 283 CG GLN A 84 4.185 6.109 0.776 1.00 0.00 C ATOM 284 CD GLN A 84 5.222 7.196 0.975 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.996 8.356 0.630 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.368 6.826 1.535 1.00 0.00 N ATOM 0 H GLN A 84 4.182 3.013 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 84 4.490 3.249 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.762 4.912 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.457 5.238 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.285 6.546 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.905 5.697 1.746 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.513 5.853 1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.103 7.515 1.695 1.00 0.00 H new ATOM 295 N ILE A 85 2.097 3.567 1.625 1.00 0.00 N ATOM 296 CA ILE A 85 0.678 3.677 1.941 1.00 0.00 C ATOM 297 C ILE A 85 0.407 4.875 2.844 1.00 0.00 C ATOM 298 O ILE A 85 1.050 5.043 3.880 1.00 0.00 O ATOM 299 CB ILE A 85 0.154 2.402 2.628 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.553 1.163 1.824 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.358 2.471 2.790 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.313 -0.137 2.559 1.00 0.00 C ATOM 0 H ILE A 85 2.689 3.325 2.420 1.00 0.00 H new ATOM 0 HA ILE A 85 0.154 3.812 0.995 1.00 0.00 H new ATOM 0 HB ILE A 85 0.603 2.330 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.007 1.151 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.609 1.234 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.714 1.563 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.620 3.336 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.825 2.564 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.619 -0.973 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.894 -0.146 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.747 -0.230 2.797 1.00 0.00 H new ATOM 314 N ARG A 86 -0.551 5.706 2.445 1.00 0.00 N ATOM 315 CA ARG A 86 -0.908 6.888 3.219 1.00 0.00 C ATOM 316 C ARG A 86 -2.414 6.945 3.462 1.00 0.00 C ATOM 317 O ARG A 86 -3.148 6.033 3.084 1.00 0.00 O ATOM 318 CB ARG A 86 -0.450 8.155 2.494 1.00 0.00 C ATOM 319 CG ARG A 86 1.018 8.135 2.100 1.00 0.00 C ATOM 320 CD ARG A 86 1.585 9.541 1.991 1.00 0.00 C ATOM 321 NE ARG A 86 2.680 9.616 1.027 1.00 0.00 N ATOM 322 CZ ARG A 86 2.499 9.676 -0.287 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.273 9.670 -0.793 1.00 0.00 N ATOM 324 NH2 ARG A 86 3.546 9.742 -1.100 1.00 0.00 N ATOM 0 H ARG A 86 -1.093 5.582 1.590 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.404 6.826 4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.056 8.290 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.633 9.017 3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.586 7.569 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.133 7.620 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.793 10.229 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.940 9.866 2.969 1.00 0.00 H new ATOM 0 HE ARG A 86 3.636 9.623 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.465 9.619 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.138 9.716 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.491 9.747 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.406 9.788 -2.109 1.00 0.00 H new ATOM 338 N ASN A 87 -2.866 8.022 4.097 1.00 0.00 N ATOM 339 CA ASN A 87 -4.283 8.197 4.391 1.00 0.00 C ATOM 340 C ASN A 87 -4.776 7.118 5.351 1.00 0.00 C ATOM 341 O ASN A 87 -5.950 6.744 5.331 1.00 0.00 O ATOM 342 CB ASN A 87 -5.102 8.160 3.100 1.00 0.00 C ATOM 343 CG ASN A 87 -5.274 9.535 2.484 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.301 10.261 2.280 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.515 9.899 2.186 1.00 0.00 N ATOM 0 H ASN A 87 -2.271 8.786 4.418 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.413 9.169 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.613 7.502 2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.083 7.733 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.692 10.813 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.291 9.264 2.373 1.00 0.00 H new ATOM 352 N ILE A 88 -3.873 6.622 6.190 1.00 0.00 N ATOM 353 CA ILE A 88 -4.217 5.587 7.157 1.00 0.00 C ATOM 354 C ILE A 88 -4.787 6.196 8.434 1.00 0.00 C ATOM 355 O ILE A 88 -4.223 7.125 9.013 1.00 0.00 O ATOM 356 CB ILE A 88 -2.994 4.723 7.516 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.460 4.014 6.269 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.357 3.711 8.592 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.016 3.580 6.393 1.00 0.00 C ATOM 0 H ILE A 88 -2.898 6.920 6.220 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.973 4.956 6.689 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.211 5.373 7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.078 3.139 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.559 4.680 5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.482 3.108 8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.695 4.236 9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.154 3.063 8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.705 3.085 5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.387 4.453 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.914 2.889 7.230 1.00 0.00 H new ATOM 371 N PRO A 89 -5.931 5.661 8.885 1.00 0.00 N ATOM 372 CA PRO A 89 -6.601 6.135 10.100 1.00 0.00 C ATOM 373 C PRO A 89 -5.824 5.786 11.365 1.00 0.00 C ATOM 374 O PRO A 89 -5.538 4.621 11.645 1.00 0.00 O ATOM 375 CB PRO A 89 -7.942 5.397 10.076 1.00 0.00 C ATOM 376 CG PRO A 89 -7.684 4.168 9.275 1.00 0.00 C ATOM 377 CD PRO A 89 -6.658 4.552 8.245 1.00 0.00 C ATOM 0 HA PRO A 89 -6.696 7.221 10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.276 5.150 11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.722 6.008 9.623 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.318 3.360 9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.599 3.812 8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.995 3.720 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.124 4.863 7.310 1.00 0.00 H new ATOM 385 N PRO A 90 -5.473 6.816 12.148 1.00 0.00 N ATOM 386 CA PRO A 90 -4.725 6.642 13.397 1.00 0.00 C ATOM 387 C PRO A 90 -5.559 5.973 14.484 1.00 0.00 C ATOM 388 O PRO A 90 -5.093 5.781 15.608 1.00 0.00 O ATOM 389 CB PRO A 90 -4.371 8.076 13.801 1.00 0.00 C ATOM 390 CG PRO A 90 -5.421 8.919 13.164 1.00 0.00 C ATOM 391 CD PRO A 90 -5.780 8.230 11.876 1.00 0.00 C ATOM 0 HA PRO A 90 -3.858 5.995 13.266 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.372 8.194 14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.376 8.352 13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.292 9.013 13.812 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.052 9.927 12.977 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.831 8.372 11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.197 8.614 11.039 1.00 0.00 H new ATOM 399 N HIS A 91 -6.794 5.619 14.142 1.00 0.00 N ATOM 400 CA HIS A 91 -7.692 4.969 15.090 1.00 0.00 C ATOM 401 C HIS A 91 -7.544 3.452 15.027 1.00 0.00 C ATOM 402 O HIS A 91 -7.418 2.787 16.056 1.00 0.00 O ATOM 403 CB HIS A 91 -9.141 5.363 14.803 1.00 0.00 C ATOM 404 CG HIS A 91 -9.308 6.804 14.430 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.210 7.237 13.482 1.00 0.00 N ATOM 406 CD2 HIS A 91 -8.681 7.914 14.884 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.131 8.550 13.368 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.210 8.986 14.209 1.00 0.00 N ATOM 0 H HIS A 91 -7.195 5.771 13.217 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.424 5.301 16.093 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.525 4.740 13.995 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.747 5.152 15.684 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.908 7.950 15.637 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.719 9.163 12.701 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.937 9.960 14.336 1.00 0.00 H new ATOM 416 N LEU A 92 -7.560 2.910 13.814 1.00 0.00 N ATOM 417 CA LEU A 92 -7.428 1.471 13.617 1.00 0.00 C ATOM 418 C LEU A 92 -6.215 0.928 14.365 1.00 0.00 C ATOM 419 O LEU A 92 -5.267 1.662 14.644 1.00 0.00 O ATOM 420 CB LEU A 92 -7.307 1.150 12.126 1.00 0.00 C ATOM 421 CG LEU A 92 -6.571 -0.144 11.775 1.00 0.00 C ATOM 422 CD1 LEU A 92 -7.059 -0.692 10.443 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.068 0.091 11.739 1.00 0.00 C ATOM 0 H LEU A 92 -7.663 3.446 12.952 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.322 0.991 14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.310 