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 84 GLN : amide:sc= -4.01! C(o=-11!,f=-14!) USER MOD Set 1.2: A 123 ASN : amide:sc= -6.56! C(o=-11!,f=-26!) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.135) USER MOD Single : A 87 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.63) USER MOD Single : A 91 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.0036) USER MOD Single : A 93 GLN : amide:sc= -0.0689 K(o=-0.069,f=-1.9!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0635 K(o=-0.064,f=-1.8!) USER MOD Single : A 104 TYR OH : rot 165:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.25) USER MOD Single : A 114 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.78) USER MOD Single : A 115 THR OG1 : rot -39:sc= 0.845 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 126 TYR OH : rot -16:sc= 1.18 USER MOD Single : A 127 SER OG : rot 87:sc= 1.16 USER MOD Single : A 128 SER OG : rot 180:sc=-0.00103 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -1.92 K(o=-1.9,f=-6.1!) USER MOD Single : A 134 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.8!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= 0.328 K(o=0.33,f=-0.81) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.00396 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 30:sc= -0.939 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.189 -1.950 -3.224 1.00 0.00 N ATOM 238 CA LYS A 82 8.654 -1.302 -2.033 1.00 0.00 C ATOM 239 C LYS A 82 7.459 -0.421 -2.383 1.00 0.00 C ATOM 240 O LYS A 82 7.465 0.275 -3.399 1.00 0.00 O ATOM 241 CB LYS A 82 9.738 -0.463 -1.352 1.00 0.00 C ATOM 242 CG LYS A 82 9.568 -0.353 0.153 1.00 0.00 C ATOM 243 CD LYS A 82 10.906 -0.200 0.856 1.00 0.00 C ATOM 244 CE LYS A 82 11.355 1.253 0.889 1.00 0.00 C ATOM 245 NZ LYS A 82 12.078 1.638 -0.355 1.00 0.00 N ATOM 0 HA LYS A 82 8.321 -2.080 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.713 -0.900 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.735 0.538 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.933 0.502 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.058 -1.240 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.829 -0.581 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.657 -0.803 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.487 1.899 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.003 1.413 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.583 2.534 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.761 0.894 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.396 1.755 -1.131 1.00 0.00 H new ATOM 259 N LEU A 83 6.437 -0.454 -1.535 1.00 0.00 N ATOM 260 CA LEU A 83 5.235 0.344 -1.754 1.00 0.00 C ATOM 261 C LEU A 83 4.958 1.250 -0.559 1.00 0.00 C ATOM 262 O LEU A 83 5.265 0.901 0.580 1.00 0.00 O ATOM 263 CB LEU A 83 4.034 -0.568 -2.008 1.00 0.00 C ATOM 264 CG LEU A 83 4.008 -1.285 -3.358 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.085 -2.492 -3.304 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.575 -0.330 -4.461 1.00 0.00 C ATOM 0 H LEU A 83 6.416 -1.024 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 83 5.399 0.971 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.001 -1.320 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.126 0.028 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 83 5.016 -1.634 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.079 -2.989 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.438 -3.187 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.074 -2.166 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.562 -0.858 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.577 0.049 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.276 0.503 -4.517 1.00 0.00 H new ATOM 278 N GLN A 84 4.373 2.413 -0.828 1.00 0.00 N ATOM 279 CA GLN A 84 4.053 3.368 0.226 1.00 0.00 C ATOM 280 C GLN A 84 2.543 3.517 0.385 1.00 0.00 C ATOM 281 O GLN A 84 1.808 3.579 -0.601 1.00 0.00 O ATOM 282 CB GLN A 84 4.681 4.728 -0.081 1.00 0.00 C ATOM 283 CG GLN A 84 4.455 5.763 1.010 1.00 0.00 C ATOM 284 CD GLN A 84 5.561 5.770 2.047 1.00 0.00 C ATOM 285 OE1 GLN A 84 5.374 5.308 3.173 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.721 6.295 1.672 1.00 0.00 N ATOM 0 H GLN A 84 4.111 2.716 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 84 4.464 2.989 1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.753 4.598 -0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.271 5.105 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.380 6.752 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.503 5.565 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.831 6.666 0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.502 6.327 2.327 1.00 0.00 H new ATOM 295 N ILE A 85 2.088 3.573 1.632 1.00 0.00 N ATOM 296 CA ILE A 85 0.666 3.715 1.920 1.00 0.00 C ATOM 297 C ILE A 85 0.401 4.936 2.794 1.00 0.00 C ATOM 298 O ILE A 85 1.023 5.107 3.843 1.00 0.00 O ATOM 299 CB ILE A 85 0.105 2.464 2.621 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.358 1.218 1.769 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.381 2.632 2.896 1.00 0.00 C ATOM 302 CD1 ILE A 85 -0.148 -0.059 2.401 1.00 0.00 C ATOM 0 H ILE A 85 2.683 3.522 2.459 1.00 0.00 H new ATOM 0 HA ILE A 85 0.162 3.841 0.962 1.00 0.00 H new ATOM 0 HB ILE A 85 0.619 2.339 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.121 1.348 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.428 1.124 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.762 1.739 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.536 3.498 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.911 2.779 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.065 -0.901 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.349 -0.213 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.224 0.015 2.559 1.00 0.00 H new ATOM 314 N ARG A 86 -0.527 5.780 2.357 1.00 0.00 N ATOM 315 CA ARG A 86 -0.875 6.985 3.101 1.00 0.00 C ATOM 316 C ARG A 86 -2.376 7.044 3.369 1.00 0.00 C ATOM 317 O ARG A 86 -3.115 6.123 3.025 1.00 0.00 O ATOM 318 CB ARG A 86 -0.435 8.231 2.329 1.00 0.00 C ATOM 319 CG ARG A 86 1.074 8.360 2.191 1.00 0.00 C ATOM 320 CD ARG A 86 1.464 9.694 1.574 1.00 0.00 C ATOM 321 NE ARG A 86 2.770 9.634 0.922 1.00 0.00 N ATOM 322 CZ ARG A 86 3.432 10.707 0.504 1.00 0.00 C ATOM 323 NH1 ARG A 86 2.914 11.916 0.668 1.00 0.00 N ATOM 324 NH2 ARG A 86 4.616 10.571 -0.080 1.00 0.00 N ATOM 0 H ARG A 86 -1.052 5.652 1.492 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.353 6.955 4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.882 8.209 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.822 9.116 2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.540 8.261 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.455 7.547 1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.709 9.992 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.480 10.461 2.348 1.00 0.00 H new ATOM 0 HE ARG A 86 3.197 8.718 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.004 12.025 1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.425 12.738 0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.018 9.642 -0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.124 11.395 -0.401 1.00 0.00 H new ATOM 338 N ASN A 87 -2.819 8.135 3.986 1.00 0.00 N ATOM 339 CA ASN A 87 -4.232 8.313 4.302 1.00 0.00 C ATOM 340 C ASN A 87 -4.717 7.228 5.257 1.00 0.00 C ATOM 341 O ASN A 87 -5.890 6.853 5.242 1.00 0.00 O ATOM 342 CB ASN A 87 -5.069 8.292 3.021 1.00 0.00 C ATOM 343 CG ASN A 87 -5.260 9.677 2.432 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.336 10.491 2.418 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.464 9.950 1.943 1.00 0.00 N ATOM 0 H ASN A 87 -2.221 8.908 4.277 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.350 9.281 4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.585 7.651 2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.044 7.853 3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.653 10.865 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.200 9.244 1.976 1.00 0.00 H new ATOM 352 N ILE A 88 -3.808 6.729 6.088 1.00 0.00 N ATOM 353 CA ILE A 88 -4.144 5.688 7.051 1.00 0.00 C ATOM 354 C ILE A 88 -4.760 6.285 8.312 1.00 0.00 C ATOM 355 O ILE A 88 -4.246 7.242 8.891 1.00 0.00 O ATOM 356 CB ILE A 88 -2.905 4.860 7.441 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.279 4.223 6.199 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.279 3.794 8.459 1.00 0.00 C ATOM 359 CD1 ILE A 88 -0.951 3.551 6.468 1.00 0.00 C ATOM 0 H ILE A 88 -2.833 7.029 6.114 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.870 5.034 6.568 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.170 5.525 7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.972 3.488 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.141 4.991 5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.393 3.217 8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.683 4.270 9.352 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.029 3.129 8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.566 