USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 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 128 SER OG : rot 161:sc= -3.74! USER MOD Set 1.2: A 131 GLN :FLIP amide:sc= -4.81! C(o=-10!,f=-8.5!) USER MOD Set 2.1: A 82 LYS NZ :NH3+ -149:sc= -0.268 (180deg=-1.24!) USER MOD Set 2.2: A 125 THR OG1 : rot 140:sc= -0.514 USER MOD Set 3.1: A 84 GLN : amide:sc= 0 X(o=-3.4,f=-3.4) USER MOD Set 3.2: A 123 ASN : amide:sc= -3.39! C(o=-3.4!,f=-7.1!) USER MOD Single : A 87 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.2!) USER MOD Single : A 91 HIS : no HE2:sc= 0.707 K(o=0.71,f=-3!) USER MOD Single : A 93 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.6!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0066 X(o=-0.0066,f=-0.15) USER MOD Single : A 104 TYR OH : rot 180: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 X(o=0,f=-0.29) USER MOD Single : A 114 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.19) USER MOD Single : A 115 THR OG1 : rot -53:sc= 0.559 USER MOD Single : A 117 SER OG : rot 180:sc= -0.113 USER MOD Single : A 119 THR OG1 : rot -170:sc= 0 USER MOD Single : A 126 TYR OH : rot -10:sc= 0.0832 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -1.25 K(o=-1.3,f=-5!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.6!) USER MOD Single : A 143 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.3!) USER MOD Single : A 146 ASN : amide:sc= -0.0838 X(o=-0.084,f=-0.096) 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 30:sc= -0.482 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.517 -1.101 -3.289 1.00 0.00 N ATOM 238 CA LYS A 82 8.832 -0.702 -2.066 1.00 0.00 C ATOM 239 C LYS A 82 7.541 0.046 -2.384 1.00 0.00 C ATOM 240 O LYS A 82 7.427 0.692 -3.426 1.00 0.00 O ATOM 241 CB LYS A 82 9.745 0.177 -1.209 1.00 0.00 C ATOM 242 CG LYS A 82 9.383 0.174 0.266 1.00 0.00 C ATOM 243 CD LYS A 82 10.137 1.251 1.028 1.00 0.00 C ATOM 244 CE LYS A 82 11.457 0.727 1.575 1.00 0.00 C ATOM 245 NZ LYS A 82 11.269 -0.505 2.390 1.00 0.00 N ATOM 0 HA LYS A 82 8.580 -1.605 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.774 -0.164 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.705 1.200 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.310 0.331 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.609 -0.802 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.326 2.099 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.521 1.616 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.135 0.515 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.929 1.497 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.994 -0.542 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.325 -0.492 2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.357 -1.342 1.779 1.00 0.00 H new ATOM 259 N LEU A 83 6.572 -0.045 -1.480 1.00 0.00 N ATOM 260 CA LEU A 83 5.289 0.625 -1.663 1.00 0.00 C ATOM 261 C LEU A 83 4.995 1.567 -0.500 1.00 0.00 C ATOM 262 O LEU A 83 5.257 1.239 0.657 1.00 0.00 O ATOM 263 CB LEU A 83 4.167 -0.406 -1.795 1.00 0.00 C ATOM 264 CG LEU A 83 4.092 -1.150 -3.129 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.249 -2.408 -2.992 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.530 -0.244 -4.214 1.00 0.00 C ATOM 0 H LEU A 83 6.650 -0.576 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 83 5.343 1.214 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.281 -1.141 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.215 0.099 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 83 5.101 -1.444 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.207 -2.924 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.695 -3.065 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.240 -2.138 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.484 -0.790 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.528 0.081 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.175 0.627 -4.331 1.00 0.00 H new ATOM 278 N GLN A 84 4.449 2.737 -0.816 1.00 0.00 N ATOM 279 CA GLN A 84 4.118 3.725 0.203 1.00 0.00 C ATOM 280 C GLN A 84 2.609 3.809 0.411 1.00 0.00 C ATOM 281 O GLN A 84 1.851 3.991 -0.543 1.00 0.00 O ATOM 282 CB GLN A 84 4.668 5.098 -0.190 1.00 0.00 C ATOM 283 CG GLN A 84 4.175 6.228 0.700 1.00 0.00 C ATOM 284 CD GLN A 84 5.135 7.401 0.739 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.939 8.401 0.048 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.181 7.283 1.549 1.00 0.00 N ATOM 0 H GLN A 84 4.227 3.023 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 84 4.578 3.411 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.757 5.068 -0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.388 5.311 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.204 6.570 0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.027 5.851 1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.304 6.436 2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.862 8.040 1.617 1.00 0.00 H new ATOM 295 N ILE A 85 2.181 3.676 1.661 1.00 0.00 N ATOM 296 CA ILE A 85 0.763 3.738 1.993 1.00 0.00 C ATOM 297 C ILE A 85 0.453 4.957 2.855 1.00 0.00 C ATOM 298 O ILE A 85 1.100 5.189 3.876 1.00 0.00 O ATOM 299 CB ILE A 85 0.303 2.469 2.734 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.653 1.221 1.921 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.193 2.527 3.006 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.133 -0.063 2.529 1.00 0.00 C ATOM 0 H ILE A 85 2.795 3.525 2.461 1.00 0.00 H new ATOM 0 HA ILE A 85 0.221 3.815 1.050 1.00 0.00 H new ATOM 0 HB ILE A 85 0.825 2.416 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.247 1.327 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.736 1.154 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.503 1.623 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.417 3.398 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.732 2.601 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.419 -0.906 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.559 -0.193 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.954 -0.017 2.602 1.00 0.00 H new ATOM 314 N ARG A 86 -0.543 5.732 2.437 1.00 0.00 N ATOM 315 CA ARG A 86 -0.940 6.928 3.170 1.00 0.00 C ATOM 316 C ARG A 86 -2.456 6.988 3.332 1.00 0.00 C ATOM 317 O ARG A 86 -3.169 6.068 2.934 1.00 0.00 O ATOM 318 CB ARG A 86 -0.442 8.183 2.451 1.00 0.00 C ATOM 319 CG ARG A 86 1.072 8.270 2.355 1.00 0.00 C ATOM 320 CD ARG A 86 1.507 9.318 1.342 1.00 0.00 C ATOM 321 NE ARG A 86 1.003 9.026 0.003 1.00 0.00 N ATOM 322 CZ ARG A 86 -0.171 9.453 -0.450 1.00 0.00 C ATOM 323 NH1 ARG A 86 -0.956 10.188 0.326 1.00 0.00 N ATOM 324 NH2 ARG A 86 -0.560 9.147 -1.681 1.00 0.00 N ATOM 0 H ARG A 86 -1.090 5.553 1.595 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.488 6.883 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.863 8.207 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.816 9.063 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.486 8.514 3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.476 7.298 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.150 10.298 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.596 9.368 1.317 1.00 0.00 H new ATOM 0 HE ARG A 86 1.584 8.463 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.659 10.426 1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.857 10.515 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.042 8.583 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.461 9.475 -2.027 1.00 0.00 H new ATOM 338 N ASN A 87 -2.940 8.078 3.918 1.00 0.00 N ATOM 339 CA ASN A 87 -4.372 8.258 4.133 1.00 0.00 C ATOM 340 C ASN A 87 -4.919 7.187 5.072 1.00 0.00 C ATOM 341 O ASN A 87 -6.064 6.754 4.934 1.00 0.00 O ATOM 342 CB ASN A 87 -5.119 8.213 2.799 1.00 0.00 C ATOM 343 CG ASN A 87 -5.292 9.589 2.186 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.342 10.368 2.104 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.509 9.895 1.753 1.00 0.00 N ATOM 0 H ASN A 87 -2.363 8.850 4.252 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.526 9.234 4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.576 7.574 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.099 7.760 2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.686 10.807 1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.267 9.218 1.841 1.00 0.00 H new ATOM 352 N ILE A 88 -4.096 6.767 6.026 1.00 0.00 N ATOM 353 CA ILE A 88 -4.498 5.749 6.988 1.00 0.00 C ATOM 354 C ILE A 88 -4.994 6.383 8.284 1.00 0.00 C ATOM 355 O ILE A 88 -4.381 7.300 8.830 1.00 0.00 O ATOM 356 CB ILE A 88 -3.338 4.789 7.311 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.842 4.106 6.035 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.776 3.754 8.337 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.495 3.437 6.192 1.00 0.00 C ATOM 0 H ILE A 88 -3.146 7.116 6.154 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.309 5.184 6.528 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.516 5.366 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.574 3.361 5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.780 4.846 