1.100 11.703 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.796 1.979 11.637 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.785 -0.882 12.548 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.524 -1.613 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.127 -0.899 10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.876 0.042 9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.560 -0.840 11.488 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.836 0.845 10.987 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.730 0.436 12.716 1.00 0.00 H new ATOM 435 N GLN A 93 -6.252 -0.361 14.685 1.00 0.00 N ATOM 436 CA GLN A 93 -5.154 -1.002 15.400 1.00 0.00 C ATOM 437 C GLN A 93 -4.182 -1.661 14.427 1.00 0.00 C ATOM 438 O GLN A 93 -4.594 -2.280 13.446 1.00 0.00 O ATOM 439 CB GLN A 93 -5.696 -2.044 16.381 1.00 0.00 C ATOM 440 CG GLN A 93 -6.380 -1.437 17.596 1.00 0.00 C ATOM 441 CD GLN A 93 -7.179 -2.456 18.384 1.00 0.00 C ATOM 442 OE1 GLN A 93 -6.671 -3.518 18.743 1.00 0.00 O ATOM 443 NE2 GLN A 93 -8.438 -2.136 18.660 1.00 0.00 N ATOM 0 H GLN A 93 -7.029 -0.982 14.461 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.618 -0.233 15.956 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.404 -2.688 15.860 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.875 -2.678 16.715 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.628 -0.989 18.246 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.041 -0.633 17.272 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.819 -1.245 18.343 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.024 -2.782 19.189 1.00 0.00 H new ATOM 452 N TRP A 94 -2.891 -1.522 14.705 1.00 0.00 N ATOM 453 CA TRP A 94 -1.859 -2.104 13.854 1.00 0.00 C ATOM 454 C TRP A 94 -2.172 -3.562 13.538 1.00 0.00 C ATOM 455 O TRP A 94 -2.169 -3.969 12.377 1.00 0.00 O ATOM 456 CB TRP A 94 -0.491 -1.997 14.529 1.00 0.00 C ATOM 457 CG TRP A 94 0.654 -2.058 13.565 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.262 -3.183 13.083 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.331 -0.948 12.966 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.275 -2.838 12.222 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.337 -1.473 12.132 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.183 0.439 13.052 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.190 -0.659 11.392 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.031 1.246 12.317 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.023 0.696 11.495 1.00 0.00 C ATOM 0 H TRP A 94 -2.534 -1.012 15.513 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.838 -1.546 12.918 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.440 -1.060 15.084 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.388 -2.803 15.255 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.986 -4.195 13.341 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.883 -3.493 11.729 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.420 0.872 13.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 3.956 -1.081 10.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 1.927 2.319 12.378 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.669 1.353 10.932 1.00 0.00 H new ATOM 476 N GLU A 95 -2.441 -4.344 14.579 1.00 0.00 N ATOM 477 CA GLU A 95 -2.755 -5.758 14.411 1.00 0.00 C ATOM 478 C GLU A 95 -3.663 -5.974 13.204 1.00 0.00 C ATOM 479 O GLU A 95 -3.629 -7.027 12.567 1.00 0.00 O ATOM 480 CB GLU A 95 -3.426 -6.308 15.672 1.00 0.00 C ATOM 481 CG GLU A 95 -4.700 -5.573 16.053 1.00 0.00 C ATOM 482 CD GLU A 95 -5.658 -6.441 16.846 1.00 0.00 C ATOM 483 OE1 GLU A 95 -5.189 -7.196 17.723 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.878 -6.364 16.590 1.00 0.00 O ATOM 0 H GLU A 95 -2.448 -4.022 15.547 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.821 -6.293 14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.656 -7.363 15.520 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.722 -6.252 16.502 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.445 -4.690 16.639 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.197 -5.222 15.149 1.00 0.00 H new ATOM 491 N VAL A 96 -4.476 -4.968 12.895 1.00 0.00 N ATOM 492 CA VAL A 96 -5.393 -5.046 11.764 1.00 0.00 C ATOM 493 C VAL A 96 -4.658 -4.841 10.445 1.00 0.00 C ATOM 494 O VAL A 96 -4.854 -5.591 9.488 1.00 0.00 O ATOM 495 CB VAL A 96 -6.518 -4.001 11.881 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.441 -4.072 10.674 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.299 -4.200 13.171 1.00 0.00 C ATOM 0 H VAL A 96 -4.518 -4.090 13.412 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.831 -6.044 11.780 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.067 -3.009 11.906 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.230 -3.326 10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.869 -3.876 9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.886 -5.065 10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.090 -3.453 13.237 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.740 -5.197 13.179 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.628 -4.093 14.023 1.00 0.00 H new ATOM 507 N LEU A 97 -3.810 -3.819 10.399 1.00 0.00 N ATOM 508 CA LEU A 97 -3.043 -3.514 9.197 1.00 0.00 C ATOM 509 C LEU A 97 -2.238 -4.727 8.742 1.00 0.00 C ATOM 510 O LEU A 97 -2.366 -5.179 7.604 1.00 0.00 O ATOM 511 CB LEU A 97 -2.106 -2.332 9.451 1.00 0.00 C ATOM 512 CG LEU A 97 -1.179 -1.949 8.297 1.00 0.00 C ATOM 513 CD1 LEU A 97 -1.986 -1.469 7.101 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.190 -0.881 8.739 1.00 0.00 C ATOM 0 H LEU A 97 -3.637 -3.187 11.181 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.745 -3.249 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.712 -1.463 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.493 -2.561 10.322 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.617 -2.834 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.309 -1.201 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.653 -2.265 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.575 -0.597 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.462 -0.621 7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.734 0.006 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.412 -1.262 9.564 1.00 0.00 H new ATOM 526 N ASP A 98 -1.409 -5.251 9.639 1.00 0.00 N ATOM 527 CA ASP A 98 -0.585 -6.414 9.331 1.00 0.00 C ATOM 528 C ASP A 98 -1.379 -7.448 8.538 1.00 0.00 C ATOM 529 O ASP A 98 -0.984 -7.838 7.439 1.00 0.00 O ATOM 530 CB ASP A 98 -0.051 -7.042 10.619 1.00 0.00 C ATOM 531 CG ASP A 98 1.285 -7.730 10.417 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.329 -8.736 9.678 1.00 0.00 O ATOM 533 OD2 ASP A 98 2.287 -7.262 10.996 1.00 0.00 O ATOM 0 H ASP A 98 -1.290 -4.889 10.585 1.00 0.00 H new ATOM 0 HA ASP A 98 0.256 -6.082 8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.053 -6.269 11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.775 -7.765 10.995 1.00 0.00 H new ATOM 538 N SER A 99 -2.499 -7.887 9.103 1.00 0.00 N ATOM 539 CA SER A 99 -3.345 -8.880 8.451 1.00 0.00 C ATOM 540 C SER A 99 -3.679 -8.456 7.024 1.00 0.00 C ATOM 541 O SER A 99 -3.535 -9.237 6.082 1.00 0.00 O ATOM 542 CB SER A 99 -4.635 -9.084 9.249 1.00 0.00 C ATOM 543 OG SER A 99 -4.414 -9.922 10.370 1.00 0.00 O ATOM 0 H SER A 99 -2.842 -7.571 10.010 1.00 0.00 H new ATOM 0 HA SER A 99 -2.796 -9.821 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.017 -8.119 9.582 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.398 -9.524 8.607 1.00 0.00 H new ATOM 0 HG SER A 99 -5.253 -10.035 10.864 1.00 0.00 H new ATOM 549 N LEU A 100 -4.125 -7.214 6.871 1.00 0.00 N ATOM 550 CA LEU A 100 -4.479 -6.684 5.559 1.00 0.00 C ATOM 551 C LEU A 100 -3.321 -6.838 4.578 1.00 0.00 C ATOM 552 O LEU A 100 -3.513 -7.249 3.433 1.00 0.00 O ATOM 553 CB LEU A 100 -4.874 -5.210 5.672 1.00 0.00 C ATOM 554 CG LEU A 100 -6.294 -4.932 6.164 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.410 -3.507 6.683 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.302 -5.179 5.051 1.00 0.00 C ATOM 0 H LEU A 100 -4.250 -6.555 7.639 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.328 -7.254 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.174 -4.718 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.753 -4.746 4.693 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.514 -5.615 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.428 -3.327 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.715 -3.363 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.170 -2.807 