3.122 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.242 4.286 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.086 2.760 7.206 1.00 0.00 H new ATOM 371 N PRO A 89 -5.888 5.706 8.751 1.00 0.00 N ATOM 372 CA PRO A 89 -6.597 6.162 9.950 1.00 0.00 C ATOM 373 C PRO A 89 -5.827 5.858 11.230 1.00 0.00 C ATOM 374 O PRO A 89 -5.471 4.714 11.512 1.00 0.00 O ATOM 375 CB PRO A 89 -7.905 5.368 9.911 1.00 0.00 C ATOM 376 CG PRO A 89 -7.582 4.143 9.128 1.00 0.00 C ATOM 377 CD PRO A 89 -6.556 4.560 8.111 1.00 0.00 C ATOM 0 HA PRO A 89 -6.738 7.243 9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.246 5.117 10.916 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.702 5.941 9.438 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.193 3.357 9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.473 3.744 8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.854 3.755 7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.019 4.841 7.165 1.00 0.00 H new ATOM 385 N PRO A 90 -5.563 6.906 12.025 1.00 0.00 N ATOM 386 CA PRO A 90 -4.833 6.775 13.290 1.00 0.00 C ATOM 387 C PRO A 90 -5.645 6.046 14.355 1.00 0.00 C ATOM 388 O PRO A 90 -5.190 5.873 15.487 1.00 0.00 O ATOM 389 CB PRO A 90 -4.585 8.227 13.708 1.00 0.00 C ATOM 390 CG PRO A 90 -5.674 9.002 13.050 1.00 0.00 C ATOM 391 CD PRO A 90 -5.957 8.298 11.752 1.00 0.00 C ATOM 0 HA PRO A 90 -3.922 6.188 13.176 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.619 8.338 14.792 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.603 8.570 13.383 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.564 9.035 13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.368 10.034 12.876 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.009 8.371 11.477 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.382 8.724 10.930 1.00 0.00 H new ATOM 399 N HIS A 91 -6.849 5.619 13.987 1.00 0.00 N ATOM 400 CA HIS A 91 -7.723 4.907 14.911 1.00 0.00 C ATOM 401 C HIS A 91 -7.479 3.402 14.841 1.00 0.00 C ATOM 402 O HIS A 91 -7.339 2.737 15.868 1.00 0.00 O ATOM 403 CB HIS A 91 -9.188 5.212 14.598 1.00 0.00 C ATOM 404 CG HIS A 91 -9.438 6.644 14.236 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.348 7.030 13.276 1.00 0.00 N ATOM 406 CD2 HIS A 91 -8.890 7.786 14.714 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.349 8.348 13.177 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.473 8.831 14.039 1.00 0.00 N ATOM 0 H HIS A 91 -7.241 5.754 13.055 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.496 5.247 15.921 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.515 4.576 13.776 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.797 4.953 15.464 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.135 7.861 15.483 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.962 8.931 12.505 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.263 9.819 14.181 1.00 0.00 H new ATOM 416 N LEU A 92 -7.430 2.873 13.624 1.00 0.00 N ATOM 417 CA LEU A 92 -7.203 1.446 13.419 1.00 0.00 C ATOM 418 C LEU A 92 -5.958 0.980 14.167 1.00 0.00 C ATOM 419 O LEU A 92 -5.036 1.760 14.402 1.00 0.00 O ATOM 420 CB LEU A 92 -7.060 1.141 11.927 1.00 0.00 C ATOM 421 CG LEU A 92 -6.206 -0.076 11.569 1.00 0.00 C ATOM 422 CD1 LEU A 92 -6.688 -0.702 10.270 1.00 0.00 C ATOM 423 CD2 LEU A 92 -4.739 0.314 11.464 1.00 0.00 C ATOM 0 H LEU A 92 -7.544 3.410 12.764 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.064 0.906 13.813 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.056 0.996 11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.633 2.016 11.437 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.308 -0.815 12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.069 -1.567 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.725 -1.018 10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.616 0.029 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.146 -0.564 11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.618 1.071 10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.400 0.715 12.419 1.00 0.00 H new ATOM 435 N GLN A 93 -5.939 -0.297 14.535 1.00 0.00 N ATOM 436 CA GLN A 93 -4.806 -0.867 15.255 1.00 0.00 C ATOM 437 C GLN A 93 -3.791 -1.465 14.286 1.00 0.00 C ATOM 438 O GLN A 93 -4.160 -2.120 13.311 1.00 0.00 O ATOM 439 CB GLN A 93 -5.285 -1.939 16.236 1.00 0.00 C ATOM 440 CG GLN A 93 -5.713 -1.382 17.584 1.00 0.00 C ATOM 441 CD GLN A 93 -5.657 -2.419 18.688 1.00 0.00 C ATOM 442 OE1 GLN A 93 -5.154 -3.525 18.492 1.00 0.00 O ATOM 443 NE2 GLN A 93 -6.176 -2.066 19.859 1.00 0.00 N ATOM 0 H GLN A 93 -6.694 -0.956 14.347 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.321 -0.065 15.812 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.122 -2.478 15.792 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.485 -2.663 16.389 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.070 -0.542 17.847 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.729 -0.994 17.507 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.583 -1.138 19.978 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.167 -2.723 20.639 1.00 0.00 H new ATOM 452 N TRP A 94 -2.512 -1.234 14.561 1.00 0.00 N ATOM 453 CA TRP A 94 -1.443 -1.750 13.713 1.00 0.00 C ATOM 454 C TRP A 94 -1.596 -3.251 13.496 1.00 0.00 C ATOM 455 O TRP A 94 -1.523 -3.735 12.367 1.00 0.00 O ATOM 456 CB TRP A 94 -0.079 -1.448 14.336 1.00 0.00 C ATOM 457 CG TRP A 94 1.064 -1.649 13.388 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.704 -2.824 13.114 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.704 -0.646 12.592 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.704 -2.611 12.195 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.723 -1.283 11.858 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.513 0.729 12.426 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.548 -0.592 10.974 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.333 1.413 11.549 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.339 0.753 10.832 1.00 0.00 C ATOM 0 H TRP A 94 -2.190 -0.693 15.364 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.510 -1.254 12.745 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.070 -0.418 14.692 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.064 -2.087 15.207 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.460 -3.780 13.554 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.330 -3.326 11.824 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.739 1.247 12.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.325 -1.099 10.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.196 2.476 11.414 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.962 1.317 10.154 1.00 0.00 H new ATOM 476 N GLU A 95 -1.810 -3.983 14.586 1.00 0.00 N ATOM 477 CA GLU A 95 -1.973 -5.430 14.513 1.00 0.00 C ATOM 478 C GLU A 95 -2.943 -5.813 13.399 1.00 0.00 C ATOM 479 O GLU A 95 -2.782 -6.845 12.748 1.00 0.00 O ATOM 480 CB GLU A 95 -2.474 -5.977 15.851 1.00 0.00 C ATOM 481 CG GLU A 95 -3.986 -5.955 15.990 1.00 0.00 C ATOM 482 CD GLU A 95 -4.637 -7.232 15.494 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.735 -7.407 14.262 1.00 0.00 O ATOM 484 OE2 GLU A 95 -5.048 -8.055 16.338 1.00 0.00 O ATOM 0 H GLU A 95 -1.874 -3.598 15.528 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.000 -5.869 14.291 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.122 -7.002 15.970 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.035 -5.393 16.660 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.249 -5.801 17.037 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.386 -5.108 15.433 1.00 0.00 H new ATOM 491 N VAL A 96 -3.952 -4.974 13.186 1.00 0.00 N ATOM 492 CA VAL A 96 -4.948 -5.223 12.152 1.00 0.00 C ATOM 493 C VAL A 96 -4.387 -4.927 10.765 1.00 0.00 C ATOM 494 O VAL A 96 -4.641 -5.663 9.811 1.00 0.00 O ATOM 495 CB VAL A 96 -6.213 -4.373 12.374 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.243 -4.655 11.291 1.00 0.00 C ATOM 497 CG2 VAL A 96 -6.794 -4.634 13.756 1.00 0.00 C ATOM 0 H VAL A 96 -4.101 -4.116 13.717 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.213 -6.278 12.216 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.938 -3.320 12.314 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.130 -4.045 11.465 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.821 -4.412 10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.517 -5.710 11.316 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.687 -4.025 13.896 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.055 -5.688 13.848 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.056 -4.376 14.516 1.00 0.00 H new ATOM 507 N LEU A 97 -3.623 -3.845 10.661 1.00 0.00 N ATOM 508 CA LEU A 97 -3.024 -3.451 9.391 1.00 0.00 C ATOM 509 C LEU A 97 -2.170 -4.578 8.819 1.00 0.00 C ATOM 510 O LEU A 97 -2.394 -5.032 7.697 1.00 0.00 O ATOM 511 CB LEU A 97 -2.174 -2.193 9.574 1.00 0.00 C ATOM 512 CG LEU A 97 -1.640 -1.551 8.293 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.787 -1.037 7.436 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.673 -0.424 8.624 1.00 0.00 C ATOM 0 H LEU A 