5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.945 3.083 8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.085 4.258 9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.612 3.179 7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.207 2.974 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.750 4.181 6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.556 2.673 6.967 1.00 0.00 H new ATOM 371 N PRO A 89 -6.131 5.882 8.789 1.00 0.00 N ATOM 372 CA PRO A 89 -6.734 6.382 10.028 1.00 0.00 C ATOM 373 C PRO A 89 -5.912 6.021 11.261 1.00 0.00 C ATOM 374 O PRO A 89 -5.515 4.872 11.457 1.00 0.00 O ATOM 375 CB PRO A 89 -8.095 5.682 10.069 1.00 0.00 C ATOM 376 CG PRO A 89 -7.905 4.440 9.269 1.00 0.00 C ATOM 377 CD PRO A 89 -6.915 4.788 8.191 1.00 0.00 C ATOM 0 HA PRO A 89 -6.798 7.470 10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.392 5.452 11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.877 6.311 9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.533 3.627 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.849 4.105 8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.285 3.936 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.413 5.105 7.275 1.00 0.00 H new ATOM 385 N PRO A 90 -5.649 7.024 12.112 1.00 0.00 N ATOM 386 CA PRO A 90 -4.872 6.835 13.341 1.00 0.00 C ATOM 387 C PRO A 90 -5.626 6.016 14.383 1.00 0.00 C ATOM 388 O PRO A 90 -5.134 5.800 15.492 1.00 0.00 O ATOM 389 CB PRO A 90 -4.649 8.264 13.842 1.00 0.00 C ATOM 390 CG PRO A 90 -5.782 9.046 13.272 1.00 0.00 C ATOM 391 CD PRO A 90 -6.091 8.418 11.942 1.00 0.00 C ATOM 0 HA PRO A 90 -3.949 6.283 13.160 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.647 8.306 14.931 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.689 8.656 13.506 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.650 9.012 13.931 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.512 10.095 13.155 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.154 8.477 11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.557 8.913 11.130 1.00 0.00 H new ATOM 399 N HIS A 91 -6.821 5.562 14.021 1.00 0.00 N ATOM 400 CA HIS A 91 -7.642 4.765 14.926 1.00 0.00 C ATOM 401 C HIS A 91 -7.346 3.277 14.761 1.00 0.00 C ATOM 402 O HIS A 91 -7.123 2.565 15.741 1.00 0.00 O ATOM 403 CB HIS A 91 -9.126 5.032 14.671 1.00 0.00 C ATOM 404 CG HIS A 91 -9.441 6.476 14.424 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.445 6.893 13.576 1.00 0.00 N ATOM 406 CD2 HIS A 91 -8.878 7.602 14.922 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.485 8.213 13.561 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.545 8.668 14.370 1.00 0.00 N ATOM 0 H HIS A 91 -7.243 5.732 13.108 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.398 5.055 15.948 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.450 4.446 13.811 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.702 4.684 15.529 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.061 6.278 13.044 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.058 7.652 15.623 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.170 8.818 12.985 1.00 0.00 H new ATOM 416 N LEU A 92 -7.345 2.814 13.516 1.00 0.00 N ATOM 417 CA LEU A 92 -7.077 1.410 13.222 1.00 0.00 C ATOM 418 C LEU A 92 -5.930 0.884 14.080 1.00 0.00 C ATOM 419 O LEU A 92 -5.072 1.648 14.520 1.00 0.00 O ATOM 420 CB LEU A 92 -6.742 1.234 11.740 1.00 0.00 C ATOM 421 CG LEU A 92 -6.681 -0.207 11.232 1.00 0.00 C ATOM 422 CD1 LEU A 92 -8.021 -0.625 10.648 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.575 -0.362 10.199 1.00 0.00 C ATOM 0 H LEU A 92 -7.527 3.390 12.694 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.974 0.837 13.456 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.486 1.774 11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.779 1.707 11.547 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.457 -0.860 12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.958 -1.653 10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.791 -0.554 11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.276 0.032 9.817 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.546 -1.394 9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.768 0.302 9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.617 -0.105 10.651 1.00 0.00 H new ATOM 435 N GLN A 93 -5.923 -0.425 14.310 1.00 0.00 N ATOM 436 CA GLN A 93 -4.881 -1.053 15.114 1.00 0.00 C ATOM 437 C GLN A 93 -3.912 -1.835 14.234 1.00 0.00 C ATOM 438 O GLN A 93 -4.327 -2.611 13.373 1.00 0.00 O ATOM 439 CB GLN A 93 -5.503 -1.982 16.158 1.00 0.00 C ATOM 440 CG GLN A 93 -6.153 -1.245 17.318 1.00 0.00 C ATOM 441 CD GLN A 93 -5.142 -0.744 18.331 1.00 0.00 C ATOM 442 OE1 GLN A 93 -4.013 -0.400 17.980 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.543 -0.699 19.596 1.00 0.00 N ATOM 0 H GLN A 93 -6.626 -1.071 13.951 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.326 -0.265 15.624 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.250 -2.611 15.674 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.731 -2.646 16.547 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.724 -0.401 16.933 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.861 -1.909 17.814 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.488 -0.994 19.842 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.906 -0.370 20.321 1.00 0.00 H new ATOM 452 N TRP A 94 -2.619 -1.624 14.454 1.00 0.00 N ATOM 453 CA TRP A 94 -1.590 -2.309 13.680 1.00 0.00 C ATOM 454 C TRP A 94 -1.943 -3.780 13.488 1.00 0.00 C ATOM 455 O TRP A 94 -2.010 -4.269 12.360 1.00 0.00 O ATOM 456 CB TRP A 94 -0.233 -2.184 14.374 1.00 0.00 C ATOM 457 CG TRP A 94 0.928 -2.325 13.437 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.598 -3.474 13.128 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.557 -1.278 12.688 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.605 -3.205 12.233 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.600 -1.866 11.946 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.338 0.097 12.570 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.422 -1.124 11.102 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.154 0.832 11.732 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.185 0.221 11.006 1.00 0.00 C ATOM 0 H TRP A 94 -2.258 -0.984 15.162 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.533 -1.837 12.699 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.175 -1.215 14.870 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.159 -2.945 15.151 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.370 -4.451 13.528 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.252 -3.892 11.845 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.545 0.577 13.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.218 -1.593 10.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 1.995 1.896 11.635 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.805 0.823 10.358 1.00 0.00 H new ATOM 476 N GLU A 95 -2.168 -4.480 14.595 1.00 0.00 N ATOM 477 CA GLU A 95 -2.513 -5.896 14.546 1.00 0.00 C ATOM 478 C GLU A 95 -3.430 -6.192 13.363 1.00 0.00 C ATOM 479 O GLU A 95 -3.272 -7.202 12.678 1.00 0.00 O ATOM 480 CB GLU A 95 -3.190 -6.324 15.850 1.00 0.00 C ATOM 481 CG GLU A 95 -4.470 -5.562 16.150 1.00 0.00 C ATOM 482 CD GLU A 95 -5.266 -6.180 17.283 1.00 0.00 C ATOM 483 OE1 GLU A 95 -5.579 -7.387 17.198 1.00 0.00 O ATOM 484 OE2 GLU A 95 -5.575 -5.459 18.254 1.00 0.00 O ATOM 0 H GLU A 95 -2.118 -4.090 15.536 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.591 -6.464 14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.415 -7.389 15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.492 -6.184 16.675 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.223 -4.531 16.405 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.088 -5.530 15.253 1.00 0.00 H new ATOM 491 N VAL A 96 -4.390 -5.303 13.129 1.00 0.00 N ATOM 492 CA VAL A 96 -5.333 -5.467 12.029 1.00 0.00 C ATOM 493 C VAL A 96 -4.645 -5.273 10.682 1.00 0.00 C ATOM 494 O VAL A 96 -4.837 -6.062 9.756 1.00 0.00 O ATOM 495 CB VAL A 96 -6.505 -4.474 12.142 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.458 -4.637 10.967 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.237 -4.662 13.462 1.00 0.00 C ATOM 0 H VAL A 96 -4.535 -4.461 13.687 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.720 -6.484 12.093 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.104 -3.461 12.116 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.280 -3.927 11.064 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.923 -4.448 10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.855 -5.652 10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.062 -3.952 13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.627 -5.678 13.520 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.547 -4.491 14.288 1.00 0.00 H new ATOM 507 N LEU A 97 -3.842 -4.220 10.580 1.00 0.00 N ATOM 508 CA LEU A 97 -3.124 -3.922 9.346 1.00 0.00 C ATOM 509 C LEU A 97 -2.327 -5.134 8.874 1.00 0.00 C ATOM 510 O LEU A 97 -2.511 -5.613 7.755 1.00 