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.308 -4.976 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.084 -4.521 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.237 -6.217 4.725 1.00 0.00 H new ATOM 568 N LEU A 101 -2.118 -6.509 5.036 1.00 0.00 N ATOM 569 CA LEU A 101 -0.927 -6.613 4.200 1.00 0.00 C ATOM 570 C LEU A 101 -0.764 -8.030 3.658 1.00 0.00 C ATOM 571 O LEU A 101 -0.791 -8.250 2.447 1.00 0.00 O ATOM 572 CB LEU A 101 0.316 -6.214 4.996 1.00 0.00 C ATOM 573 CG LEU A 101 0.262 -4.850 5.685 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.542 -4.595 6.466 1.00 0.00 C ATOM 575 CD2 LEU A 101 0.029 -3.745 4.665 1.00 0.00 C ATOM 0 H LEU A 101 -1.942 -6.168 5.981 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.045 -5.932 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.497 -6.975 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.173 -6.225 4.323 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.573 -4.852 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.485 -3.620 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.666 -5.369 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.393 -4.614 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.006 -2.782 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.842 -3.742 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.916 -3.918 4.150 1.00 0.00 H new ATOM 587 N VAL A 102 -0.597 -8.989 4.563 1.00 0.00 N ATOM 588 CA VAL A 102 -0.433 -10.385 4.177 1.00 0.00 C ATOM 589 C VAL A 102 -1.622 -10.871 3.356 1.00 0.00 C ATOM 590 O VAL A 102 -1.460 -11.637 2.406 1.00 0.00 O ATOM 591 CB VAL A 102 -0.269 -11.293 5.411 1.00 0.00 C ATOM 592 CG1 VAL A 102 1.037 -10.989 6.128 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.454 -11.132 6.351 1.00 0.00 C ATOM 0 H VAL A 102 -0.572 -8.824 5.569 1.00 0.00 H new ATOM 0 HA VAL A 102 0.471 -10.442 3.571 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.238 -12.330 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.135 -11.640 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.873 -11.160 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.040 -9.948 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.322 -11.780 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.519 -10.095 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.372 -11.405 5.830 1.00 0.00 H new ATOM 603 N GLN A 103 -2.815 -10.420 3.728 1.00 0.00 N ATOM 604 CA GLN A 103 -4.032 -10.809 3.025 1.00 0.00 C ATOM 605 C GLN A 103 -3.854 -10.681 1.516 1.00 0.00 C ATOM 606 O GLN A 103 -4.257 -11.562 0.756 1.00 0.00 O ATOM 607 CB GLN A 103 -5.210 -9.950 3.487 1.00 0.00 C ATOM 608 CG GLN A 103 -5.960 -10.532 4.674 1.00 0.00 C ATOM 609 CD GLN A 103 -7.380 -10.012 4.780 1.00 0.00 C ATOM 610 OE1 GLN A 103 -7.742 -9.027 4.135 1.00 0.00 O ATOM 611 NE2 GLN A 103 -8.194 -10.672 5.595 1.00 0.00 N ATOM 0 H GLN A 103 -2.965 -9.785 4.512 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.239 -11.853 3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.844 -8.958 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.904 -9.823 2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.981 -11.618 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.421 -10.295 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.852 -11.483 6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.161 -10.368 5.706 1.00 0.00 H new ATOM 620 N TYR A 104 -3.248 -9.579 1.089 1.00 0.00 N ATOM 621 CA TYR A 104 -3.019 -9.334 -0.330 1.00 0.00 C ATOM 622 C TYR A 104 -1.971 -10.293 -0.886 1.00 0.00 C ATOM 623 O TYR A 104 -2.208 -10.983 -1.877 1.00 0.00 O ATOM 624 CB TYR A 104 -2.572 -7.888 -0.554 1.00 0.00 C ATOM 625 CG TYR A 104 -3.650 -6.869 -0.260 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.701 -6.666 -1.145 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.617 -6.110 0.904 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.688 -5.735 -0.881 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.600 -5.178 1.177 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.633 -4.994 0.281 1.00 0.00 C ATOM 631 OH TYR A 104 -6.614 -4.067 0.549 1.00 0.00 O ATOM 0 H TYR A 104 -2.906 -8.841 1.705 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.958 -9.503 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.707 -7.682 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.247 -7.773 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.748 -7.246 -2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.809 -6.251 1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.498 -5.589 -1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.560 -4.597 2.086 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.731 -3.985 1.519 1.00 0.00 H new ATOM 641 N GLY A 105 -0.810 -10.332 -0.239 1.00 0.00 N ATOM 642 CA GLY A 105 0.257 -11.210 -0.682 1.00 0.00 C ATOM 643 C GLY A 105 1.274 -11.482 0.408 1.00 0.00 C ATOM 644 O GLY A 105 0.990 -11.297 1.592 1.00 0.00 O ATOM 0 H GLY A 105 -0.590 -9.771 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.170 -12.154 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.759 -10.762 -1.540 1.00 0.00 H new ATOM 648 N VAL A 106 2.462 -11.926 0.010 1.00 0.00 N ATOM 649 CA VAL A 106 3.524 -12.225 0.963 1.00 0.00 C ATOM 650 C VAL A 106 4.396 -11.001 1.217 1.00 0.00 C ATOM 651 O VAL A 106 5.350 -10.741 0.484 1.00 0.00 O ATOM 652 CB VAL A 106 4.414 -13.381 0.466 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.523 -13.669 1.466 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.577 -14.625 0.211 1.00 0.00 C ATOM 0 H VAL A 106 2.713 -12.086 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 106 3.040 -12.522 1.893 1.00 0.00 H new ATOM 0 HB VAL A 106 4.876 -13.083 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.141 -14.488 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.139 -12.779 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.085 -13.947 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.221 -15.431 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.086 -14.929 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.823 -14.408 -0.546 1.00 0.00 H new ATOM 664 N VAL A 107 4.062 -10.250 2.263 1.00 0.00 N ATOM 665 CA VAL A 107 4.814 -9.053 2.616 1.00 0.00 C ATOM 666 C VAL A 107 6.160 -9.413 3.236 1.00 0.00 C ATOM 667 O VAL A 107 6.219 -10.001 4.315 1.00 0.00 O ATOM 668 CB VAL A 107 4.029 -8.166 3.600 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.664 -8.950 4.851 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.831 -6.923 3.954 1.00 0.00 C ATOM 0 H VAL A 107 3.275 -10.451 2.880 1.00 0.00 H new ATOM 0 HA VAL A 107 4.979 -8.499 1.692 1.00 0.00 H new ATOM 0 HB VAL A 107 3.105 -7.848 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.110 -8.307 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.047 -9.806 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.573 -9.300 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.261 -6.308 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.773 -7.217 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.035 -6.352 3.049 1.00 0.00 H new ATOM 680 N GLU A 108 7.238 -9.055 2.546 1.00 0.00 N ATOM 681 CA GLU A 108 8.584 -9.340 3.030 1.00 0.00 C ATOM 682 C GLU A 108 8.889 -8.540 4.293 1.00 0.00 C ATOM 683 O GLU A 108 9.334 -9.093 5.299 1.00 0.00 O ATOM 684 CB GLU A 108 9.617 -9.021 1.948 1.00 0.00 C ATOM 685 CG GLU A 108 10.868 -9.881 2.028 1.00 0.00 C ATOM 686 CD GLU A 108 11.525 -9.830 3.394 1.00 0.00 C ATOM 687 OE1 GLU A 108 12.033 -8.752 3.768 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.529 -10.867 4.089 1.00 0.00 O ATOM 0 H GLU A 108 7.206 -8.567 1.651 1.00 0.00 H new ATOM 0 HA GLU A 108 8.638 -10.401 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.157 -9.153 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.902 -7.972 2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.610 -10.913 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.581 -9.549 1.273 1.00 0.00 H new ATOM 695 N SER A 109 8.647 -7.234 4.232 1.00 0.00 N ATOM 696 CA SER A 109 8.900 -6.356 5.368 1.00 0.00 C ATOM 697 C SER A 109 7.983 -5.138 5.328 1.00 0.00 C ATOM 698 O SER A 109 7.608 -4.665 4.254 1.00 0.00 O ATOM 699 CB SER A 109 10.363 -5.907 5.376 1.00 0.00 C ATOM 700 OG SER A 109 10.583 -4.904 6.353 1.00 0.00 O ATOM 0 H SER A 109 8.276 -6.761 3.408 1.00 0.00 H new ATOM 0 HA SER A 109 8.693 -6.915 6.281 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.008 -6.762 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.635 -5.526 4.392 1.00 0.00 H new ATOM 0 HG SER A 109 11.525 -4.635 6.339 1.00 0.00 H new ATOM 706 N CYS A 110 7.625 -4.636 6.504 1.00 0.00 