97 -3.404 -3.225 11.441 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.829 -3.238 8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.769 -1.451 10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.326 -2.441 10.213 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.101 -2.310 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.388 -0.583 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.442 -1.866 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.354 -0.292 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.303 0.021 7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.187 0.336 9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.165 -0.820 9.197 1.00 0.00 H new ATOM 526 N ASP A 98 -1.191 -5.025 9.598 1.00 0.00 N ATOM 527 CA ASP A 98 -0.305 -6.101 9.170 1.00 0.00 C ATOM 528 C ASP A 98 -1.059 -7.123 8.325 1.00 0.00 C ATOM 529 O ASP A 98 -0.731 -7.341 7.158 1.00 0.00 O ATOM 530 CB ASP A 98 0.321 -6.788 10.385 1.00 0.00 C ATOM 531 CG ASP A 98 1.414 -7.765 9.998 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.545 -7.312 9.725 1.00 0.00 O ATOM 533 OD2 ASP A 98 1.138 -8.983 9.968 1.00 0.00 O ATOM 0 H ASP A 98 -0.991 -4.659 10.529 1.00 0.00 H new ATOM 0 HA ASP A 98 0.486 -5.666 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.733 -6.032 11.054 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.455 -7.316 10.940 1.00 0.00 H new ATOM 538 N SER A 99 -2.069 -7.747 8.922 1.00 0.00 N ATOM 539 CA SER A 99 -2.867 -8.749 8.225 1.00 0.00 C ATOM 540 C SER A 99 -3.416 -8.193 6.915 1.00 0.00 C ATOM 541 O SER A 99 -3.216 -8.774 5.848 1.00 0.00 O ATOM 542 CB SER A 99 -4.019 -9.222 9.114 1.00 0.00 C ATOM 543 OG SER A 99 -3.601 -10.263 9.980 1.00 0.00 O ATOM 0 H SER A 99 -2.354 -7.577 9.886 1.00 0.00 H new ATOM 0 HA SER A 99 -2.221 -9.597 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.396 -8.385 9.702 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.843 -9.571 8.492 1.00 0.00 H new ATOM 0 HG SER A 99 -4.355 -10.546 10.539 1.00 0.00 H new ATOM 549 N LEU A 100 -4.108 -7.062 7.004 1.00 0.00 N ATOM 550 CA LEU A 100 -4.687 -6.425 5.826 1.00 0.00 C ATOM 551 C LEU A 100 -3.697 -6.425 4.665 1.00 0.00 C ATOM 552 O LEU A 100 -4.091 -6.469 3.499 1.00 0.00 O ATOM 553 CB LEU A 100 -5.108 -4.991 6.152 1.00 0.00 C ATOM 554 CG LEU A 100 -6.418 -4.836 6.924 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.531 -3.437 7.509 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.607 -5.136 6.023 1.00 0.00 C ATOM 0 H LEU A 100 -4.282 -6.568 7.879 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.566 -6.997 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.311 -4.522 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.193 -4.437 5.217 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.420 -5.552 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.470 -3.346 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.697 -3.258 8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.507 -2.703 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.531 -5.021 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.609 -4.444 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.534 -6.158 5.652 1.00 0.00 H new ATOM 568 N LEU A 101 -2.410 -6.376 4.992 1.00 0.00 N ATOM 569 CA LEU A 101 -1.362 -6.373 3.977 1.00 0.00 C ATOM 570 C LEU A 101 -0.950 -7.796 3.614 1.00 0.00 C ATOM 571 O LEU A 101 -0.660 -8.093 2.456 1.00 0.00 O ATOM 572 CB LEU A 101 -0.146 -5.589 4.474 1.00 0.00 C ATOM 573 CG LEU A 101 -0.443 -4.262 5.174 1.00 0.00 C ATOM 574 CD1 LEU A 101 0.840 -3.638 5.701 1.00 0.00 C ATOM 575 CD2 LEU A 101 -1.154 -3.307 4.227 1.00 0.00 C ATOM 0 H LEU A 101 -2.067 -6.338 5.952 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.758 -5.891 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.413 -6.223 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.506 -5.390 3.623 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.101 -4.459 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.609 -2.695 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.309 -4.317 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.523 -3.455 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.357 -2.368 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.521 -3.116 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.094 -3.752 3.899 1.00 0.00 H new ATOM 587 N VAL A 102 -0.929 -8.673 4.613 1.00 0.00 N ATOM 588 CA VAL A 102 -0.557 -10.066 4.399 1.00 0.00 C ATOM 589 C VAL A 102 -1.680 -10.836 3.714 1.00 0.00 C ATOM 590 O VAL A 102 -1.512 -11.998 3.343 1.00 0.00 O ATOM 591 CB VAL A 102 -0.206 -10.764 5.727 1.00 0.00 C ATOM 592 CG1 VAL A 102 -1.447 -11.390 6.345 1.00 0.00 C ATOM 593 CG2 VAL A 102 0.877 -11.810 5.509 1.00 0.00 C ATOM 0 H VAL A 102 -1.165 -8.443 5.578 1.00 0.00 H new ATOM 0 HA VAL A 102 0.323 -10.063 3.755 1.00 0.00 H new ATOM 0 HB VAL A 102 0.178 -10.016 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.180 -11.878 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.188 -10.614 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.864 -12.126 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.113 -12.293 6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.523 -12.558 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.772 -11.330 5.114 1.00 0.00 H new ATOM 603 N GLN A 103 -2.824 -10.181 3.549 1.00 0.00 N ATOM 604 CA GLN A 103 -3.976 -10.805 2.908 1.00 0.00 C ATOM 605 C GLN A 103 -3.832 -10.784 1.390 1.00 0.00 C ATOM 606 O GLN A 103 -4.221 -11.731 0.706 1.00 0.00 O ATOM 607 CB GLN A 103 -5.265 -10.092 3.321 1.00 0.00 C ATOM 608 CG GLN A 103 -5.703 -10.401 4.743 1.00 0.00 C ATOM 609 CD GLN A 103 -7.170 -10.102 4.980 1.00 0.00 C ATOM 610 OE1 GLN A 103 -7.912 -9.798 4.046 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.597 -10.188 6.235 1.00 0.00 N ATOM 0 H GLN A 103 -2.978 -9.219 3.850 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.024 -11.844 3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.124 -9.016 3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.063 -10.375 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.511 -11.452 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.100 -9.818 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.947 -10.443 6.978 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.575 -9.999 6.455 1.00 0.00 H new ATOM 620 N TYR A 104 -3.272 -9.697 0.870 1.00 0.00 N ATOM 621 CA TYR A 104 -3.080 -9.551 -0.568 1.00 0.00 C ATOM 622 C TYR A 104 -2.025 -10.528 -1.079 1.00 0.00 C ATOM 623 O TYR A 104 -2.250 -11.251 -2.049 1.00 0.00 O ATOM 624 CB TYR A 104 -2.668 -8.117 -0.906 1.00 0.00 C ATOM 625 CG TYR A 104 -3.719 -7.088 -0.556 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.739 -6.778 -1.447 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.691 -6.425 0.665 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.701 -5.837 -1.132 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.649 -5.484 0.989 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.652 -5.193 0.087 1.00 0.00 C ATOM 631 OH TYR A 104 -6.608 -4.257 0.405 1.00 0.00 O ATOM 0 H TYR A 104 -2.943 -8.905 1.422 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.027 -9.776 -1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.746 -7.878 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.449 -8.052 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.781 -7.281 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.907 -6.649 1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.487 -5.607 -1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.613 -4.979 1.943 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.580 -4.075 1.367 1.00 0.00 H new ATOM 641 N GLY A 105 -0.872 -10.544 -0.417 1.00 0.00 N ATOM 642 CA GLY A 105 0.201 -11.436 -0.817 1.00 0.00 C ATOM 643 C GLY A 105 1.193 -11.687 0.301 1.00 0.00 C ATOM 644 O GLY A 105 0.853 -11.577 1.479 1.00 0.00 O ATOM 0 H GLY A 105 -0.662 -9.955 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.223 -12.386 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.724 -11.010 -1.673 1.00 0.00 H new ATOM 648 N VAL A 106 2.424 -12.029 -0.067 1.00 0.00 N ATOM 649 CA VAL A 106 3.468 -12.298 0.913 1.00 0.00 C ATOM 650 C VAL A 106 4.241 -11.029 1.255 1.00 0.00 C ATOM 651 O VAL A 106 5.210 -10.679 0.583 1.00 0.00 O ATOM 652 CB VAL A 106 4.455 -13.365 0.404 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.662 -13.460 1.326 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.763 -14.713 0.277 1.00 0.00 C ATOM 0 H VAL A 106 2.722 -12.126 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 106 2.972 -12.671 1.809 1.00 0.00 H new ATOM 0 HB VAL A 106 4.806 -13.068 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.348 -14.219 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.170 -12.496 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.333 -13.733 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.475 -15.455 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.382 -15.020 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.935 -14.632 -0.427 1.00 0.00 H new ATOM 664 N VAL A 107 3.805 -10.342 2.307 1.00 0.00 N ATOM 665 CA VAL A 107 4.456 -9.112 2.740 1.00 0.00 C ATOM 666 C VAL A 107 5.797 -9.404 3.404 1.00 0.00 C ATOM 667 O VAL A 107 5.862 -9.670 4.603 1.00 0.00 O ATOM 668 CB VAL A 107 3.570 -8.324 3.724 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.293 -9.150 4.972 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.223 -6.999 4.085 1.00 0.00 C ATOM 0 H VAL A 107 3.003 -10.617 2.875 1.00 0.00 H new ATOM 0 HA VAL A 107 4.619 -8.509 1.847 1.00 0.00 H new ATOM 0 HB VAL A 107 2.617 -8.112 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.666 -8.577 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.779 -10.070 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.235 -9.395 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.583 -6.456 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.190 -7.185 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.364 -6.405 3.182 1.00 0.00 H new ATOM 680 N GLU A 108 6.865 -9.352 2.614 1.00 0.00 N ATOM 681 CA GLU A 108 8.206 -9.612 3.126 1.00 0.00 C ATOM 682 C GLU A 108 8.432 -8.889 4.450 1.00 0.00 C ATOM 683 O GLU A 108 8.821 -9.501 5.445 1.00 0.00 O ATOM 684 CB GLU A 108 9.259 -9.173 2.106 1.00 0.00 C ATOM 685 CG GLU A 108 10.567 -9.938 2.214 1.00 0.00 C ATOM 686 CD GLU A 108 10.358 -11.421 2.451 1.00 0.00 C ATOM 687 OE1 GLU A 108 9.709 -12.071 1.604 1.00 0.00 O ATOM 688 OE2 GLU A 108 10.843 -11.932 3.482 1.00 0.00 O ATOM 0 H GLU A 108 6.828 -9.133 1.619 1.00 0.00 H new ATOM 0 HA GLU A 108 8.301 -10.684 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.855 -9.301 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.458 -8.109 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.142 -9.798 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.160 -9.524 3.030 1.00 0.00 H new ATOM 695 N SER A 109 8.187 -7.583 4.454 1.00 0.00 N ATOM 696 CA SER A 109 8.368 -6.775 5.654 1.00 0.00 C ATOM 697 C SER A 109 7.542 -5.494 5.577 1.00 0.00 C ATOM 698 O SER A 109 7.427 -4.880 4.515 1.00 0.00 O ATOM 699 CB SER A 109 9.846 -6.430 5.845 1.00 0.00 C ATOM 700 OG SER A 109 10.138 -6.172 7.207 1.00 0.00 O ATOM 0 H SER A 109 7.863 -7.062 3.640 1.00 0.00 H new ATOM 0 HA SER A 109 8.025 -7.358 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.464 -7.254 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.099 -5.557 5.244 1.00 0.00 H new ATOM 0 HG SER A 109 11.089 -5.956 7.302 1.00 0.00 H new ATOM 706 N CYS A 110 6.969 -5.098 6.708 1.00 0.00 N ATOM 707 CA CYS A 110 6.152 -3.891 6.769 1.00 0.00 C ATOM 708 C CYS A 110 6.847 -2.806 7.585 1.00 0.00 C ATOM 709 O CYS A 110 6.802 -2.817 8.815 1.00 0.00 O ATOM 710 CB CYS A 110 4.784 -4.206 7.376 1.00 0.00 C ATOM 711 SG CYS A 110 3.703 -2.767 7.546 1.00 0.00 S ATOM 0 H CYS A 110 7.055 -5.595 7.595 1.00 0.00 H new ATOM 0 HA CYS A 110 6.013 -3.523 5.752 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.285 -4.950 6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.929 -4.656 8.358 1.00 0.00 H new ATOM 0 HG CYS A 110 2.570 -3.135 8.066 1.00 0.00 H new ATOM 717 N GLU A 111 7.489 -1.871 6.892 1.00 0.00 N ATOM 718 CA GLU A 111 8.195 -0.780 7.554 1.00 0.00 C ATOM 719 C GLU A 111 7.261 0.401 7.802 1.00 0.00 C ATOM 720 O GLU A 111 6.236 0.544 7.137 1.00 0.00 O ATOM 721 CB GLU A 111 9.390 -0.331 6.711 1.00 0.00 C ATOM 722 CG GLU A 111 10.490 0.334 7.520 1.00 0.00 C ATOM 723 CD GLU A 111 11.333 -0.664 8.291 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.248 -1.260 7.685 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.077 -0.849 9.499 1.00 0.00 O ATOM 0 H GLU A 111 7.535 -1.847 5.873 1.00 0.00 H new ATOM 0 HA GLU A 111 8.555 -1.145 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.804 -1.196 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.043 0.363 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.133 0.906 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.045 1.043 8.218 1.00 0.00 H new ATOM 732 N GLN A 112 7.625 1.243 8.763 1.00 0.00 N ATOM 733 CA GLN A 112 6.819 2.411 9.100 1.00 0.00 C ATOM 734 C GLN A 112 7.459 3.687 8.563 1.00 0.00 C ATOM 735 O GLN A 112 8.671 3.747 8.357 1.00 0.00 O ATOM 736 CB GLN A 112 6.641 2.514 10.616 1.00 0.00 C ATOM 737 CG GLN A 112 5.668 3.602 11.042 1.00 0.00 C ATOM 738 CD GLN A 112 5.161 3.410 12.458 1.00 0.00 C ATOM 739 OE1 GLN A 112 5.879 2.908 13.324 1.00 0.00 O ATOM 740 NE2 GLN A 112 3.919 3.809 12.701 1.00 0.00 N ATOM 0 H GLN A 112 8.472 1.139 9.322 1.00 0.00 H new ATOM 0 HA GLN A 112 5.841 2.293 8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.291 1.555 10.998 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.611 2.705 11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.158 4.573 10.964 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.821 3.616 10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.360 4.220 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.524 3.705 13.635 1.00 0.00 H new ATOM 749 N VAL A 113 6.636 4.707 8.339 1.00 0.00 N ATOM 750 CA VAL A 113 7.122 5.983 7.827 1.00 0.00 C ATOM 751 C VAL A 113 6.189 7.123 8.218 1.00 0.00 C ATOM 752 O VAL A 113 5.030 6.899 8.565 1.00 0.00 O ATOM 753 CB VAL A 113 7.265 5.954 6.294 1.00 0.00 C ATOM 754 CG1 VAL A 113 8.061 7.156 5.809 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.917 4.655 5.844 1.00 0.00 C ATOM 0 H VAL A 113 5.630 4.674 8.504 1.00 0.00 H new ATOM 0 HA VAL A 113 8.102 6.151 8.273 1.00 0.00 H new ATOM 0 HB VAL A 113 6.270 6.006 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.152 7.118 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.548 8.073 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.055 7.139 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.010 4.652 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.906 4.570 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.302 3.811 6.158 1.00 0.00 H new ATOM 765 N ASN A 114 6.703 8.347 8.160 1.00 0.00 N ATOM 766 CA ASN A 114 5.916 9.524 8.509 1.00 0.00 C ATOM 767 C ASN A 114 5.996 10.578 7.409 1.00 0.00 C ATOM 768 O ASN A 114 7.085 10.988 7.004 1.00 0.00 O ATOM 769 CB ASN A 114 6.402 10.115 9.833 1.00 0.00 C ATOM 770 CG ASN A 114 7.493 11.151 9.638 1.00 0.00 C ATOM 771 OD1 ASN A 114 7.317 12.323 9.970 1.00 0.00 O ATOM 772 ND2 ASN A 114 8.627 10.721 9.097 1.00 0.00 N ATOM 0 H ASN A 114 7.661 8.550 7.875 1.00 0.00 H new ATOM 0 HA ASN A 114 4.876 9.215 8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.561 10.571 10.355 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.776 9.313 10.470 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.397 11.372 8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.728 9.740 8.837 1.00 0.00 H new ATOM 779 N THR A 115 4.836 11.015 6.928 1.00 0.00 N ATOM 780 CA THR A 115 4.775 12.021 5.875 1.00 0.00 C ATOM 781 C THR A 115 4.544 13.411 6.456 1.00 0.00 C ATOM 782 O THR A 115 4.337 14.375 5.718 1.00 0.00 O ATOM 783 CB THR A 115 3.656 11.707 4.864 1.00 0.00 C ATOM 784 OG1 THR A 115 3.726 12.615 3.759 1.00 0.00 O ATOM 785 CG2 THR A 115 2.288 11.805 5.522 1.00 0.00 C ATOM 0 H THR A 115 3.926 10.688 7.251 1.00 0.00 H new ATOM 0 HA THR A 115 5.736 12.000 5.361 1.00 0.00 H new ATOM 0 HB THR A 115 3.796 10.687 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.957 13.510 4.085 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.514 11.579 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.228 11.092 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.140 12.814 5.906 1.00 0.00 H new ATOM 793 N ASP A 116 4.582 13.508 7.780 1.00 0.00 N ATOM 794 CA ASP A 116 4.379 14.782 8.459 1.00 0.00 C ATOM 795 C ASP A 116 2.928 15.237 8.339 1.00 0.00 C ATOM 796 O ASP A 116 2.654 16.399 8.040 1.00 0.00 O ATOM 797 CB ASP A 116 5.310 15.848 7.879 1.00 0.00 C ATOM 798 CG ASP A 116 5.674 16.914 8.894 1.00 0.00 C ATOM 799 OD1 ASP A 116 4.780 17.335 9.659 1.00 0.00 O ATOM 800 OD2 ASP A 116 6.852 17.327 8.924 1.00 0.00 O ATOM 0 H ASP A 116 4.752 12.720 8.405 1.00 0.00 H new ATOM 0 HA ASP A 116 4.611 14.643 9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 116 6.220 15.372 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.830 16.317 7.020 1.00 0.00 H new ATOM 805 N SER A 117 2.002 14.313 8.574 1.00 0.00 N ATOM 806 CA SER A 117 0.579 14.617 8.487 1.00 0.00 C ATOM 807 C SER A 117 -0.213 13.805 9.507 1.00 0.00 C ATOM 808 O SER A 117 0.228 12.746 9.950 1.00 0.00 O ATOM 809 CB SER A 117 0.060 14.332 7.076 1.00 0.00 C ATOM 810 OG SER A 117 -1.122 15.066 6.810 1.00 0.00 O ATOM 0 H SER A 117 2.212 13.347 8.826 1.00 0.00 H new ATOM 0 HA SER A 117 0.444 15.676 8.708 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.825 14.591 6.344 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.138 13.266 6.966 1.00 0.00 H new ATOM 0 HG SER A 117 -1.433 14.868 5.902 1.00 0.00 H new ATOM 816 N GLU A 118 -1.387 14.311 9.874 1.00 0.00 N ATOM 817 CA GLU A 118 -2.241 13.633 10.842 1.00 0.00 C ATOM 818 C GLU A 118 -2.293 12.133 10.566 1.00 0.00 C ATOM 819 O GLU A 118 -1.922 11.320 11.413 1.00 0.00 O ATOM 820 CB GLU A 118 -3.654 14.218 10.807 1.00 0.00 C ATOM 821 CG GLU A 118 -4.426 14.023 12.101 1.00 0.00 C ATOM 822 CD GLU A 118 -3.584 14.305 13.330 1.00 0.00 C ATOM 823 