0.00 O ATOM 511 CB LEU A 97 -2.188 -2.730 9.553 1.00 0.00 C ATOM 512 CG LEU A 97 -1.473 -2.213 8.304 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.470 -1.596 7.335 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.399 -1.204 8.683 1.00 0.00 C ATOM 0 H LEU A 97 -3.672 -3.558 11.337 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.857 -3.671 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.765 -1.911 9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.434 -3.009 10.289 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.991 -3.056 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.943 -1.234 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.201 -2.348 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.981 -0.764 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.099 -0.847 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.858 -0.362 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.332 -1.679 9.337 1.00 0.00 H new ATOM 526 N ASP A 98 -1.443 -5.625 9.735 1.00 0.00 N ATOM 527 CA ASP A 98 -0.619 -6.784 9.408 1.00 0.00 C ATOM 528 C ASP A 98 -1.413 -7.803 8.597 1.00 0.00 C ATOM 529 O ASP A 98 -0.958 -8.270 7.552 1.00 0.00 O ATOM 530 CB ASP A 98 -0.085 -7.434 10.685 1.00 0.00 C ATOM 531 CG ASP A 98 1.246 -8.125 10.469 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.288 -7.441 10.543 1.00 0.00 O ATOM 533 OD2 ASP A 98 1.247 -9.351 10.226 1.00 0.00 O ATOM 0 H ASP A 98 -1.278 -5.239 10.665 1.00 0.00 H new ATOM 0 HA ASP A 98 0.222 -6.442 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.025 -6.673 11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.812 -8.159 11.052 1.00 0.00 H new ATOM 538 N SER A 99 -2.601 -8.144 9.085 1.00 0.00 N ATOM 539 CA SER A 99 -3.457 -9.112 8.408 1.00 0.00 C ATOM 540 C SER A 99 -3.825 -8.626 7.010 1.00 0.00 C ATOM 541 O SER A 99 -3.671 -9.353 6.027 1.00 0.00 O ATOM 542 CB SER A 99 -4.726 -9.361 9.225 1.00 0.00 C ATOM 543 OG SER A 99 -4.441 -10.104 10.397 1.00 0.00 O ATOM 0 H SER A 99 -2.993 -7.765 9.947 1.00 0.00 H new ATOM 0 HA SER A 99 -2.905 -10.047 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.180 -8.408 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.453 -9.899 8.617 1.00 0.00 H new ATOM 0 HG SER A 99 -5.268 -10.248 10.902 1.00 0.00 H new ATOM 549 N LEU A 100 -4.313 -7.394 6.928 1.00 0.00 N ATOM 550 CA LEU A 100 -4.704 -6.809 5.650 1.00 0.00 C ATOM 551 C LEU A 100 -3.556 -6.870 4.648 1.00 0.00 C ATOM 552 O LEU A 100 -3.771 -7.063 3.451 1.00 0.00 O ATOM 553 CB LEU A 100 -5.149 -5.358 5.845 1.00 0.00 C ATOM 554 CG LEU A 100 -6.574 -5.157 6.362 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.758 -3.740 6.883 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.586 -5.460 5.267 1.00 0.00 C ATOM 0 H LEU A 100 -4.448 -6.780 7.731 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.538 -7.389 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.460 -4.878 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.053 -4.838 4.892 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.742 -5.850 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.778 -3.616 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.057 -3.558 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.571 -3.029 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.595 -5.312 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.419 -4.792 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.471 -6.494 4.941 1.00 0.00 H new ATOM 568 N LEU A 101 -2.335 -6.707 5.146 1.00 0.00 N ATOM 569 CA LEU A 101 -1.150 -6.746 4.295 1.00 0.00 C ATOM 570 C LEU A 101 -0.910 -8.154 3.761 1.00 0.00 C ATOM 571 O LEU A 101 -0.952 -8.387 2.553 1.00 0.00 O ATOM 572 CB LEU A 101 0.077 -6.266 5.073 1.00 0.00 C ATOM 573 CG LEU A 101 -0.051 -4.903 5.754 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.172 -4.619 6.612 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.245 -3.806 4.718 1.00 0.00 C ATOM 0 H LEU A 101 -2.139 -6.547 6.134 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.318 -6.080 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.313 -7.009 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.925 -6.230 4.389 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.927 -4.922 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.064 -3.645 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.266 -5.389 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.064 -4.619 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.334 -2.843 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.612 -3.786 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.152 -4.002 4.146 1.00 0.00 H new ATOM 587 N VAL A 102 -0.658 -9.091 4.670 1.00 0.00 N ATOM 588 CA VAL A 102 -0.414 -10.478 4.291 1.00 0.00 C ATOM 589 C VAL A 102 -1.620 -11.071 3.571 1.00 0.00 C ATOM 590 O VAL A 102 -1.532 -12.143 2.974 1.00 0.00 O ATOM 591 CB VAL A 102 -0.085 -11.346 5.520 1.00 0.00 C ATOM 592 CG1 VAL A 102 1.285 -10.989 6.075 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.159 -11.188 6.585 1.00 0.00 C ATOM 0 H VAL A 102 -0.618 -8.915 5.674 1.00 0.00 H new ATOM 0 HA VAL A 102 0.443 -10.476 3.617 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.063 -12.391 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.500 -11.613 6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.043 -11.158 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.296 -9.940 6.371 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.911 -11.808 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.215 -10.144 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.122 -11.499 6.180 1.00 0.00 H new ATOM 603 N GLN A 103 -2.745 -10.365 3.631 1.00 0.00 N ATOM 604 CA GLN A 103 -3.969 -10.823 2.985 1.00 0.00 C ATOM 605 C GLN A 103 -3.847 -10.739 1.467 1.00 0.00 C ATOM 606 O GLN A 103 -4.389 -11.575 0.743 1.00 0.00 O ATOM 607 CB GLN A 103 -5.162 -9.993 3.459 1.00 0.00 C ATOM 608 CG GLN A 103 -5.831 -10.546 4.707 1.00 0.00 C ATOM 609 CD GLN A 103 -6.911 -11.562 4.389 1.00 0.00 C ATOM 610 OE1 GLN A 103 -7.830 -11.287 3.617 1.00 0.00 O ATOM 611 NE2 GLN A 103 -6.806 -12.744 4.984 1.00 0.00 N ATOM 0 H GLN A 103 -2.834 -9.474 4.120 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.128 -11.865 3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.829 -8.974 3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.898 -9.938 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.077 -11.010 5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.267 -9.724 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.028 -12.929 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.504 -13.467 4.808 1.00 0.00 H new ATOM 620 N TYR A 104 -3.133 -9.725 0.991 1.00 0.00 N ATOM 621 CA TYR A 104 -2.942 -9.530 -0.441 1.00 0.00 C ATOM 622 C TYR A 104 -1.819 -10.418 -0.967 1.00 0.00 C ATOM 623 O TYR A 104 -1.978 -11.111 -1.971 1.00 0.00 O ATOM 624 CB TYR A 104 -2.630 -8.063 -0.740 1.00 0.00 C ATOM 625 CG TYR A 104 -3.769 -7.123 -0.414 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.833 -6.958 -1.291 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.780 -6.399 0.772 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.875 -6.100 -0.998 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.819 -5.540 1.075 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.864 -5.393 0.187 1.00 0.00 C ATOM 631 OH TYR A 104 -6.900 -4.539 0.484 1.00 0.00 O ATOM 0 H TYR A 104 -2.677 -9.025 1.576 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.867 -9.808 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.749 -7.764 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.377 -7.962 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.846 -7.511 -2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.962 -6.510 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.694 -5.983 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.813 -4.987 2.002 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.739 -4.120 1.355 1.00 0.00 H new ATOM 641 N GLY A 105 -0.681 -10.391 -0.280 1.00 0.00 N ATOM 642 CA GLY A 105 0.454 -11.197 -0.691 1.00 0.00 C ATOM 643 C GLY A 105 1.430 -11.445 0.442 1.00 0.00 C ATOM 644 O GLY A 105 1.093 -11.266 1.612 1.00 0.00 O ATOM 0 H GLY A 105 -0.525 -9.825 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.097 -12.153 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.972 -10.698 -1.510 1.00 0.00 H new ATOM 648 N VAL A 106 2.644 -11.860 0.094 1.00 0.00 N ATOM 649 CA VAL A 106 3.672 -12.135 1.091 1.00 0.00 C ATOM 650 C VAL A 106 4.523 -10.898 1.357 1.00 0.00 C ATOM 651 O VAL A 106 5.504 -10.644 0.658 1.00 0.00 O ATOM 652 CB VAL A 106 4.590 -13.290 0.647 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.678 -13.534 1.682 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.777 -14.553 0.408 1.00 0.00 C ATOM 0 H VAL A 106 2.940 -12.013 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 106 3.156 -12.422 2.007 1.00 0.00 H new ATOM 0 HB VAL A 106 5.070 -13.011 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.317 -14.353 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.277 -12.631 