N ATOM 707 CA CYS A 110 6.750 -3.473 6.606 1.00 0.00 C ATOM 708 C CYS A 110 7.384 -2.390 7.472 1.00 0.00 C ATOM 709 O CYS A 110 7.283 -2.425 8.698 1.00 0.00 O ATOM 710 CB CYS A 110 5.394 -3.878 7.185 1.00 0.00 C ATOM 711 SG CYS A 110 4.244 -2.500 7.406 1.00 0.00 S ATOM 0 H CYS A 110 7.927 -5.016 7.401 1.00 0.00 H new ATOM 0 HA CYS A 110 6.603 -3.071 5.604 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.936 -4.617 6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.553 -4.363 8.148 1.00 0.00 H new ATOM 0 HG CYS A 110 4.813 -1.569 8.113 1.00 0.00 H new ATOM 717 N GLU A 111 8.038 -1.430 6.826 1.00 0.00 N ATOM 718 CA GLU A 111 8.690 -0.338 7.539 1.00 0.00 C ATOM 719 C GLU A 111 7.719 0.816 7.773 1.00 0.00 C ATOM 720 O GLU A 111 6.703 0.932 7.090 1.00 0.00 O ATOM 721 CB GLU A 111 9.908 0.157 6.755 1.00 0.00 C ATOM 722 CG GLU A 111 10.843 1.033 7.572 1.00 0.00 C ATOM 723 CD GLU A 111 11.393 0.320 8.792 1.00 0.00 C ATOM 724 OE1 GLU A 111 11.752 -0.870 8.671 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.463 0.951 9.867 1.00 0.00 O ATOM 0 H GLU A 111 8.130 -1.386 5.811 1.00 0.00 H new ATOM 0 HA GLU A 111 9.019 -0.716 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.463 -0.703 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.566 0.718 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.671 1.360 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.310 1.930 7.889 1.00 0.00 H new ATOM 732 N GLN A 112 8.041 1.664 8.744 1.00 0.00 N ATOM 733 CA GLN A 112 7.197 2.807 9.070 1.00 0.00 C ATOM 734 C GLN A 112 7.735 4.082 8.429 1.00 0.00 C ATOM 735 O GLN A 112 8.932 4.199 8.166 1.00 0.00 O ATOM 736 CB GLN A 112 7.105 2.985 10.587 1.00 0.00 C ATOM 737 CG GLN A 112 6.053 3.993 11.019 1.00 0.00 C ATOM 738 CD GLN A 112 5.540 3.736 12.422 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.092 2.917 13.157 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.478 4.437 12.802 1.00 0.00 N ATOM 0 H GLN A 112 8.880 1.581 9.318 1.00 0.00 H new ATOM 0 HA GLN A 112 6.200 2.615 8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.882 2.021 11.045 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.077 3.301 10.967 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.475 4.997 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.218 3.963 10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.052 5.106 12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.088 4.307 13.736 1.00 0.00 H new ATOM 749 N VAL A 113 6.844 5.035 8.179 1.00 0.00 N ATOM 750 CA VAL A 113 7.229 6.302 7.569 1.00 0.00 C ATOM 751 C VAL A 113 6.297 7.427 8.003 1.00 0.00 C ATOM 752 O VAL A 113 5.188 7.181 8.475 1.00 0.00 O ATOM 753 CB VAL A 113 7.223 6.210 6.031 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.737 7.502 5.416 1.00 0.00 C ATOM 755 CG2 VAL A 113 8.053 5.022 5.566 1.00 0.00 C ATOM 0 H VAL A 113 5.849 4.954 8.390 1.00 0.00 H new ATOM 0 HA VAL A 113 8.241 6.521 7.909 1.00 0.00 H new ATOM 0 HB VAL A 113 6.196 6.061 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.725 7.418 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.098 8.330 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.757 7.686 5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.038 4.972 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.081 5.139 5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.635 4.103 5.977 1.00 0.00 H new ATOM 765 N ASN A 114 6.755 8.664 7.839 1.00 0.00 N ATOM 766 CA ASN A 114 5.961 9.829 8.214 1.00 0.00 C ATOM 767 C ASN A 114 6.029 10.904 7.133 1.00 0.00 C ATOM 768 O ASN A 114 7.079 11.507 6.906 1.00 0.00 O ATOM 769 CB ASN A 114 6.451 10.398 9.547 1.00 0.00 C ATOM 770 CG ASN A 114 5.815 11.736 9.873 1.00 0.00 C ATOM 771 OD1 ASN A 114 4.602 11.829 10.063 1.00 0.00 O ATOM 772 ND2 ASN A 114 6.633 12.779 9.939 1.00 0.00 N ATOM 0 H ASN A 114 7.671 8.886 7.449 1.00 0.00 H new ATOM 0 HA ASN A 114 4.924 9.512 8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.229 9.689 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.535 10.512 9.514 1.00 0.00 H new ATOM 0 HD21 ASN A 114 6.263 13.705 10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.632 12.655 9.774 1.00 0.00 H new ATOM 779 N THR A 115 4.901 11.141 6.470 1.00 0.00 N ATOM 780 CA THR A 115 4.832 12.143 5.414 1.00 0.00 C ATOM 781 C THR A 115 4.399 13.496 5.966 1.00 0.00 C ATOM 782 O THR A 115 3.993 14.383 5.215 1.00 0.00 O ATOM 783 CB THR A 115 3.855 11.719 4.301 1.00 0.00 C ATOM 784 OG1 THR A 115 4.041 12.545 3.146 1.00 0.00 O ATOM 785 CG2 THR A 115 2.414 11.822 4.778 1.00 0.00 C ATOM 0 H THR A 115 4.023 10.652 6.646 1.00 0.00 H new ATOM 0 HA THR A 115 5.834 12.229 4.995 1.00 0.00 H new ATOM 0 HB THR A 115 4.062 10.681 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.029 13.488 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.742 11.518 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.268 11.170 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.197 12.852 5.061 1.00 0.00 H new ATOM 793 N ASP A 116 4.489 13.648 7.283 1.00 0.00 N ATOM 794 CA ASP A 116 4.108 14.895 7.936 1.00 0.00 C ATOM 795 C ASP A 116 2.620 15.174 7.748 1.00 0.00 C ATOM 796 O ASP A 116 2.221 16.304 7.468 1.00 0.00 O ATOM 797 CB ASP A 116 4.931 16.058 7.383 1.00 0.00 C ATOM 798 CG ASP A 116 6.230 16.259 8.139 1.00 0.00 C ATOM 799 OD1 ASP A 116 7.171 15.468 7.921 1.00 0.00 O ATOM 800 OD2 ASP A 116 6.305 17.208 8.948 1.00 0.00 O ATOM 0 H ASP A 116 4.822 12.923 7.919 1.00 0.00 H new ATOM 0 HA ASP A 116 4.309 14.794 9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.151 15.876 6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.340 16.973 7.432 1.00 0.00 H new ATOM 805 N SER A 117 1.804 14.136 7.904 1.00 0.00 N ATOM 806 CA SER A 117 0.360 14.269 7.746 1.00 0.00 C ATOM 807 C SER A 117 -0.372 13.725 8.970 1.00 0.00 C ATOM 808 O SER A 117 0.214 13.028 9.797 1.00 0.00 O ATOM 809 CB SER A 117 -0.107 13.532 6.489 1.00 0.00 C ATOM 810 OG SER A 117 0.255 12.163 6.537 1.00 0.00 O ATOM 0 H SER A 117 2.118 13.194 8.139 1.00 0.00 H new ATOM 0 HA SER A 117 0.126 15.329 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.189 13.622 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.332 13.997 5.607 1.00 0.00 H new ATOM 0 HG SER A 117 -0.084 11.707 5.739 1.00 0.00 H new ATOM 816 N GLU A 118 -1.656 14.050 9.076 1.00 0.00 N ATOM 817 CA GLU A 118 -2.469 13.596 10.198 1.00 0.00 C ATOM 818 C GLU A 118 -2.584 12.074 10.205 1.00 0.00 C ATOM 819 O GLU A 118 -2.553 11.442 11.262 1.00 0.00 O ATOM 820 CB GLU A 118 -3.863 14.223 10.135 1.00 0.00 C ATOM 821 CG GLU A 118 -4.875 13.382 9.376 1.00 0.00 C ATOM 822 CD GLU A 118 -6.064 14.192 8.897 1.00 0.00 C ATOM 823 OE1 GLU A 118 -6.615 14.970 9.703 1.00 0.00 O ATOM 824 OE2 GLU A 118 -6.444 14.047 7.716 1.00 0.00 O ATOM 0 H GLU A 118 -2.156 14.626 8.399 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.979 13.911 11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.226 14.384 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.790 15.203 9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.387 12.919 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.225 12.574 10.018 1.00 0.00 H new ATOM 831 N THR A 119 -2.717 11.491 9.018 1.00 0.00 N ATOM 832 CA THR A 119 -2.839 10.045 8.886 1.00 0.00 C ATOM 833 C THR A 119 -1.484 9.363 9.036 1.00 0.00 C ATOM 834 O THR A 119 -0.443 10.021 9.031 1.00 0.00 O ATOM 835 CB THR A 119 -3.449 9.654 7.527 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.638 10.162 6.461 1.00 0.00 O ATOM 837 CG2 THR A 119 -4.865 10.193 7.394 1.00 0.00 C ATOM 0 H THR A 119 -2.743 11.999 8.134 1.00 0.00 H new ATOM 0 HA THR A 119 -3.502 9.710 9.684 1.00 0.00 H new ATOM 0 HB THR A 119 -3.484 8.566 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.171 10.768 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.275 9.904 6.426 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.487 9.782 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 119 -4.849 11.280 7.471 1.00 0.00 H new ATOM 845 N ALA A 120 -1.503 8.041 9.169 1.00 0.00 N ATOM 846 CA ALA A 120 -0.275 7.270 9.318 1.00 0.00 C ATOM 847 C ALA A 120 0.302 6.888 7.959 1.00 0.00 C ATOM 848 O ALA A 120 -0.418 6.828 6.963 1.00 0.00 O ATOM 849 CB ALA A 120 -0.532 6.024 10.153 1.00 0.00 C ATOM 0 H ALA A 120 -2.356 7.481 9.177 1.00 0.00 H new ATOM 0 HA ALA A 120 0.456 7.894 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.394 5.458 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -0.891 6.315 11.140 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.283 5.405 9.662 1.00 0.00 H new ATOM 855 N VAL A 121 1.606 6.632 7.926 1.00 0.00 N ATOM 856 CA VAL A 121 2.280 6.256 6.689 1.00 