OE1 GLU A 118 -2.842 13.398 13.761 1.00 0.00 O ATOM 824 OE2 GLU A 118 -3.668 15.432 13.862 1.00 0.00 O ATOM 0 H GLU A 118 -1.768 15.187 9.516 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.816 13.788 11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.591 15.284 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.209 13.757 9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.296 14.679 12.103 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.798 13.000 12.147 1.00 0.00 H new ATOM 831 N THR A 119 -2.757 11.772 9.373 1.00 0.00 N ATOM 832 CA THR A 119 -2.859 10.372 8.984 1.00 0.00 C ATOM 833 C THR A 119 -1.525 9.655 9.154 1.00 0.00 C ATOM 834 O THR A 119 -0.476 10.291 9.250 1.00 0.00 O ATOM 835 CB THR A 119 -3.325 10.227 7.523 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.478 10.995 6.661 1.00 0.00 O ATOM 837 CG2 THR A 119 -4.767 10.685 7.366 1.00 0.00 C ATOM 0 H THR A 119 -3.068 12.431 8.660 1.00 0.00 H new ATOM 0 HA THR A 119 -3.600 9.915 9.641 1.00 0.00 H new ATOM 0 HB THR A 119 -3.264 9.174 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 119 -2.779 10.896 5.734 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.073 10.573 6.326 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.413 10.079 8.001 1.00 0.00 H new ATOM 0 HG23 THR A 119 -4.850 11.732 7.658 1.00 0.00 H new ATOM 845 N ALA A 120 -1.572 8.327 9.190 1.00 0.00 N ATOM 846 CA ALA A 120 -0.366 7.524 9.345 1.00 0.00 C ATOM 847 C ALA A 120 0.216 7.139 7.989 1.00 0.00 C ATOM 848 O ALA A 120 -0.438 7.287 6.957 1.00 0.00 O ATOM 849 CB ALA A 120 -0.663 6.278 10.167 1.00 0.00 C ATOM 0 H ALA A 120 -2.433 7.785 9.114 1.00 0.00 H new ATOM 0 HA ALA A 120 0.375 8.125 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.247 5.688 10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.025 6.570 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.424 5.683 9.663 1.00 0.00 H new ATOM 855 N VAL A 121 1.449 6.643 7.999 1.00 0.00 N ATOM 856 CA VAL A 121 2.119 6.236 6.769 1.00 0.00 C ATOM 857 C VAL A 121 3.020 5.030 7.008 1.00 0.00 C ATOM 858 O VAL A 121 3.724 4.956 8.015 1.00 0.00 O ATOM 859 CB VAL A 121 2.962 7.385 6.182 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.672 6.933 4.916 1.00 0.00 C ATOM 861 CG2 VAL A 121 2.088 8.600 5.909 1.00 0.00 C ATOM 0 H VAL A 121 2.004 6.513 8.845 1.00 0.00 H new ATOM 0 HA VAL A 121 1.339 5.968 6.057 1.00 0.00 H new ATOM 0 HB VAL A 121 3.720 7.668 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.262 7.757 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.329 6.095 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.934 6.622 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.699 9.402 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.307 8.334 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.631 8.936 6.840 1.00 0.00 H new ATOM 871 N VAL A 122 2.995 4.085 6.073 1.00 0.00 N ATOM 872 CA VAL A 122 3.811 2.881 6.180 1.00 0.00 C ATOM 873 C VAL A 122 4.241 2.385 4.805 1.00 0.00 C ATOM 874 O VAL A 122 3.624 2.716 3.793 1.00 0.00 O ATOM 875 CB VAL A 122 3.055 1.754 6.907 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.362 2.290 8.151 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.053 1.094 5.971 1.00 0.00 C ATOM 0 H VAL A 122 2.418 4.130 5.233 1.00 0.00 H new ATOM 0 HA VAL A 122 4.695 3.148 6.759 1.00 0.00 H new ATOM 0 HB VAL A 122 3.777 1.000 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.833 1.479 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.105 2.711 8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.651 3.065 7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.528 0.300 6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.334 1.837 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.579 0.672 5.114 1.00 0.00 H new ATOM 887 N ASN A 123 5.304 1.587 4.775 1.00 0.00 N ATOM 888 CA ASN A 123 5.818 1.045 3.523 1.00 0.00 C ATOM 889 C ASN A 123 5.636 -0.469 3.471 1.00 0.00 C ATOM 890 O ASN A 123 6.125 -1.194 4.338 1.00 0.00 O ATOM 891 CB ASN A 123 7.297 1.398 3.358 1.00 0.00 C ATOM 892 CG ASN A 123 7.500 2.802 2.823 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.570 3.422 2.306 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.720 3.312 2.945 1.00 0.00 N ATOM 0 H ASN A 123 5.826 1.302 5.604 1.00 0.00 H new ATOM 0 HA ASN A 123 5.252 1.490 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.800 1.303 4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.765 0.683 2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.916 4.253 2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.461 2.763 3.380 1.00 0.00 H new ATOM 901 N VAL A 124 4.931 -0.941 2.448 1.00 0.00 N ATOM 902 CA VAL A 124 4.686 -2.369 2.282 1.00 0.00 C ATOM 903 C VAL A 124 5.663 -2.981 1.285 1.00 0.00 C ATOM 904 O VAL A 124 5.694 -2.601 0.114 1.00 0.00 O ATOM 905 CB VAL A 124 3.246 -2.640 1.805 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.035 -4.126 1.562 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.242 -2.108 2.817 1.00 0.00 C ATOM 0 H VAL A 124 4.519 -0.355 1.721 1.00 0.00 H new ATOM 0 HA VAL A 124 4.830 -2.831 3.259 1.00 0.00 H new ATOM 0 HB VAL A 124 3.089 -2.117 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.013 -4.298 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.731 -4.472 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.210 -4.674 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.230 -2.307 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.396 -2.602 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.380 -1.033 2.936 1.00 0.00 H new ATOM 917 N THR A 125 6.462 -3.933 1.757 1.00 0.00 N ATOM 918 CA THR A 125 7.442 -4.599 0.908 1.00 0.00 C ATOM 919 C THR A 125 7.088 -6.068 0.707 1.00 0.00 C ATOM 920 O THR A 125 7.383 -6.910 1.556 1.00 0.00 O ATOM 921 CB THR A 125 8.860 -4.502 1.503 1.00 0.00 C ATOM 922 OG1 THR A 125 9.080 -3.189 2.031 1.00 0.00 O ATOM 923 CG2 THR A 125 9.911 -4.812 0.448 1.00 0.00 C ATOM 0 H THR A 125 6.450 -4.260 2.723 1.00 0.00 H new ATOM 0 HA THR A 125 7.424 -4.088 -0.055 1.00 0.00 H new ATOM 0 HB THR A 125 8.945 -5.235 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.983 -3.135 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 125 10.904 -4.737 0.891 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.758 -5.822 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.825 -4.099 -0.372 1.00 0.00 H new ATOM 931 N TYR A 126 6.454 -6.370 -0.421 1.00 0.00 N ATOM 932 CA TYR A 126 6.058 -7.738 -0.733 1.00 0.00 C ATOM 933 C TYR A 126 7.216 -8.512 -1.356 1.00 0.00 C ATOM 934 O TYR A 126 7.873 -8.031 -2.278 1.00 0.00 O ATOM 935 CB TYR A 126 4.859 -7.740 -1.682 1.00 0.00 C ATOM 936 CG TYR A 126 3.561 -7.335 -1.020 1.00 0.00 C ATOM 937 CD1 TYR A 126 2.946 -8.162 -0.088 1.00 0.00 C ATOM 938 CD2 TYR A 126 2.951 -6.125 -1.325 1.00 0.00 C ATOM 939 CE1 TYR A 126 1.760 -7.796 0.519 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.766 -5.750 -0.722 1.00 0.00 C ATOM 941 CZ TYR A 126 1.174 -6.589 0.199 1.00 0.00 C ATOM 942 OH TYR A 126 -0.006 -6.220 0.802 1.00 0.00 O ATOM 0 H TYR A 126 6.203 -5.685 -1.134 1.00 0.00 H new ATOM 0 HA TYR A 126 5.776 -8.229 0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.061 -7.062 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.745 -8.737 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.403 -9.107 0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.411 -5.466 -2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.294 -8.451 1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.306 -4.805 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.419 -7.004 1.220 1.00 0.00 H new ATOM 952 N SER A 127 7.458 -9.715 -0.844 1.00 0.00 N ATOM 953 CA SER A 127 8.538 -10.556 -1.347 1.00 0.00 C ATOM 954 C SER A 127 8.543 -10.578 -2.873 1.00 0.00 C ATOM 955 O SER A 127 9.582 -10.383 -3.504 1.00 0.00 O ATOM 956 CB SER A 127 8.398 -11.980 -0.806 1.00 0.00 C ATOM 957 OG SER A 127 9.647 -12.649 -0.802 1.00 0.00 O ATOM 0 H SER A 127 6.921 -10.129 -0.082 1.00 0.00 H new ATOM 0 HA SER A 127 9.483 -10.136 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.995 -11.950 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.686 -12.536 -1.416 1.00 0.00 H new ATOM 0 HG SER A 127 10.123 -12.449 0.031 1.00 0.00 H new ATOM 963 N SER A 128 7.375 -10.818 -3.459 1.00 0.00 N ATOM 964 CA SER A 128 7.245 -10.869 -4.911 1.00 0.00 C ATOM 965 C SER A 128 6.715 -9.547 -5.456 1.00 0.00 C ATOM 966 O SER A 128 6.347 -8.651 -4.697 1.00 0.00 O ATOM 967 CB SER A 128 6.313 -12.012 -5.320 1.00 0.00 C ATOM 968 OG SER A 128 6.497 -12.358 -6.682 1.00 0.00 O ATOM 0 H SER A 128 6.505 -10.980 -2.951 1.00 0.00 H new ATOM 0 HA SER A 128 8.234 -11.046 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.502 -12.882 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.277 -11.718 -5.153 1.00 0.00 H new ATOM 0 HG SER A 128 5.891 -13.091 -6.918 1.00 0.00 H new ATOM 974 N LYS A 129 6.681 -9.431 -6.780 1.00 0.00 N ATOM 975 CA LYS A 129 6.196 -8.220 -7.430 1.00 0.00 C ATOM 976 C LYS A 129 4.677 -8.244 -7.564 1.00 0.00 C ATOM 977 O LYS A 129 3.984 -7.375 -7.035 1.00 0.00 O ATOM 978 CB LYS A 129 6.838 -8.066 -8.811 1.00 0.00 C ATOM 979 CG LYS A 129 7.005 -6.620 -9.246 1.00 0.00 C ATOM 980 CD LYS A 129 8.338 -6.051 -8.793 1.00 0.00 C ATOM 981 CE LYS A 129 8.398 -4.544 -8.991 1.00 0.00 C ATOM 982 NZ LYS A 129 9.787 -4.074 -9.253 1.00 0.00 N ATOM 0 H LYS A 129 6.984 -10.162 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 129 6.474 -7.369 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.815 -8.550 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.228 -8.590 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.931 -6.555 -10.332 1.00 0.00 H new ATOM 0 HG3 LYS A 129 6.194 -6.020 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.497 -6.287 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.145 -6.525 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.756 -4.261 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.007 -4.045 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.786 -3.042 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.395 -4.321 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.151 -4.530 -10.114 1.00 0.00 H new ATOM 996 N ASP A 130 4.166 -9.245 -8.273 1.00 0.00 N ATOM 997 CA ASP A 130 2.729 -9.384 -8.473 1.00 0.00 C ATOM 998 C ASP A 130 1.973 -9.149 -7.169 1.00 0.00 C ATOM 999 O ASP A 130 1.028 -8.362 -7.123 1.00 0.00 O ATOM 1000 CB ASP A 130 2.401 -10.773 -9.024 1.00 0.00 C ATOM 1001 CG ASP A 130 2.718 -10.899 -10.501 1.00 0.00 C ATOM 1002 OD1 ASP A 130 2.719 -9.863 -11.198 1.00 0.00 O ATOM 1003 OD2 ASP A 130 2.963 -12.035 -10.960 1.00 0.00 O ATOM 0 H ASP A 130 4.726 -9.972 -8.719 1.00 0.00 H new ATOM 0 HA ASP A 130 2.414 -8.631 -9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.964 -11.523 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.344 -10.984 -8.863 1.00 0.00 H new ATOM 1008 N GLN A 131 2.395 -9.837 -6.114 1.00 0.00 N ATOM 1009 CA GLN A 131 1.756 -9.704 -4.810 1.00 0.00 C ATOM 1010 C GLN A 131 1.505 -8.238 -4.474 1.00 0.00 C ATOM 1011 O GLN A 131 0.520 -7.902 -3.818 1.00 0.00 O ATOM 1012 CB GLN A 131 2.623 -10.347 -3.726 1.00 0.00 C ATOM 1013 CG GLN A 131 2.498 -11.860 -3.664 1.00 0.00 C ATOM 1014 CD GLN A 131 3.722 -12.523 -3.064 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.618 -11.852 -2.552 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.767 -13.849 -3.124 1.00 0.00 N ATOM 0 H GLN A 131 3.176 -10.492 -6.136 1.00 0.00 H new ATOM 0 HA GLN A 131 0.796 -10.218 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.666 -10.084 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.349 -9.928 -2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.620 -12.124 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.335 -12.249 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.002 -14.366 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.566 -14.350 -2.737 1.00 0.00 H new ATOM 1025 N ALA A 132 2.402 -7.370 -4.929 1.00 0.00 N ATOM 1026 CA ALA A 132 2.277 -5.939 -4.678 1.00 0.00 C ATOM 1027 C ALA A 132 1.235 -5.310 -5.597 1.00 0.00 C ATOM 1028 O ALA A 132 0.299 -4.658 -5.134 1.00 0.00 O ATOM 1029 CB ALA A 132 3.623 -5.252 -4.854 1.00 0.00 C ATOM 0 H ALA A 132 3.224 -7.632 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 132 1.945 -5.803 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.514 -4.184 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.342 -5.675 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.979 -5.404 -5.873 1.00 0.00 H new ATOM 1035 N ARG A 133 1.404 -5.510 -6.899 1.00 0.00 N ATOM 1036 CA ARG A 133 0.479 -4.960 -7.883 1.00 0.00 C ATOM 1037 C ARG A 133 -0.949 -4.961 -7.346 1.00 0.00 C ATOM 1038 O ARG A 133 -1.625 -3.932 -7.352 1.00 0.00 O ATOM 1039 CB ARG A 133 0.547 -5.763 -9.183 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.497 -5.352 -10.208 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.074 -5.733 -11.618 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.109 -5.427 -12.602 1.00 0.00 N ATOM 1043 CZ ARG A 133 -1.080 -5.857 -13.858 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -0.072 -6.608 -14.282 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -2.059 -5.537 -14.694 1.00 0.00 N ATOM 0 H ARG A 133 2.173 -6.049 -7.298 1.00 0.00 H new ATOM 0 HA ARG A 133 0.772 -3.930 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.539 -5.647 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.422 -6.821 -8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.448 -5.829 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.658 -4.275 -10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.841 -5.201 -11.878 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.155 -6.798 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.898 -4.851 -12.308 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.683 -6.856 -13.643 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.052 -6.937 -15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.836 -4.960 -14.372 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -2.035 -5.868 -15.658 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.401 -6.122 -6.885 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.750 -6.257 -6.346 1.00 0.00 C ATOM 1061 C GLN A 134 -2.918 -5.417 -5.084 1.00 0.00 C ATOM 1062 O GLN A 134 -3.806 -4.568 -5.006 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.056 -7.724 -6.041 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.524 -8.086 -6.200 1.00 0.00 C ATOM 1065 CD GLN A 134 -4.859 -8.562 -7.600 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.005 -9.100 -8.306 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -6.107 -8.367 -8.009 1.00 0.00 N ATOM 0 H GLN A 134 -0.854 -6.983 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.452 -5.896 -7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.461 -8.355 -6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.744 -7.947 -5.021 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.782 -8.866 -5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.137 -7.217 -5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.782 -7.917 -7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.391 -8.667 -8.942 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.060 -5.660 -4.099 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.113 -4.925 -2.841 1.00 0.00 C ATOM 1078 C ALA A 135 -2.416 -3.449 -3.080 1.00 0.00 C ATOM 1079 O ALA A 135 -3.352 -2.896 -2.503 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.804 -5.081 -2.083 1.00 0.00 C ATOM 0 H ALA A 135 -1.320 -6.360 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.920 -5.342 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.858 -4.527 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.630 -6.136 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.015 -4.692 -2.688 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.617 -2.818 -3.933 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.799 -1.405 -4.249 1.00 0.00 C ATOM 1088 C LEU A 136 -3.043 -1.194 -5.106 1.00 0.00 C ATOM 1089 O LEU A 136 -3.878 -0.340 -4.807 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.567 -0.861 -4.974 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.775 0.422 -5.780 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.557 1.104 -6.049 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.495 0.120 -7.087 1.00 0.00 C ATOM 0 H LEU A 136 -0.837 -3.262 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.930 -0.863 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.214 -0.680 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.196 -1.633 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.396 1.100 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.390 2.015 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.035 1.355 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.202 0.432 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.635 1.044 -7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -0.900 -0.576 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.467 -0.325 -6.873 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.161 -1.979 -6.171 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.304 -1.881 -7.071 1.00 0.00 C ATOM 1107 C ASP A 137 -5.612 -1.853 -6.286 1.00 0.00 C ATOM 1108 O ASP A 137 -6.637 -1.383 -6.782 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.310 -3.053 -8.053 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.493 -2.768 -9.299 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.664 -1.678 -9.883 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -2.684 -3.635 -9.689 1.00 0.00 O ATOM 0 H ASP A 137 -2.479 -2.691 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.216 -0.950 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -3.915 -3.940 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.337 -3.278 -8.339 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.571 -2.361 -5.059 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.751 -2.395 -4.204 1.00 0.00 C ATOM 1119 C LYS A 138 -6.662 -1.335 -3.110 1.00 0.00 C ATOM 1120 O LYS A 138 -7.487 -0.423 -3.047 1.00 0.00 O ATOM 1121 CB LYS A 138 -6.911 -3.781 -3.574 