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.220 -13.793 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.441 -15.359 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.269 -14.838 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.038 -14.368 -0.372 1.00 0.00 H new ATOM 664 N VAL A 107 4.141 -10.130 2.373 1.00 0.00 N ATOM 665 CA VAL A 107 4.869 -8.920 2.733 1.00 0.00 C ATOM 666 C VAL A 107 6.224 -9.256 3.347 1.00 0.00 C ATOM 667 O VAL A 107 6.299 -9.872 4.409 1.00 0.00 O ATOM 668 CB VAL A 107 4.068 -8.057 3.726 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.603 -8.895 4.908 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.901 -6.874 4.196 1.00 0.00 C ATOM 0 H VAL A 107 3.331 -10.325 2.961 1.00 0.00 H new ATOM 0 HA VAL A 107 5.020 -8.356 1.813 1.00 0.00 H new ATOM 0 HB VAL A 107 3.186 -7.671 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.039 -8.268 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.967 -9.706 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.469 -9.312 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.319 -6.275 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.802 -7.237 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.179 -6.261 3.339 1.00 0.00 H new ATOM 680 N GLU A 108 7.292 -8.846 2.670 1.00 0.00 N ATOM 681 CA GLU A 108 8.645 -9.104 3.149 1.00 0.00 C ATOM 682 C GLU A 108 8.910 -8.362 4.456 1.00 0.00 C ATOM 683 O GLU A 108 9.417 -8.939 5.418 1.00 0.00 O ATOM 684 CB GLU A 108 9.672 -8.686 2.095 1.00 0.00 C ATOM 685 CG GLU A 108 10.955 -9.498 2.140 1.00 0.00 C ATOM 686 CD GLU A 108 11.632 -9.445 3.496 1.00 0.00 C ATOM 687 OE1 GLU A 108 12.366 -8.470 3.756 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.426 -10.381 4.298 1.00 0.00 O ATOM 0 H GLU A 108 7.247 -8.334 1.789 1.00 0.00 H new ATOM 0 HA GLU A 108 8.740 -10.174 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.225 -8.783 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.914 -7.632 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.733 -10.535 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.642 -9.126 1.380 1.00 0.00 H new ATOM 695 N SER A 109 8.563 -7.079 4.482 1.00 0.00 N ATOM 696 CA SER A 109 8.767 -6.256 5.668 1.00 0.00 C ATOM 697 C SER A 109 7.879 -5.016 5.629 1.00 0.00 C ATOM 698 O SER A 109 7.668 -4.424 4.570 1.00 0.00 O ATOM 699 CB SER A 109 10.236 -5.841 5.781 1.00 0.00 C ATOM 700 OG SER A 109 10.525 -5.334 7.072 1.00 0.00 O ATOM 0 H SER A 109 8.139 -6.587 3.695 1.00 0.00 H new ATOM 0 HA SER A 109 8.496 -6.849 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.876 -6.698 5.572 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.462 -5.084 5.030 1.00 0.00 H new ATOM 0 HG SER A 109 11.470 -5.078 7.119 1.00 0.00 H new ATOM 706 N CYS A 110 7.361 -4.631 6.789 1.00 0.00 N ATOM 707 CA CYS A 110 6.494 -3.462 6.889 1.00 0.00 C ATOM 708 C CYS A 110 7.157 -2.362 7.712 1.00 0.00 C ATOM 709 O CYS A 110 7.136 -2.395 8.941 1.00 0.00 O ATOM 710 CB CYS A 110 5.154 -3.847 7.517 1.00 0.00 C ATOM 711 SG CYS A 110 4.020 -2.458 7.750 1.00 0.00 S ATOM 0 H CYS A 110 7.526 -5.111 7.674 1.00 0.00 H new ATOM 0 HA CYS A 110 6.320 -3.083 5.882 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.671 -4.594 6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.339 -4.316 8.483 1.00 0.00 H new ATOM 0 HG CYS A 110 2.915 -2.885 8.285 1.00 0.00 H new ATOM 717 N GLU A 111 7.746 -1.389 7.023 1.00 0.00 N ATOM 718 CA GLU A 111 8.417 -0.280 7.691 1.00 0.00 C ATOM 719 C GLU A 111 7.444 0.865 7.956 1.00 0.00 C ATOM 720 O GLU A 111 6.438 1.011 7.262 1.00 0.00 O ATOM 721 CB GLU A 111 9.590 0.219 6.845 1.00 0.00 C ATOM 722 CG GLU A 111 10.535 1.141 7.597 1.00 0.00 C ATOM 723 CD GLU A 111 11.513 0.384 8.475 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.000 -0.680 8.038 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.791 0.855 9.597 1.00 0.00 O ATOM 0 H GLU A 111 7.772 -1.346 6.004 1.00 0.00 H new ATOM 0 HA GLU A 111 8.795 -0.641 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.151 -0.639 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.200 0.745 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.090 1.748 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.954 1.826 8.214 1.00 0.00 H new ATOM 732 N GLN A 112 7.751 1.673 8.966 1.00 0.00 N ATOM 733 CA GLN A 112 6.903 2.804 9.324 1.00 0.00 C ATOM 734 C GLN A 112 7.427 4.095 8.704 1.00 0.00 C ATOM 735 O GLN A 112 8.625 4.235 8.456 1.00 0.00 O ATOM 736 CB GLN A 112 6.826 2.949 10.845 1.00 0.00 C ATOM 737 CG GLN A 112 5.610 3.728 11.321 1.00 0.00 C ATOM 738 CD GLN A 112 5.137 3.290 12.693 1.00 0.00 C ATOM 739 OE1 GLN A 112 5.931 2.851 13.525 1.00 0.00 O ATOM 740 NE2 GLN A 112 3.836 3.407 12.936 1.00 0.00 N ATOM 0 H GLN A 112 8.580 1.565 9.550 1.00 0.00 H new ATOM 0 HA GLN A 112 5.903 2.615 8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.811 1.957 11.296 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.728 3.447 11.200 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.851 4.791 11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.799 3.602 10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.214 3.776 12.217 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.459 3.128 13.842 1.00 0.00 H new ATOM 749 N VAL A 113 6.522 5.036 8.456 1.00 0.00 N ATOM 750 CA VAL A 113 6.893 6.317 7.866 1.00 0.00 C ATOM 751 C VAL A 113 5.952 7.426 8.322 1.00 0.00 C ATOM 752 O VAL A 113 4.842 7.162 8.783 1.00 0.00 O ATOM 753 CB VAL A 113 6.881 6.250 6.327 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.280 7.591 5.731 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.802 5.144 5.835 1.00 0.00 C ATOM 0 H VAL A 113 5.527 4.936 8.654 1.00 0.00 H new ATOM 0 HA VAL A 113 7.904 6.540 8.206 1.00 0.00 H new ATOM 0 HB VAL A 113 5.867 6.021 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.266 7.524 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.577 8.358 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.284 7.854 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.781 5.111 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.820 5.341 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.466 4.187 6.234 1.00 0.00 H new ATOM 765 N ASN A 114 6.404 8.669 8.191 1.00 0.00 N ATOM 766 CA ASN A 114 5.602 9.820 8.591 1.00 0.00 C ATOM 767 C ASN A 114 5.749 10.960 7.588 1.00 0.00 C ATOM 768 O ASN A 114 6.797 11.603 7.512 1.00 0.00 O ATOM 769 CB ASN A 114 6.014 10.295 9.986 1.00 0.00 C ATOM 770 CG ASN A 114 6.520 9.162 10.857 1.00 0.00 C ATOM 771 OD1 ASN A 114 5.763 8.568 11.624 1.00 0.00 O ATOM 772 ND2 ASN A 114 7.808 8.857 10.741 1.00 0.00 N ATOM 0 H ASN A 114 7.321 8.905 7.811 1.00 0.00 H new ATOM 0 HA ASN A 114 4.556 9.513 8.614 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.791 11.053 9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.161 10.770 10.472 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.206 8.103 11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.399 9.377 10.092 1.00 0.00 H new ATOM 779 N THR A 115 4.692 11.207 6.821 1.00 0.00 N ATOM 780 CA THR A 115 4.703 12.268 5.822 1.00 0.00 C ATOM 781 C THR A 115 4.218 13.586 6.416 1.00 0.00 C ATOM 782 O THR A 115 3.548 14.371 5.745 1.00 0.00 O ATOM 783 CB THR A 115 3.823 11.909 4.610 1.00 0.00 C ATOM 784 OG1 THR A 115 4.032 12.855 3.556 1.00 0.00 O ATOM 785 CG2 THR A 115 2.352 11.890 4.997 1.00 0.00 C ATOM 0 H THR A 115 3.817 10.686 6.873 1.00 0.00 H new ATOM 0 HA THR A 115 5.735 12.379 5.490 1.00 0.00 H new ATOM 0 HB THR A 115 4.105 10.914 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.896 13.763 3.899 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.750 11.634 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.191 11.148 5.780 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.060 12.874 5.364 1.00 0.00 H new ATOM 793 N ASP A 116 4.561 13.823 7.677 1.00 0.00 N ATOM 794 CA ASP A 116 4.162 15.048 8.361 1.00 0.00 C ATOM 795 C ASP A 116 2.657 15.270 8.242 1.00 0.00 C ATOM 796 O ASP A 116 2.200 16.395 8.037 1.00 0.00 O ATOM 797 CB ASP A 116 4.914 16.248 7.784 1.00 0.00 C ATOM 798 CG ASP A 116 4.956 17.421 8.744 1.00 0.00 C ATOM 799 OD1 ASP A 116 5.228 17.198 9.942 1.00 0.00 O ATOM 800 OD2 ASP A 116 4.715 18.562 8.297 1.00 0.00 O ATOM 0 H ASP A 116 5.115 13.183 8.247 1.00 0.00 H new ATOM 0 HA ASP A 116 4.414 14.945 9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.932 15.949 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.437 16.560 6.855 1.00 0.00 H new ATOM 805 N SER A 117 1.892 14.191 8.371 1.00 0.00 N ATOM 806 CA SER A 117 0.439 14.268 8.273 1.00 0.00 C ATOM 807 C SER A 117 -0.223 13.553 9.447 1.00 0.00 C ATOM 808 O SER A 117 0.403 12.737 10.123 1.00 0.00 O ATOM 809 CB SER A 117 -0.037 13.655 6.954 1.00 0.00 C ATOM 810 OG SER A 117 0.277 14.496 5.858 1.00 0.00 O ATOM 0 H SER A 117 2.254 13.253 8.544 1.00 0.00 H new ATOM 0 HA SER A 117 0.152 15.319 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.429 12.680 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.114 13.491 6.993 1.00 0.00 H new ATOM 0 HG SER A 117 -0.036 14.081 5.027 1.00 0.00 H new ATOM 816 N GLU A 118 -1.492 13.868 9.684 