0.00 C ATOM 857 C VAL A 121 3.224 5.081 6.913 1.00 0.00 C ATOM 858 O VAL A 121 4.010 5.073 7.861 1.00 0.00 O ATOM 859 CB VAL A 121 3.077 7.437 6.102 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.699 7.051 4.769 1.00 0.00 C ATOM 861 CG2 VAL A 121 2.184 8.659 5.950 1.00 0.00 C ATOM 0 H VAL A 121 2.217 6.678 8.742 1.00 0.00 H new ATOM 0 HA VAL A 121 1.504 5.965 5.982 1.00 0.00 H new ATOM 0 HB VAL A 121 3.883 7.688 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.258 7.897 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.373 6.207 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.913 6.772 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.763 9.483 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.356 8.424 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.792 8.947 6.926 1.00 0.00 H new ATOM 871 N VAL A 122 3.143 4.087 6.033 1.00 0.00 N ATOM 872 CA VAL A 122 3.992 2.906 6.134 1.00 0.00 C ATOM 873 C VAL A 122 4.426 2.422 4.754 1.00 0.00 C ATOM 874 O VAL A 122 3.746 2.666 3.758 1.00 0.00 O ATOM 875 CB VAL A 122 3.272 1.758 6.866 1.00 0.00 C ATOM 876 CG1 VAL A 122 3.069 2.105 8.333 1.00 0.00 C ATOM 877 CG2 VAL A 122 1.943 1.448 6.193 1.00 0.00 C ATOM 0 H VAL A 122 2.498 4.077 5.243 1.00 0.00 H new ATOM 0 HA VAL A 122 4.872 3.197 6.708 1.00 0.00 H new ATOM 0 HB VAL A 122 3.897 0.866 6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.559 1.282 8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.037 2.273 8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.465 3.009 8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.448 0.635 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.309 2.334 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.119 1.153 5.159 1.00 0.00 H new ATOM 887 N ASN A 123 5.562 1.734 4.705 1.00 0.00 N ATOM 888 CA ASN A 123 6.087 1.215 3.447 1.00 0.00 C ATOM 889 C ASN A 123 6.033 -0.309 3.423 1.00 0.00 C ATOM 890 O ASN A 123 6.604 -0.975 4.287 1.00 0.00 O ATOM 891 CB ASN A 123 7.526 1.690 3.237 1.00 0.00 C ATOM 892 CG ASN A 123 7.603 3.159 2.870 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.582 3.806 2.637 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.817 3.693 2.817 1.00 0.00 N ATOM 0 H ASN A 123 6.136 1.523 5.521 1.00 0.00 H new ATOM 0 HA ASN A 123 5.464 1.595 2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.100 1.515 4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.990 1.097 2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.931 4.677 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.636 3.119 3.018 1.00 0.00 H new ATOM 901 N VAL A 124 5.344 -0.856 2.427 1.00 0.00 N ATOM 902 CA VAL A 124 5.217 -2.302 2.289 1.00 0.00 C ATOM 903 C VAL A 124 6.207 -2.845 1.264 1.00 0.00 C ATOM 904 O VAL A 124 6.463 -2.216 0.237 1.00 0.00 O ATOM 905 CB VAL A 124 3.790 -2.703 1.870 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.689 -4.210 1.690 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.777 -2.211 2.893 1.00 0.00 C ATOM 0 H VAL A 124 4.865 -0.320 1.704 1.00 0.00 H new ATOM 0 HA VAL A 124 5.436 -2.734 3.266 1.00 0.00 H new ATOM 0 HB VAL A 124 3.565 -2.232 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.674 -4.474 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.387 -4.532 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.934 -4.706 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.774 -2.503 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.998 -2.652 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.832 -1.125 2.967 1.00 0.00 H new ATOM 917 N THR A 125 6.761 -4.019 1.549 1.00 0.00 N ATOM 918 CA THR A 125 7.724 -4.648 0.653 1.00 0.00 C ATOM 919 C THR A 125 7.406 -6.126 0.455 1.00 0.00 C ATOM 920 O THR A 125 7.784 -6.966 1.271 1.00 0.00 O ATOM 921 CB THR A 125 9.162 -4.510 1.188 1.00 0.00 C ATOM 922 OG1 THR A 125 9.371 -3.188 1.696 1.00 0.00 O ATOM 923 CG2 THR A 125 10.176 -4.805 0.094 1.00 0.00 C ATOM 0 H THR A 125 6.559 -4.554 2.394 1.00 0.00 H new ATOM 0 HA THR A 125 7.650 -4.132 -0.304 1.00 0.00 H new ATOM 0 HB THR A 125 9.298 -5.233 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.287 -3.109 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.184 -4.701 0.495 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.033 -5.822 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.039 -4.103 -0.728 1.00 0.00 H new ATOM 931 N TYR A 126 6.712 -6.435 -0.634 1.00 0.00 N ATOM 932 CA TYR A 126 6.342 -7.813 -0.939 1.00 0.00 C ATOM 933 C TYR A 126 7.494 -8.548 -1.617 1.00 0.00 C ATOM 934 O TYR A 126 8.313 -7.941 -2.307 1.00 0.00 O ATOM 935 CB TYR A 126 5.104 -7.844 -1.836 1.00 0.00 C ATOM 936 CG TYR A 126 3.848 -7.353 -1.151 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.231 -8.108 -0.161 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.279 -6.132 -1.494 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.084 -7.663 0.466 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.132 -5.679 -0.871 1.00 0.00 C ATOM 941 CZ TYR A 126 1.538 -6.448 0.108 1.00 0.00 C ATOM 942 OH TYR A 126 0.396 -6.000 0.731 1.00 0.00 O ATOM 0 H TYR A 126 6.394 -5.751 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 126 6.115 -8.318 -0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.290 -7.232 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.943 -8.864 -2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.656 -9.059 0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.741 -5.527 -2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.617 -8.263 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.703 -4.728 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 126 0.018 -6.720 1.278 1.00 0.00 H new ATOM 952 N SER A 127 7.549 -9.861 -1.417 1.00 0.00 N ATOM 953 CA SER A 127 8.601 -10.681 -2.006 1.00 0.00 C ATOM 954 C SER A 127 8.470 -10.724 -3.525 1.00 0.00 C ATOM 955 O SER A 127 9.461 -10.622 -4.248 1.00 0.00 O ATOM 956 CB SER A 127 8.549 -12.101 -1.438 1.00 0.00 C ATOM 957 OG SER A 127 9.756 -12.797 -1.694 1.00 0.00 O ATOM 0 H SER A 127 6.877 -10.380 -0.851 1.00 0.00 H new ATOM 0 HA SER A 127 9.561 -10.231 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.370 -12.060 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.713 -12.642 -1.880 1.00 0.00 H new ATOM 0 HG SER A 127 9.698 -13.701 -1.320 1.00 0.00 H new ATOM 963 N SER A 128 7.238 -10.875 -4.003 1.00 0.00 N ATOM 964 CA SER A 128 6.976 -10.935 -5.436 1.00 0.00 C ATOM 965 C SER A 128 6.367 -9.627 -5.932 1.00 0.00 C ATOM 966 O SER A 128 5.857 -8.829 -5.147 1.00 0.00 O ATOM 967 CB SER A 128 6.039 -12.101 -5.755 1.00 0.00 C ATOM 968 OG SER A 128 6.106 -12.448 -7.128 1.00 0.00 O ATOM 0 H SER A 128 6.406 -10.958 -3.418 1.00 0.00 H new ATOM 0 HA SER A 128 7.925 -11.090 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.306 -12.964 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.016 -11.831 -5.494 1.00 0.00 H new ATOM 0 HG SER A 128 5.499 -13.197 -7.306 1.00 0.00 H new ATOM 974 N LYS A 129 6.426 -9.415 -7.242 1.00 0.00 N ATOM 975 CA LYS A 129 5.880 -8.205 -7.847 1.00 0.00 C ATOM 976 C LYS A 129 4.355 -8.231 -7.834 1.00 0.00 C ATOM 977 O LYS A 129 3.713 -7.314 -7.322 1.00 0.00 O ATOM 978 CB LYS A 129 6.386 -8.055 -9.283 1.00 0.00 C ATOM 979 CG LYS A 129 6.127 -6.683 -9.879 1.00 0.00 C ATOM 980 CD LYS A 129 4.747 -6.601 -10.511 1.00 0.00 C ATOM 981 CE LYS A 129 4.435 -5.190 -10.987 1.00 0.00 C ATOM 982 NZ LYS A 129 5.057 -4.900 -12.309 1.00 0.00 N ATOM 0 H LYS A 129 6.846 -10.065 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 129 6.216 -7.351 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.457 -8.255 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.908 -8.809 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.218 -5.925 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 129 6.886 -6.462 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.690 -7.291 -11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.995 -6.917 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 129 3.355 -5.061 -11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 129 4.794 -4.471 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 4.821 -3.929 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.090 -4.998 -12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.695 -5.570 -13.017 1.00 0.00 H new ATOM 996 N ASP A 130 3.781 -9.287 -8.400 1.00 0.00 N ATOM 997 CA ASP A 130 2.331 -9.434 -8.452 1.00 0.00 C ATOM 998 C ASP A 130 1.705 -9.122 -7.096 1.00 0.00 C ATOM 999 O ASP A 130 0.884 -8.213 -6.976 1.00 0.00 O ATOM 1000 CB ASP A 130 1.955 -10.851 -8.887 1.00 0.00 C ATOM 1001 CG ASP A 130 0.582 -11.263 -8.395 1.00 0.00 C ATOM 1002 OD1 ASP A 130 -0.342 -10.424 -8.443 1.00 0.00 O ATOM 1003 OD2 ASP A 130 0.431 -12.424 -7.963 1.00 0.00 O ATOM 0 H ASP A 130 4.298 -10.054 -8.829 1.00 0.00 H new ATOM 0 HA ASP A 130 1.945 -8.724 -9.183 1.00 0.00 H new ATOM 0 HB2 ASP A 130 1.981 -10.913 -9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.699 -11.553 -8.510 1.00 0.00 H new ATOM 1008 N GLN A 131 2.098 -9.883 -6.079 1.00 0.00 N ATOM 1009 CA GLN A 131 1.574 -9.688 -4.733 1.00 0.00 C ATOM 1010 C GLN A 131 1.356 -8.207 -4.442 1.00 0.00 C ATOM 1011 O GLN A 131 0.364 -7.826 -3.822 1.00 0.00 O ATOM 1012 CB GLN A 131 2.529 -10.287 -3.699 1.00 0.00 C ATOM 1013 CG GLN A 131 2.440 -11.801 -3.593 1.00 0.00 C ATOM 1014 CD GLN A 131 3.721 -12.427 -3.078 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.595 -11.737 -2.552 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.839 -13.741 -3.226 1.00 0.00 N ATOM 0 H GLN A 131 2.777 -10.640 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 131 0.613 -10.198 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.551 -10.009 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.316 -9.850 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.618 -12.067 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.206 -12.217 -4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.090 -14.274 -3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.679 -14.218 -2.898 1.00 0.00 H new ATOM 1025 N ALA A 132 2.289 -7.376 -4.895 1.00 0.00 N ATOM 1026 CA ALA A 132 2.198 -5.937 -4.685 1.00 0.00 C ATOM 1027 C ALA A 132 1.111 -5.322 -5.561 1.00 0.00 C ATOM 1028 O ALA A 132 0.243 -4.598 -5.073 1.00 0.00 O ATOM 1029 CB ALA A 132 3.540 -5.276 -4.964 1.00 0.00 C ATOM 0 H ALA A 132 3.117 -7.675 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 132 1.930 -5.764 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.457 -4.201 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.294 -5.686 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.832 -5.467 -5.997 1.00 0.00 H new ATOM 1035 N ARG A 133 1.165 -5.616 -6.856 1.00 0.00 N ATOM 1036 CA ARG A 133 0.186 -5.090 -7.800 1.00 0.00 C ATOM 1037 C ARG A 133 -1.201 -5.030 -7.168 1.00 0.00 C ATOM 1038 O ARG A 133 -1.840 -3.978 -7.149 1.00 0.00 O ATOM 1039 CB ARG A 133 0.147 -5.955 -9.061 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.509 -5.270 -10.249 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.194 -5.990 -11.551 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.072 -5.566 -12.638 1.00 0.00 N ATOM 1043 CZ ARG A 133 -2.316 -6.007 -12.792 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -2.824 -6.880 -11.933 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -3.054 -5.574 -13.806 1.00 0.00 N ATOM 0 H ARG A 133 1.876 -6.215 -7.275 1.00 0.00 H new ATOM 0 HA ARG A 133 0.487 -4.078 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.165 -6.235 -9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.390 -6.878 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.589 -5.238 -10.102 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.165 -4.237 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.843 -5.801 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.293 -7.065 -11.404 1.00 0.00 H new ATOM 0 HE ARG A 133 -0.711 -4.895 -13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -2.260 -7.214 -11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -3.779 -7.217 -12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.667 -4.902 -14.468 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -4.009 -5.913 -13.923 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.660 -6.165 -6.651 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.972 -6.242 -6.019 1.00 0.00 C ATOM 1061 C GLN A 134 -3.056 -5.299 -4.823 1.00 0.00 C ATOM 1062 O GLN A 134 -3.876 -4.383 -4.799 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.265 -7.676 -5.576 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.749 -7.992 -5.482 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.540 -7.432 -6.648 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -5.947 -6.270 -6.636 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.762 -8.258 -7.664 1.00 0.00 N ATOM 0 H GLN A 134 -1.143 -7.044 -6.657 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.719 -5.937 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.799 -8.367 -6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.803 -7.849 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.885 -9.073 -5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.145 -7.586 -4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.406 -9.213 -7.632 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.288 -7.937 -8.477 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.201 -5.532 -3.832 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.177 -4.703 -2.634 1.00 0.00 C ATOM 1078 C ALA A 135 -2.516 -3.253 -2.962 1.00 0.00 C ATOM 1079 O ALA A 135 -3.468 -2.689 -2.421 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.816 -4.789 -1.959 1.00 0.00 C ATOM 0 H ALA A 135 -1.516 -6.288 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.935 -5.079 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.813 -4.165 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.613 -5.823 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.046 -4.441 -2.647 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.731 -2.654 -3.851 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.947 -1.268 -4.251 1.00 0.00 C ATOM 1088 C LEU A 136 -3.227 -1.131 -5.070 1.00 0.00 C ATOM 1089 O LEU A 136 -4.077 -0.290 -4.777 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.754 -0.758 -5.061 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.957 0.569 -5.793 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.384 1.201 -6.135 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.788 0.363 -7.051 1.00 0.00 C ATOM 0 H LEU A 136 -0.939 -3.106 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 136 -2.049 -0.667 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.097 -0.652 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.488 -1.518 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.497 1.247 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.219 2.144 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.944 1.385 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.951 0.527 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.922 1.318 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.276 -0.333 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.762 -0.044 -6.781 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.359 -1.965 -6.096 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.537 -1.940 -6.955 1.00 0.00 C ATOM 1107 C ASP A 137 -5.814 -1.851 -6.124 1.00 0.00 C ATOM 1108 O ASP A 137 -6.819 -1.295 -6.568 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.576 -3.186 -7.840 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.830 -2.992 -9.146 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.698 -1.831 -9.588 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -3.377 -4.001 -9.726 1.00 0.00 O ATOM 0 H ASP A 137 -2.665 -2.667 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.475 -1.056 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.142 -4.027 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.613 -3.445 -8.052 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.768 -2.403 -4.917 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.919 -2.387 -4.023 1.00 0.00 C ATOM 1119 C LYS A 138 -6.768 -1.304 -2.959 1.00 0.00 C ATOM 1120 O LYS A 138 -7.535 -0.341 -2.925 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.092 -3.753 -3.355 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.269 -4.894 -4.341 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.677 -4.925 -4.911 1.00 0.00 C ATOM 1124 CE LYS A 138 -8.999 -6.275 -5.532 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.346 -6.288 -6.166 1.00 0.00 N ATOM 0 H LYS A 138 -4.944 -2.868 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.805 -2.166 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.222 -3.955 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.958 -3.718 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.549 -4.790 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.055 -5.841 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.395 -4.707 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.783 -4.143 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.244 -6.520 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.951 -7.048 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.527 -7.226 -6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.069 -6.079 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.384 -5.568 -6.916 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.773 -1.467 -2.094 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.519 -0.502 -1.030 1.00 0.00 C ATOM 1141 C LEU A 139 -5.537 0.924 -1.571 1.00 0.00 C ATOM 1142 O LEU A 139 -6.130 1.819 -0.971 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.172 -0.790 -0.364 1.00 0.00 C ATOM 1144 CG LEU A 139 -4.111 -2.041 0.513 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.667 -2.403 0.826 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.900 -1.831 1.797 1.00 0.00 C ATOM 0 H LEU A 139 -5.129 -2.258 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.312 -0.599 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.416 -0.880 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.900 0.071 0.246 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.561 -2.868 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.643 -3.296 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -2.131 -2.596 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.191 -1.577 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.846 -2.731 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.479 -0.991 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.941 -1.620 1.554 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.886 1.126 -2.712 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.829 2.443 -3.336 1.00 0.00 C ATOM 1160 C ASN A 140 -6.177 3.150 -3.240 1.00 0.00 C ATOM 1161 O ASN A 140 -6.247 4.378 -3.225 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.410 2.317 -4.803 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.466 3.644 -5.535 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -4.575 4.703 -4.917 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -4.393 3.591 -6.860 1.00 0.00 N ATOM 0 H ASN A 140 -4.391 0.395 -3.223 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.088 3.038 -2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.397 1.918 -4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -5.061 1.601 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -4.427 4.451 -7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -4.303 2.690 -7.330 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.248 2.364 -3.174 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.580 2.931 -3.079 1.00 0.00 C ATOM 1174 C GLY A 141 -9.434 2.236 -2.037 1.00 0.00 C ATOM 1175 O GLY A 141 -10.650 2.427 -1.992 1.00 0.00 O ATOM 0 H GLY A 141 -7.216 1.345 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.504 3.990 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.070 2.863 -4.050 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.798 1.426 -1.198 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.507 0.698 -0.153 1.00 0.00 C ATOM 1181 C PHE A 142 -9.962 1.642 0.956 1.00 0.00 C ATOM 1182 O PHE A 142 -9.154 2.104 1.761 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.614 -0.399 0.431 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.316 -1.278 1.425 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.709 -0.778 2.656 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.584 -2.605 1.129 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.355 -1.586 3.573 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.230 -3.418 2.042 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.617 -2.906 3.265 1.00 0.00 C ATOM 0 H PHE A 142 -7.792 1.257 -1.221 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.389 0.239 -0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.232 -1.017 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.752 0.063 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.508 0.254 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.285 -3.009 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.655 -1.185 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.431 -4.451 1.799 1.00 0.00 H new ATOM 0 HZ PHE A 142 -11.124 -3.538 3.980 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.260 1.925 0.989 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.822 2.816 1.998 1.00 0.00 C ATOM 1201 C GLN A 143 -11.778 2.171 3.379 1.00 0.00 C ATOM 1202 O GLN A 143 -12.340 1.095 3.592 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.263 3.183 1.639 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.702 4.530 2.189 1.00 0.00 C ATOM 1205 CD GLN A 143 -15.211 4.677 2.235 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.929 4.081 1.433 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.699 5.475 3.178 1.00 0.00 N ATOM 0 H GLN A 143 -11.942 1.551 0.329 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.219 3.723 2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.368 3.191 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.931 2.410 2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.297 4.658 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -13.282 5.325 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.066 5.950 3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.706 5.613 3.258 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.107 2.833 4.315 1.00 0.00 N ATOM 1217 CA LEU A 144 -10.989 2.324 5.677 1.00 0.00 C ATOM 1218 C LEU A 144 -11.281 3.421 6.695 1.00 0.00 C ATOM 1219 O LEU A 144 -10.714 4.510 6.628 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.588 1.755 5.910 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.448 0.770 7.071 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.207 -0.091 6.895 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.400 1.513 8.398 1.00 0.00 C ATOM 0 H LEU A 144 -10.636 3.724 4.156 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.723 1.529 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.263 1.257 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.904 2.586 6.081 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.320 0.117 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.124 -0.786 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.282 -0.652 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.323 0.546 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.300 0.796 9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.547 2.191 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.319 2.085 8.528 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.169 3.123 7.639 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.536 4.084 8.672 1.00 0.00 C ATOM 1237 C GLU A 145 -12.743 5.473 8.075 1.00 0.00 C ATOM 1238 O GLU A 145 -12.270 6.471 8.618 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.456 4.139 9.755 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.442 2.920 10.662 1.00 0.00 C ATOM 1241 CD GLU A 145 -10.851 3.215 12.027 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -9.692 3.676 12.086 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -11.549 2.985 13.037 1.00 0.00 O ATOM 0 H GLU A 145 -12.647 2.225 7.709 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.474 3.756 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.481 4.239 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.607 5.032 10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.460 2.550 10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -10.869 2.124 10.186 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.452 5.528 6.952 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.721 6.794 6.280 1.00 0.00 C ATOM 1252 C ASN A 146 -12.424 7.451 5.817 1.00 0.00 C ATOM 1253 O ASN A 146 -12.289 8.674 5.848 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.480 7.740 7.212 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.816 7.171 7.651 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.931 5.979 7.938 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.833 8.023 7.705 1.00 0.00 N ATOM 0 H ASN A 146 -13.850 4.711 6.489 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.336 6.587 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.870 7.947 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.642 8.692 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.756 7.698 7.993 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.691 9.002 7.458 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.472 6.629 5.387 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.185 7.129 4.918 1.00 0.00 C ATOM 1266 C PHE A 147 -9.685 6.313 3.729 1.00 0.00 C ATOM 1267 O PHE A 147 -9.238 5.176 3.885 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.155 7.088 6.049 