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.158 -4.884 -4.588 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.555 -4.794 -5.180 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.590 -5.430 -4.265 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.975 -5.239 -4.778 1.00 0.00 N ATOM 0 H LYS A 138 -4.732 -2.755 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.623 -2.181 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.013 -4.018 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.740 -3.756 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.419 -4.818 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.026 -5.855 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.812 -3.749 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.573 -5.289 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.383 -6.496 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.509 -4.997 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.651 -5.687 -4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.182 -4.222 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -11.060 -5.675 -5.719 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.656 -1.462 -2.252 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.458 -0.513 -1.161 1.00 0.00 C ATOM 1141 C LEU A 139 -5.523 0.923 -1.669 1.00 0.00 C ATOM 1142 O LEU A 139 -6.116 1.792 -1.030 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.112 -0.765 -0.479 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.968 -2.101 0.250 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.507 -2.519 0.315 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.561 -2.012 1.649 1.00 0.00 C ATOM 0 H LEU A 139 -4.965 -2.212 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.259 -0.658 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.328 -0.699 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.934 0.038 0.237 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.517 -2.859 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.424 -3.472 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -2.113 -2.624 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.935 -1.761 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.450 -2.972 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.040 -1.241 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.619 -1.759 1.580 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.911 1.165 -2.824 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.902 2.496 -3.420 1.00 0.00 C ATOM 1160 C ASN A 140 -6.283 3.138 -3.340 1.00 0.00 C ATOM 1161 O ASN A 140 -6.415 4.360 -3.391 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.445 2.422 -4.878 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.706 3.711 -5.632 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.817 3.954 -6.103 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.680 4.546 -5.749 1.00 0.00 N ATOM 0 H ASN A 140 -4.415 0.457 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.201 3.113 -2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.379 2.195 -4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.961 1.602 -5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.796 5.430 -6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.776 4.304 -5.343 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.311 2.304 -3.213 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.669 2.809 -3.127 1.00 0.00 C ATOM 1174 C GLY A 141 -9.434 2.219 -1.959 1.00 0.00 C ATOM 1175 O GLY A 141 -10.563 2.622 -1.679 1.00 0.00 O ATOM 0 H GLY A 141 -7.228 1.288 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.644 3.894 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.197 2.584 -4.054 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.819 1.259 -1.275 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.451 0.610 -0.132 1.00 0.00 C ATOM 1181 C PHE A 142 -9.834 1.635 0.931 1.00 0.00 C ATOM 1182 O PHE A 142 -8.977 2.150 1.648 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.512 -0.438 0.469 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.145 -1.255 1.559 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.504 -0.668 2.762 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.381 -2.608 1.381 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.086 -1.417 3.767 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.963 -3.363 2.383 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.316 -2.766 3.577 1.00 0.00 C ATOM 0 H PHE A 142 -7.884 0.914 -1.492 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.359 0.117 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.171 -1.105 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.629 0.062 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.327 0.386 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.107 -3.079 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.361 -0.948 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.141 -4.417 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.771 -3.353 4.361 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.128 1.925 1.026 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.625 2.888 2.001 1.00 0.00 C ATOM 1201 C GLN A 143 -11.673 2.276 3.396 1.00 0.00 C ATOM 1202 O GLN A 143 -12.543 1.458 3.698 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.017 3.380 1.599 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.367 4.746 2.166 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.778 5.178 1.819 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -14.999 5.888 0.838 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.743 4.751 2.626 1.00 0.00 N ATOM 0 H GLN A 143 -11.850 1.507 0.440 1.00 0.00 H new ATOM 0 HA GLN A 143 -10.939 3.735 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.079 3.421 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.760 2.656 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.254 4.725 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.661 5.485 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.514 4.164 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.712 5.010 2.443 1.00 0.00 H new ATOM 1216 N LEU A 144 -10.732 2.676 4.245 1.00 0.00 N ATOM 1217 CA LEU A 144 -10.666 2.167 5.610 1.00 0.00 C ATOM 1218 C LEU A 144 -10.967 3.270 6.619 1.00 0.00 C ATOM 1219 O LEU A 144 -10.215 4.237 6.738 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.284 1.571 5.886 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.200 0.581 7.049 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -7.970 -0.302 6.911 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.181 1.321 8.379 1.00 0.00 C ATOM 0 H LEU A 144 -10.004 3.352 4.012 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.420 1.387 5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -8.940 1.069 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.590 2.389 6.080 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.084 -0.056 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -7.927 -1.000 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.025 -0.859 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.074 0.319 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.121 0.601 9.195 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.316 1.983 8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.093 1.910 8.481 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.071 3.118 7.343 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.470 4.101 8.343 1.00 0.00 C ATOM 1237 C GLU A 145 -12.700 5.467 7.701 1.00 0.00 C ATOM 1238 O GLU A 145 -12.267 6.492 8.225 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.404 4.213 9.435 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.391 3.035 10.395 1.00 0.00 C ATOM 1241 CD GLU A 145 -10.883 3.411 11.773 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -11.633 4.073 12.522 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -9.736 3.045 12.104 1.00 0.00 O ATOM 0 H GLU A 145 -12.705 2.324 7.256 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.405 3.766 8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.424 4.300 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.570 5.130 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.399 2.631 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -10.764 2.243 9.984 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.385 5.470 6.562 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.673 6.708 5.847 1.00 0.00 C ATOM 1252 C ASN A 146 -12.383 7.392 5.403 1.00 0.00 C ATOM 1253 O ASN A 146 -12.329 8.615 5.274 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.487 7.655 6.731 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.705 6.981 7.332 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -16.352 6.155 6.688 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.023 7.331 8.573 1.00 0.00 N ATOM 0 H ASN A 146 -13.751 4.629 6.115 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.256 6.459 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.853 8.035 7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.805 8.515 6.141 