1.00 0.00 N ATOM 817 CA GLU A 118 -2.239 13.258 10.777 1.00 0.00 C ATOM 818 C GLU A 118 -2.399 11.756 10.555 1.00 0.00 C ATOM 819 O GLU A 118 -2.102 10.951 11.437 1.00 0.00 O ATOM 820 CB GLU A 118 -3.615 13.914 10.914 1.00 0.00 C ATOM 821 CG GLU A 118 -3.580 15.257 11.624 1.00 0.00 C ATOM 822 CD GLU A 118 -4.948 15.906 11.709 1.00 0.00 C ATOM 823 OE1 GLU A 118 -5.367 16.538 10.717 1.00 0.00 O ATOM 824 OE2 GLU A 118 -5.598 15.784 12.768 1.00 0.00 O ATOM 0 H GLU A 118 -2.024 14.542 9.134 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.677 13.414 11.698 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.045 14.048 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.277 13.241 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.183 15.122 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.897 15.924 11.098 1.00 0.00 H new ATOM 831 N THR A 119 -2.873 11.387 9.369 1.00 0.00 N ATOM 832 CA THR A 119 -3.075 9.984 9.030 1.00 0.00 C ATOM 833 C THR A 119 -1.774 9.198 9.145 1.00 0.00 C ATOM 834 O THR A 119 -0.689 9.743 8.946 1.00 0.00 O ATOM 835 CB THR A 119 -3.632 9.826 7.602 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.776 10.489 6.666 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.039 10.398 7.504 1.00 0.00 C ATOM 0 H THR A 119 -3.124 12.041 8.627 1.00 0.00 H new ATOM 0 HA THR A 119 -3.800 9.588 9.741 1.00 0.00 H new ATOM 0 HB THR A 119 -3.672 8.762 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.213 10.521 5.789 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.412 10.275 6.487 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.695 9.871 8.197 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.019 11.458 7.758 1.00 0.00 H new ATOM 845 N ALA A 120 -1.891 7.914 9.467 1.00 0.00 N ATOM 846 CA ALA A 120 -0.724 7.052 9.606 1.00 0.00 C ATOM 847 C ALA A 120 -0.101 6.748 8.247 1.00 0.00 C ATOM 848 O ALA A 120 -0.802 6.649 7.240 1.00 0.00 O ATOM 849 CB ALA A 120 -1.103 5.760 10.315 1.00 0.00 C ATOM 0 H ALA A 120 -2.782 7.448 9.636 1.00 0.00 H new ATOM 0 HA ALA A 120 0.017 7.580 10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.222 5.126 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.495 5.990 11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.864 5.237 9.736 1.00 0.00 H new ATOM 855 N VAL A 121 1.220 6.600 8.227 1.00 0.00 N ATOM 856 CA VAL A 121 1.937 6.307 6.992 1.00 0.00 C ATOM 857 C VAL A 121 2.927 5.164 7.189 1.00 0.00 C ATOM 858 O VAL A 121 3.673 5.137 8.168 1.00 0.00 O ATOM 859 CB VAL A 121 2.695 7.545 6.476 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.391 7.235 5.159 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.747 8.724 6.323 1.00 0.00 C ATOM 0 H VAL A 121 1.815 6.678 9.052 1.00 0.00 H new ATOM 0 HA VAL A 121 1.190 6.014 6.254 1.00 0.00 H new ATOM 0 HB VAL A 121 3.457 7.814 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.921 8.121 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.102 6.422 5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.650 6.940 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.299 9.590 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.961 8.469 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.301 8.960 7.289 1.00 0.00 H new ATOM 871 N VAL A 122 2.929 4.222 6.252 1.00 0.00 N ATOM 872 CA VAL A 122 3.828 3.076 6.321 1.00 0.00 C ATOM 873 C VAL A 122 4.248 2.622 4.928 1.00 0.00 C ATOM 874 O VAL A 122 3.628 2.990 3.931 1.00 0.00 O ATOM 875 CB VAL A 122 3.174 1.893 7.059 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.874 2.264 8.503 1.00 0.00 C ATOM 877 CG2 VAL A 122 1.908 1.451 6.340 1.00 0.00 C ATOM 0 H VAL A 122 2.318 4.230 5.435 1.00 0.00 H new ATOM 0 HA VAL A 122 4.709 3.398 6.876 1.00 0.00 H new ATOM 0 HB VAL A 122 3.874 1.058 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.412 1.416 9.008 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.802 2.528 9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.193 3.115 8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.459 0.614 6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.201 2.280 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.155 1.141 5.325 1.00 0.00 H new ATOM 887 N ASN A 123 5.306 1.821 4.866 1.00 0.00 N ATOM 888 CA ASN A 123 5.810 1.316 3.594 1.00 0.00 C ATOM 889 C ASN A 123 5.759 -0.209 3.555 1.00 0.00 C ATOM 890 O ASN A 123 6.346 -0.882 4.402 1.00 0.00 O ATOM 891 CB ASN A 123 7.245 1.795 3.364 1.00 0.00 C ATOM 892 CG ASN A 123 7.306 3.242 2.913 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.306 3.809 2.475 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.484 3.845 3.020 1.00 0.00 N ATOM 0 H ASN A 123 5.831 1.507 5.682 1.00 0.00 H new ATOM 0 HA ASN A 123 5.172 1.704 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.816 1.680 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.720 1.163 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.587 4.818 2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.286 3.335 3.389 1.00 0.00 H new ATOM 901 N VAL A 124 5.052 -0.746 2.566 1.00 0.00 N ATOM 902 CA VAL A 124 4.924 -2.191 2.415 1.00 0.00 C ATOM 903 C VAL A 124 5.912 -2.725 1.384 1.00 0.00 C ATOM 904 O VAL A 124 5.974 -2.236 0.255 1.00 0.00 O ATOM 905 CB VAL A 124 3.497 -2.587 1.995 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.389 -4.095 1.827 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.483 -2.083 3.012 1.00 0.00 C ATOM 0 H VAL A 124 4.559 -0.203 1.857 1.00 0.00 H new ATOM 0 HA VAL A 124 5.144 -2.632 3.387 1.00 0.00 H new ATOM 0 HB VAL A 124 3.277 -2.121 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.373 -4.356 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.088 -4.427 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.628 -4.584 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.480 -2.372 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.699 -2.519 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.544 -0.997 3.079 1.00 0.00 H new ATOM 917 N THR A 125 6.685 -3.732 1.778 1.00 0.00 N ATOM 918 CA THR A 125 7.671 -4.333 0.889 1.00 0.00 C ATOM 919 C THR A 125 7.387 -5.815 0.675 1.00 0.00 C ATOM 920 O THR A 125 7.734 -6.650 1.511 1.00 0.00 O ATOM 921 CB THR A 125 9.099 -4.169 1.442 1.00 0.00 C ATOM 922 OG1 THR A 125 9.318 -2.811 1.840 1.00 0.00 O ATOM 923 CG2 THR A 125 10.132 -4.570 0.400 1.00 0.00 C ATOM 0 H THR A 125 6.647 -4.149 2.708 1.00 0.00 H new ATOM 0 HA THR A 125 7.597 -3.811 -0.065 1.00 0.00 H new ATOM 0 HB THR A 125 9.207 -4.822 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.829 -2.793 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.133 -4.446 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.981 -5.613 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.023 -3.939 -0.482 1.00 0.00 H new ATOM 931 N TYR A 126 6.757 -6.136 -0.449 1.00 0.00 N ATOM 932 CA TYR A 126 6.425 -7.518 -0.772 1.00 0.00 C ATOM 933 C TYR A 126 7.621 -8.235 -1.391 1.00 0.00 C ATOM 934 O TYR A 126 8.615 -7.607 -1.756 1.00 0.00 O ATOM 935 CB TYR A 126 5.234 -7.569 -1.730 1.00 0.00 C ATOM 936 CG TYR A 126 3.923 -7.177 -1.087 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.350 -7.964 -0.095 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.257 -6.019 -1.471 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.152 -7.610 0.494 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.059 -5.657 -0.886 1.00 0.00 C ATOM 941 CZ TYR A 126 1.511 -6.455 0.096 1.00 0.00 C ATOM 942 OH TYR A 126 0.318 -6.099 0.682 1.00 0.00 O ATOM 0 H TYR A 126 6.466 -5.457 -1.152 1.00 0.00 H new ATOM 0 HA TYR A 126 6.159 -8.027 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.428 -6.906 -2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.145 -8.578 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.850 -8.868 0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.683 -5.392 -2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.719 -8.234 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.554 -4.754 -1.196 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.009 -6.840 1.234 1.00 0.00 H new ATOM 952 N SER A 127 7.517 -9.555 -1.508 1.00 0.00 N ATOM 953 CA SER A 127 8.590 -10.359 -2.080 1.00 0.00 C ATOM 954 C SER A 127 8.403 -10.523 -3.585 1.00 0.00 C ATOM 955 O SER A 127 9.350 -10.380 -4.359 1.00 0.00 O ATOM 956 CB SER A 127 8.640 -11.733 -1.409 1.00 0.00 C ATOM 957 OG SER A 127 9.665 -12.537 -1.968 1.00 0.00 O ATOM 0 H SER A 127 6.700 -10.090 -1.214 1.00 0.00 H new ATOM 0 HA SER A 127 9.532 -9.841 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.811 -11.613 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.678 -12.233 -1.524 1.00 0.00 H new ATOM 0 HG SER A 127 9.677 -13.409 -1.521 1.00 0.00 H new ATOM 963 N SER A 128 7.174 -10.823 -3.993 1.00 0.00 N ATOM 964 CA SER A 128 6.862 -11.010 -5.405 1.00 0.00 C ATOM 965 C SER A 128 6.338 -9.716 -6.022 1.00 0.00 C ATOM 966 O SER A 128 6.023 -8.759 -5.314 1.00 0.00 O ATOM 967 CB SER A 128 5.828 -12.125 -5.578 1.00 0.00 C ATOM 968 OG SER A 128 4.510 -11.607 -5.551 1.00 0.00 O ATOM 0 H SER A 128 6.378 -10.942 -3.366 1.00 0.00 H new ATOM 0 HA SER A 128 7.780 -11.292 