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.216 8.281 6.959 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.745 9.515 6.539 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.745 8.169 8.235 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.800 10.615 7.374 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.803 9.266 9.074 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.329 10.490 8.644 1.00 0.00 C ATOM 0 H PHE A 147 -11.568 5.614 5.354 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.320 8.162 4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.310 6.184 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.156 7.021 5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.330 9.618 5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.116 7.214 8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.430 11.571 7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.219 9.166 10.066 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.372 11.347 9.299 1.00 0.00 H new ATOM 1284 N THR A 148 -9.764 6.902 2.540 1.00 0.00 N ATOM 1285 CA THR A 148 -9.322 6.231 1.324 1.00 0.00 C ATOM 1286 C THR A 148 -7.808 6.052 1.314 1.00 0.00 C ATOM 1287 O THR A 148 -7.064 6.988 1.018 1.00 0.00 O ATOM 1288 CB THR A 148 -9.743 7.013 0.066 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.121 7.391 0.162 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.527 6.178 -1.187 1.00 0.00 C ATOM 0 H THR A 148 -10.130 7.843 2.393 1.00 0.00 H new ATOM 0 HA THR A 148 -9.801 5.252 1.312 1.00 0.00 H new ATOM 0 HB THR A 148 -9.125 7.909 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.380 7.889 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.831 6.751 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.472 5.917 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.122 5.267 -1.124 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.357 4.846 1.640 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.930 4.544 1.667 1.00 0.00 C ATOM 1300 C LEU A 149 -5.274 4.891 0.335 1.00 0.00 C ATOM 1301 O LEU A 149 -5.670 4.384 -0.715 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.708 3.065 1.989 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.403 2.539 3.245 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.214 1.035 3.370 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.877 3.250 4.483 1.00 0.00 C ATOM 0 H LEU A 149 -7.959 4.061 1.889 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.470 5.152 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.045 2.474 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.637 2.893 2.092 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.470 2.744 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.716 0.679 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.641 0.541 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.150 0.806 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.383 2.863 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.805 3.077 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.066 4.320 4.396 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.267 5.756 0.384 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.552 6.169 -0.818 1.00 0.00 C ATOM 1319 C LYS A 150 -2.254 5.385 -0.975 1.00 0.00 C ATOM 1320 O LYS A 150 -1.340 5.506 -0.158 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.252 7.669 -0.767 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.493 8.533 -0.628 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.202 9.985 -0.970 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.429 10.680 -1.541 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.060 11.764 -2.493 1.00 0.00 N ATOM 0 H LYS A 150 -3.927 6.185 1.244 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.188 5.961 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.584 7.869 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.720 7.956 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.277 8.154 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.871 8.467 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.868 10.511 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.386 10.034 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -6.057 9.948 -2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.021 11.098 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.924 12.213 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.482 12.475 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.516 11.362 -3.283 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.178 4.580 -2.030 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.990 3.778 -2.296 1.00 0.00 C ATOM 1341 C VAL A 151 -0.308 4.216 -3.587 1.00 0.00 C ATOM 1342 O VAL A 151 -0.969 4.494 -4.587 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.334 2.280 -2.394 1.00 0.00 C ATOM 1344 CG1 VAL A 151 -0.069 1.449 -2.544 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.132 1.836 -1.176 1.00 0.00 C ATOM 0 H VAL A 151 -2.926 4.466 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.310 3.934 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.949 2.124 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.333 0.394 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.459 1.750 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.575 1.607 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.367 0.775 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.544 2.006 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -3.058 2.409 -1.119 1.00 0.00 H new ATOM 1355 N ALA A 152 1.020 4.276 -3.558 1.00 0.00 N ATOM 1356 CA ALA A 152 1.792 4.678 -4.726 1.00 0.00 C ATOM 1357 C ALA A 152 3.133 3.953 -4.775 1.00 0.00 C ATOM 1358 O ALA A 152 3.759 3.717 -3.742 1.00 0.00 O ATOM 1359 CB ALA A 152 2.005 6.185 -4.725 1.00 0.00 C ATOM 0 H ALA A 152 1.583 4.051 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 152 1.227 4.402 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.583 6.471 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.039 6.689 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.546 6.475 -3.824 1.00 0.00 H new ATOM 1365 N TYR A 153 3.566 3.601 -5.980 1.00 0.00 N ATOM 1366 CA TYR A 153 4.832 2.900 -6.163 1.00 0.00 C ATOM 1367 C TYR A 153 6.009 3.789 -5.774 1.00 0.00 C ATOM 1368 O TYR A 153 6.288 4.791 -6.432 1.00 0.00 O ATOM 1369 CB TYR A 153 4.981 2.443 -7.615 1.00 0.00 C ATOM 1370 CG TYR A 153 4.328 1.110 -7.900 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.897 -0.076 -7.451 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.141 1.035 -8.618 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.304 -1.296 -7.711 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.540 -0.181 -8.881 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.126 -1.344 -8.426 1.00 0.00 C ATOM 1376 OH TYR A 153 2.531 -2.557 -8.685 1.00 0.00 O ATOM 0 H TYR A 153 3.059 3.789 -6.845 1.00 0.00 H new ATOM 0 HA TYR A 153 4.831 2.026 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.548 3.198 -8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.041 2.379 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.819 -0.043 -6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.680 1.943 -8.977 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.761 -2.208 -7.356 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.617 -0.221 -9.440 1.00 0.00 H new ATOM 0 HH TYR A 153 1.708 -2.415 -9.198 1.00 0.00 H new ATOM 1386 N ILE A 154 6.696 3.414 -4.700 1.00 0.00 N ATOM 1387 CA ILE A 154 7.844 4.175 -4.224 1.00 0.00 C ATOM 1388 C ILE A 154 8.961 4.191 -5.261 1.00 0.00 C ATOM 1389 O ILE A 154 9.319 3.166 -5.842 1.00 0.00 O ATOM 1390 CB ILE A 154 8.392 3.601 -2.904 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.314 3.639 -1.819 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.625 4.374 -2.462 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.733 2.974 -0.527 1.00 0.00 C ATOM 0 H ILE A 154 6.477 2.588 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 154 7.497 5.194 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 154 8.678 2.562 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.052 4.677 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.415 3.151 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.001 3.957 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.396 4.299 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.363 5.421 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.920 3.039 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 154 7.968 1.926 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.614 3.477 -0.128 1.00 0.00 H new