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -16.832 6.911 9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -15.458 8.020 9.069 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.347 6.594 5.169 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.057 7.121 4.740 1.00 0.00 C ATOM 1266 C PHE A 147 -9.507 6.322 3.562 1.00 0.00 C ATOM 1267 O PHE A 147 -8.976 5.224 3.734 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.059 7.093 5.899 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.212 8.247 6.849 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.785 9.516 6.493 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.782 8.061 8.099 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.925 10.579 7.365 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.924 9.121 8.974 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.494 10.381 8.608 1.00 0.00 C ATOM 0 H PHE A 147 -11.376 5.579 5.269 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.203 8.153 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.180 6.160 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.046 7.096 5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.338 9.676 5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.119 7.077 8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.590 11.564 7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.371 8.964 9.944 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.602 11.210 9.292 1.00 0.00 H new ATOM 1284 N THR A 148 -9.639 6.880 2.362 1.00 0.00 N ATOM 1285 CA THR A 148 -9.158 6.220 1.155 1.00 0.00 C ATOM 1286 C THR A 148 -7.648 6.021 1.202 1.00 0.00 C ATOM 1287 O THR A 148 -6.881 6.961 0.987 1.00 0.00 O ATOM 1288 CB THR A 148 -9.520 7.025 -0.107 1.00 0.00 C ATOM 1289 OG1 THR A 148 -10.865 7.508 -0.012 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.371 6.169 -1.356 1.00 0.00 C ATOM 0 H THR A 148 -10.075 7.788 2.201 1.00 0.00 H new ATOM 0 HA THR A 148 -9.648 5.247 1.109 1.00 0.00 H new ATOM 0 HB THR A 148 -8.835 7.870 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.086 8.020 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.632 6.759 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.340 5.827 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.034 5.307 -1.288 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.226 4.794 1.482 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.805 4.471 1.556 1.00 0.00 C ATOM 1300 C LEU A 149 -5.108 4.778 0.235 1.00 0.00 C ATOM 1301 O LEU A 149 -5.344 4.113 -0.774 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.614 2.997 1.916 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.277 2.532 3.214 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.098 1.032 3.396 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.706 3.288 4.405 1.00 0.00 C ATOM 0 H LEU A 149 -7.847 4.005 1.662 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.357 5.089 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.000 2.390 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.545 2.796 1.985 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.344 2.745 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.576 0.719 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.555 0.507 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.035 0.795 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.189 2.944 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.633 3.106 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.886 4.356 4.279 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.245 5.788 0.248 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.509 6.182 -0.948 1.00 0.00 C ATOM 1319 C LYS A 150 -2.204 5.401 -1.065 1.00 0.00 C ATOM 1320 O LYS A 150 -1.291 5.572 -0.257 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.216 7.684 -0.920 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.466 8.546 -0.868 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.149 10.005 -1.148 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.326 10.717 -1.797 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.337 12.172 -1.482 1.00 0.00 N ATOM 0 H LYS A 150 -4.038 6.349 1.074 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.127 5.955 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.594 7.908 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.638 7.950 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.190 8.183 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.931 8.456 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.888 10.507 -0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.278 10.070 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.282 10.580 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.257 10.265 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.154 12.621 -1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.404 12.304 -0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.460 12.609 -1.830 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.121 4.545 -2.079 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.926 3.740 -2.303 1.00 0.00 C ATOM 1341 C VAL A 151 -0.241 4.126 -3.609 1.00 0.00 C ATOM 1342 O VAL A 151 -0.899 4.351 -4.625 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.260 2.237 -2.337 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.014 1.406 -2.331 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.154 1.864 -1.164 1.00 0.00 C ATOM 0 H VAL A 151 -2.867 4.391 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.251 3.936 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.800 2.024 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.242 0.347 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.614 1.654 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.584 1.621 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.380 0.798 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.642 2.092 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -3.081 2.434 -1.218 1.00 0.00 H new ATOM 1355 N ALA A 152 1.086 4.201 -3.576 1.00 0.00 N ATOM 1356 CA ALA A 152 1.861 4.557 -4.758 1.00 0.00 C ATOM 1357 C ALA A 152 3.159 3.760 -4.824 1.00 0.00 C ATOM 1358 O ALA A 152 3.706 3.359 -3.796 1.00 0.00 O ATOM 1359 CB ALA A 152 2.156 6.050 -4.765 1.00 0.00 C ATOM 0 H ALA A 152 1.646 4.020 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 152 1.268 4.310 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.735 6.302 -5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.219 6.606 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.726 6.312 -3.874 1.00 0.00 H new ATOM 1365 N TYR A 153 3.646 3.532 -6.038 1.00 0.00 N ATOM 1366 CA TYR A 153 4.879 2.779 -6.238 1.00 0.00 C ATOM 1367 C TYR A 153 6.098 3.627 -5.890 1.00 0.00 C ATOM 1368 O TYR A 153 6.510 4.490 -6.666 1.00 0.00 O ATOM 1369 CB TYR A 153 4.977 2.296 -7.687 1.00 0.00 C ATOM 1370 CG TYR A 153 4.360 0.935 -7.914 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.966 -0.215 -7.424 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.169 0.799 -8.618 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.405 -1.461 -7.630 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.601 -0.443 -8.828 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.223 -1.569 -8.332 1.00 0.00 C ATOM 1376 OH TYR A 153 2.661 -2.809 -8.539 1.00 0.00 O ATOM 0 H TYR A 153 3.206 3.858 -6.899 1.00 0.00 H new ATOM 0 HA TYR A 153 4.859 1.915 -5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.487 3.021 -8.337 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.026 2.264 -7.980 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.891 -0.134 -6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.679 1.679 -9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.890 -2.345 -7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.675 -0.531 -9.377 1.00 0.00 H new ATOM 0 HH TYR A 153 2.894 -3.402 -7.794 1.00 0.00 H new ATOM 1386 N ILE A 154 6.671 3.374 -4.718 1.00 0.00 N ATOM 1387 CA ILE A 154 7.844 4.113 -4.266 1.00 0.00 C ATOM 1388 C ILE A 154 8.947 4.089 -5.319 1.00 0.00 C ATOM 1389 O ILE A 154 9.212 3.067 -5.953 1.00 0.00 O ATOM 1390 CB ILE A 154 8.396 3.540 -2.947 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.339 3.631 -1.845 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.661 4.279 -2.538 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.732 2.916 -0.571 1.00 0.00 C ATOM 0 H ILE A 154 6.342 2.663 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 154 7.525 5.142 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 154 8.645 2.490 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.150 4.681 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.403 3.211 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.040 3.863 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.415 4.168 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.436 5.336 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.936 3.022 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 154 7.893 1.859 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.651 3.351 -0.178 1.00 0.00 H new