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.000 -12.641 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.948 -12.863 -4.785 1.00 0.00 H new ATOM 0 HG SER A 128 3.896 -12.254 -5.956 1.00 0.00 H new ATOM 974 N LYS A 129 6.247 -9.694 -7.347 1.00 0.00 N ATOM 975 CA LYS A 129 5.761 -8.520 -8.062 1.00 0.00 C ATOM 976 C LYS A 129 4.241 -8.422 -7.977 1.00 0.00 C ATOM 977 O LYS A 129 3.700 -7.443 -7.464 1.00 0.00 O ATOM 978 CB LYS A 129 6.198 -8.572 -9.528 1.00 0.00 C ATOM 979 CG LYS A 129 6.284 -7.206 -10.186 1.00 0.00 C ATOM 980 CD LYS A 129 4.954 -6.796 -10.795 1.00 0.00 C ATOM 981 CE LYS A 129 4.767 -7.394 -12.181 1.00 0.00 C ATOM 982 NZ LYS A 129 3.531 -6.889 -12.840 1.00 0.00 N ATOM 0 H LYS A 129 6.504 -10.477 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 129 6.192 -7.636 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.171 -9.058 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.496 -9.191 -10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.592 -6.465 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.051 -7.222 -10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.140 -7.119 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.901 -5.709 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 129 5.632 -7.155 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 129 4.720 -8.480 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.439 -7.320 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 2.703 -7.139 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.587 -5.855 -12.936 1.00 0.00 H new ATOM 996 N ASP A 130 3.558 -9.444 -8.483 1.00 0.00 N ATOM 997 CA ASP A 130 2.100 -9.474 -8.462 1.00 0.00 C ATOM 998 C ASP A 130 1.570 -9.165 -7.065 1.00 0.00 C ATOM 999 O ASP A 130 0.789 -8.232 -6.880 1.00 0.00 O ATOM 1000 CB ASP A 130 1.590 -10.840 -8.924 1.00 0.00 C ATOM 1001 CG ASP A 130 0.095 -10.846 -9.171 1.00 0.00 C ATOM 1002 OD1 ASP A 130 -0.660 -10.476 -8.248 1.00 0.00 O ATOM 1003 OD2 ASP A 130 -0.321 -11.222 -10.287 1.00 0.00 O ATOM 0 H ASP A 130 3.991 -10.262 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 130 1.736 -8.708 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.108 -11.127 -9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.834 -11.589 -8.171 1.00 0.00 H new ATOM 1008 N GLN A 131 2.000 -9.956 -6.087 1.00 0.00 N ATOM 1009 CA GLN A 131 1.567 -9.767 -4.707 1.00 0.00 C ATOM 1010 C GLN A 131 1.433 -8.284 -4.376 1.00 0.00 C ATOM 1011 O GLN A 131 0.529 -7.881 -3.645 1.00 0.00 O ATOM 1012 CB GLN A 131 2.555 -10.430 -3.745 1.00 0.00 C ATOM 1013 CG GLN A 131 2.410 -11.941 -3.670 1.00 0.00 C ATOM 1014 CD GLN A 131 3.706 -12.633 -3.295 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.460 -12.026 -2.387 1.00 0.00 O flip ATOM 1016 NE2 GLN A 131 4.025 -13.702 -3.815 1.00 0.00 N flip ATOM 0 H GLN A 131 2.647 -10.733 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 131 0.589 -10.235 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.571 -10.186 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.417 -10.010 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.643 -12.193 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.067 -12.318 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.415 -14.134 -4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.899 -14.156 -3.552 1.00 0.00 H new ATOM 1025 N ALA A 132 2.339 -7.478 -4.919 1.00 0.00 N ATOM 1026 CA ALA A 132 2.322 -6.040 -4.683 1.00 0.00 C ATOM 1027 C ALA A 132 1.269 -5.354 -5.548 1.00 0.00 C ATOM 1028 O ALA A 132 0.530 -4.491 -5.075 1.00 0.00 O ATOM 1029 CB ALA A 132 3.696 -5.444 -4.949 1.00 0.00 C ATOM 0 H ALA A 132 3.094 -7.797 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 132 2.062 -5.872 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.668 -4.369 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.427 -5.904 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.979 -5.631 -5.985 1.00 0.00 H new ATOM 1035 N ARG A 133 1.209 -5.744 -6.817 1.00 0.00 N ATOM 1036 CA ARG A 133 0.248 -5.165 -7.749 1.00 0.00 C ATOM 1037 C ARG A 133 -1.144 -5.105 -7.127 1.00 0.00 C ATOM 1038 O ARG A 133 -1.735 -4.032 -7.008 1.00 0.00 O ATOM 1039 CB ARG A 133 0.206 -5.979 -9.043 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.544 -5.291 -10.172 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.559 -6.143 -11.431 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.495 -5.630 -12.428 1.00 0.00 N ATOM 1043 CZ ARG A 133 -1.248 -4.573 -13.193 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -0.099 -3.920 -13.077 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -2.150 -4.167 -14.078 1.00 0.00 N ATOM 0 H ARG A 133 1.814 -6.458 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 133 0.569 -4.149 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.227 -6.183 -9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.262 -6.942 -8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.567 -5.086 -9.858 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.078 -4.330 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.443 -6.176 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.830 -7.167 -11.173 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.388 -6.110 -12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.597 -4.230 -12.399 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.088 -3.108 -13.666 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.034 -4.667 -14.171 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -1.959 -3.355 -14.665 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.661 -6.264 -6.734 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.984 -6.343 -6.125 1.00 0.00 C ATOM 1061 C GLN A 134 -3.079 -5.429 -4.909 1.00 0.00 C ATOM 1062 O GLN A 134 -3.879 -4.494 -4.883 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.297 -7.785 -5.721 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.783 -8.059 -5.550 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.621 -7.439 -6.651 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -6.558 -6.687 -6.384 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.288 -7.753 -7.897 1.00 0.00 N ATOM 0 H GLN A 134 -1.185 -7.161 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.716 -6.013 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.896 -8.461 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.784 -8.011 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.951 -9.136 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.112 -7.671 -4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -4.503 -8.381 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.817 -7.367 -8.679 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.257 -5.705 -3.901 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.248 -4.907 -2.682 1.00 0.00 C ATOM 1078 C ALA A 135 -2.547 -3.442 -2.983 1.00 0.00 C ATOM 1079 O ALA A 135 -3.498 -2.870 -2.449 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.907 -5.039 -1.975 1.00 0.00 C ATOM 0 H ALA A 135 -1.589 -6.476 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 135 -3.032 -5.283 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.914 -4.438 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.733 -6.084 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.112 -4.690 -2.634 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.730 -2.840 -3.840 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.907 -1.440 -4.211 1.00 0.00 C ATOM 1088 C LEU A 136 -3.201 -1.245 -4.995 1.00 0.00 C ATOM 1089 O LEU A 136 -4.008 -0.372 -4.674 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.716 -0.958 -5.041 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.887 0.391 -5.739 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.467 0.982 -6.099 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.753 0.243 -6.982 1.00 0.00 C ATOM 0 H LEU A 136 -0.939 -3.299 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.966 -0.851 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.156 -0.899 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.498 -1.711 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.387 1.073 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.325 1.942 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.054 1.126 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.994 0.302 -6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.864 1.213 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.281 -0.455 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.735 -0.135 -6.698 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.392 -2.063 -6.024 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.589 -1.982 -6.853 1.00 0.00 C ATOM 1107 C ASP A 137 -5.841 -1.871 -5.989 1.00 0.00 C ATOM 1108 O ASP A 137 -6.841 -1.280 -6.399 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.689 -3.208 -7.763 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.997 -2.997 -9.096 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.841 -2.527 -9.096 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.613 -3.302 -10.139 1.00 0.00 O ATOM 0 H ASP A 137 -2.733 -2.790 -6.304 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.514 -1.087 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.247 -4.068 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.739 -3.444 -7.935 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.781 -2.444 -4.792 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.909 -2.410 -3.869 1.00 0.00 C ATOM 1119 C LYS A 138 -6.726 -1.312 -2.826 1.00 0.00 C ATOM 1120 O LYS A 138 -7.472 -0.332 -2.803 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.069 -3.765 -3.176 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.346 -4.910 -4.135 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.792 -4.908 -4.603 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.676 -5.736 -3.683 1.00 0.00 C ATOM 1125 NZ LYS A 138 -11.117 -5.398 -3.847 1.00 0.00 N ATOM 0 H LYS A 138 -4.962 -2.938 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.810 -2.194 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.162 -3.985 -2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.884 -3.701 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.684 -4.832 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.122 -5.858 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.162 -3.883 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.848 -5.304 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.525 -6.795 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.379 -5.569 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.686 -5.983 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.265 -4.393 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -11.407 -5.581 -4.829 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.728 -1.481 -1.965 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.446 -0.504 -0.920 1.00 0.00 C ATOM 1141 C LEU A 139 -5.426 0.911 -1.489 1.00 0.00 C ATOM 1142 O LEU A 139 -6.001 1.832 -0.909 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.105 -0.815 -0.251 1.00 0.00 C ATOM 1144 CG LEU A 139 -4.028 -2.138 0.513 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.579 -2.518 0.775 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.802 -2.044 1.820 1.00 0.00 C ATOM 0 H LEU A 139 -5.101 -2.285 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.240 -0.566 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.330 -0.815 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.869 -0.005 0.440 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.482 -2.917 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.543 -3.462 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -2.054 -2.626 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.100 -1.739 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.737 -2.994 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.377 -1.253 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.847 -1.818 1.609 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.763 1.076 -2.628 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.670 2.379 -3.277 1.00 0.00 C ATOM 1160 C ASN A 140 -6.009 3.108 -3.227 1.00 0.00 C ATOM 1161 O ASN A 140 -6.061 4.337 -3.258 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.218 2.218 -4.730 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.183 3.539 -5.474 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -4.295 4.607 -4.872 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -4.027 3.471 -6.791 1.00 0.00 N ATOM 0 H ASN A 140 -4.282 0.324 -3.121 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.932 2.973 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.226 1.766 -4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.892 1.533 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.996 4.326 -7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -3.938 2.563 -7.248 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.092 2.341 -3.150 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.417 2.931 -3.096 1.00 0.00 C ATOM 1174 C GLY A 141 -9.302 2.276 -2.054 1.00 0.00 C ATOM 1175 O GLY A 141 -10.518 2.465 -2.054 1.00 0.00 O ATOM 0 H GLY A 141 -7.076 1.321 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.329 3.995 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.889 2.846 -4.075 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.691 1.502 -1.163 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.431 0.815 -0.112 1.00 0.00 C ATOM 1181 C PHE A 142 -9.882 1.796 0.967 1.00 0.00 C ATOM 1182 O PHE A 142 -9.082 2.241 1.788 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.570 -0.285 0.512 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.316 -1.151 1.487 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.826 -0.616 2.659 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.509 -2.499 1.230 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.513 -1.411 3.558 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.195 -3.298 2.125 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.698 -2.753 3.290 1.00 0.00 C ATOM 0 H PHE A 142 -7.685 1.335 -1.148 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.316 0.364 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.165 -0.912 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.722 0.173 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.685 0.433 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.119 -2.930 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.905 -0.983 4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.338 -4.347 1.914 1.00 0.00 H new ATOM 0 HZ PHE A 142 -11.235 -3.375 3.990 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.169 2.127 0.955 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.727 3.057 1.931 1.00 0.00 C ATOM 1201 C GLN A 143 -11.798 2.417 3.313 1.00 0.00 C ATOM 1202 O GLN A 143 -12.481 1.410 3.509 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.121 3.512 1.494 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.521 4.868 2.053 1.00 0.00 C ATOM 1205 CD GLN A 143 -15.021 5.011 2.219 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.756 4.024 2.202 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.483 6.245 2.382 1.00 0.00 N ATOM 0 H GLN A 143 -11.845 1.766 0.281 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.070 3.925 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.156 3.552 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.853 2.768 1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.037 5.016 3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -13.156 5.652 1.390 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -14.837 7.034 2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.484 6.404 2.500 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.089 3.006 4.269 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.071 2.493 5.635 1.00 0.00 C ATOM 1218 C LEU A 144 -11.313 3.613 6.641 1.00 0.00 C ATOM 1219 O LEU A 144 -10.485 4.511 6.795 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.733 1.810 5.927 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.730 0.806 7.080 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.388 0.096 7.165 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -10.051 1.502 8.394 1.00 0.00 C ATOM 0 H LEU A 144 -10.519 3.839 4.124 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.874 1.762 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.405 1.296 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.993 2.581 6.141 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.502 0.060 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.404 -0.615 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.198 -0.436 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.599 0.829 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -10.044 0.772 9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -9.303 2.270 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -11.036 1.964 8.330 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.451 3.553 7.324 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.801 4.563 8.316 1.00 0.00 C ATOM 1237 C GLU A 145 -12.920 5.941 7.672 1.00 0.00 C ATOM 1238 O GLU A 145 -12.440 6.935 8.214 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.753 4.598 9.431 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.905 3.477 10.445 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.513 3.901 11.847 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -12.080 4.896 12.345 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.640 3.239 12.446 1.00 0.00 O ATOM 0 H GLU A 145 -13.147 2.816 7.209 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.768 4.296 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.760 4.542 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.817 5.555 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.940 3.134 10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.290 2.631 10.140 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.563 5.990 6.510 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.745 7.245 5.789 1.00 0.00 C ATOM 1252 C ASN A 146 -12.401 7.828 5.365 1.00 0.00 C ATOM 1253 O ASN A 146 -12.270 9.037 5.170 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.498 8.253 6.661 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.692 7.633 7.361 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -16.455 6.876 6.759 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -15.860 7.952 8.639 1.00 0.00 N ATOM 0 H ASN A 146 -13.967 5.176 6.047 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.331 7.039 4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.817 8.665 7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.835 9.085 6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -16.646 7.566 9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -15.203 8.583 9.098 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.404 6.961 5.222 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.069 7.389 4.820 1.00 0.00 C ATOM 1266 C PHE A 147 -9.547 6.534 3.670 1.00 0.00 C ATOM 1267 O PHE A 147 -8.975 5.464 3.885 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.107 7.310 6.007 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.142 8.525 6.889 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.515 9.698 6.501 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.803 8.495 8.107 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.546 10.818 7.310 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.837 9.612 8.920 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.207 10.775 8.522 1.00 0.00 C ATOM 0 H PHE A 147 -11.495 5.957 5.379 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.133 8.423 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.350 6.431 6.604 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.092 7.171 5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -7.996 9.738 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.297 7.589 8.424 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.054 11.726 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.356 9.576 9.866 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.231 11.648 9.157 1.00 0.00 H new ATOM 1284 N THR A 148 -9.748 7.012 2.446 1.00 0.00 N ATOM 1285 CA THR A 148 -9.299 6.293 1.261 1.00 0.00 C ATOM 1286 C THR A 148 -7.787 6.102 1.272 1.00 0.00 C ATOM 1287 O THR A 148 -7.031 7.039 1.010 1.00 0.00 O ATOM 1288 CB THR A 148 -9.703 7.030 -0.030 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.098 7.352 0.005 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.405 6.178 -1.255 1.00 0.00 C ATOM 0 H THR A 148 -10.219 7.895 2.250 1.00 0.00 H new ATOM 0 HA THR A 148 -9.785 5.317 1.281 1.00 0.00 H new ATOM 0 HB THR A 148 -9.120 7.949 -0.095 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.346 7.822 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.699 6.719 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.338 5.959 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.965 5.245 -1.194 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.351 4.885 1.576 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.927 4.571 1.621 1.00 0.00 C ATOM 1300 C LEU A 149 -5.262 4.868 0.281 1.00 0.00 C ATOM 1301 O LEU A 149 -5.679 4.357 -0.759 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.720 3.102 1.992 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.345 2.648 3.311 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.135 1.155 3.516 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.761 3.434 4.476 1.00 0.00 C ATOM 0 H LEU A 149 -7.963 4.099 1.795 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.465 5.200 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.125 2.485 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.649 2.906 2.035 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.417 2.841 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.587 0.850 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.600 0.606 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.067 0.937 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.217 3.098 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.684 3.272 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.963 4.496 4.336 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.223 5.696 0.313 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.496 6.060 -0.898 1.00 0.00 C ATOM 1319 C LYS A 150 -2.198 5.267 -1.011 1.00 0.00 C ATOM 1320 O LYS A 150 -1.329 5.353 -0.143 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.193 7.560 -0.904 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.431 8.431 -0.776 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.128 9.882 -1.109 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.367 10.610 -1.607 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.031 11.934 -2.201 1.00 0.00 N ATOM 0 H LYS A 150 -3.865 6.128 1.165 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.124 5.820 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.512 7.788 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.674 7.814 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.209 8.059 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.821 8.364 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.740 10.386 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.348 9.927 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.874 9.996 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.063 10.749 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.902 12.399 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.570 12.529 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.386 11.800 -3.006 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.072 4.498 -2.088 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.878 3.692 -2.316 1.00 0.00 C ATOM 1341 C VAL A 151 -0.194 4.081 -3.622 1.00 0.00 C ATOM 1342 O VAL A 151 -0.852 4.277 -4.644 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.213 2.189 -2.352 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.054 1.363 -2.510 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -1.971 1.783 -1.097 1.00 0.00 C ATOM 0 H VAL A 151 -2.782 4.416 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.202 3.885 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.852 1.997 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.203 0.304 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.553 1.636 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.721 1.556 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.200 0.718 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.358 1.988 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.899 2.351 -1.033 1.00 0.00 H new ATOM 1355 N ALA A 152 1.130 4.189 -3.581 1.00 0.00 N ATOM 1356 CA ALA A 152 1.903 4.551 -4.763 1.00 0.00 C ATOM 1357 C ALA A 152 3.219 3.783 -4.814 1.00 0.00 C ATOM 1358 O ALA A 152 3.832 3.513 -3.780 1.00 0.00 O ATOM 1359 CB ALA A 152 2.163 6.050 -4.784 1.00 0.00 C ATOM 0 H ALA A 152 1.689 4.031 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 152 1.321 4.282 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.741 6.307 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.213 6.584 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.722 6.335 -3.892 1.00 0.00 H new ATOM 1365 N TYR A 153 3.648 3.433 -6.021 1.00 0.00 N ATOM 1366 CA TYR A 153 4.891 2.692 -6.206 1.00 0.00 C ATOM 1367 C TYR A 153 6.099 3.571 -5.897 1.00 0.00 C ATOM 1368 O TYR A 153 6.425 4.485 -6.655 1.00 0.00 O ATOM 1369 CB TYR A 153 4.984 2.162 -7.638 1.00 0.00 C ATOM 1370 CG TYR A 153 4.323 0.815 -7.829 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.836 -0.325 -7.224 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.184 0.684 -8.614 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.236 -1.557 -7.396 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.576 -0.544 -8.791 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.106 -1.661 -8.180 1.00 0.00 C ATOM 1376 OH TYR A 153 2.504 -2.887 -8.354 1.00 0.00 O ATOM 0 H TYR A 153 3.154 3.650 -6.886 1.00 0.00 H new ATOM 0 HA TYR A 153 4.890 1.850 -5.514 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.523 2.883 -8.314 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.034 2.086 -7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.720 -0.247 -6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.767 1.557 -9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.649 -2.434 -6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.691 -0.629 -9.404 1.00 0.00 H new ATOM 0 HH TYR A 153 2.652 -3.440 -7.559 1.00 0.00 H new ATOM 1386 N ILE A 154 6.759 3.285 -4.780 1.00 0.00 N ATOM 1387 CA ILE A 154 7.933 4.047 -4.371 1.00 0.00 C ATOM 1388 C ILE A 154 9.049 3.935 -5.405 1.00 0.00 C ATOM 1389 O ILE A 154 9.308 2.868 -5.962 1.00 0.00 O ATOM 1390 CB ILE A 154 8.464 3.573 -3.006 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.399 3.766 -1.925 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.737 4.324 -2.643 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.873 3.398 -0.536 1.00 0.00 C ATOM 0 H ILE A 154 6.501 2.532 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 154 7.620 5.088 -4.289 1.00 0.00 H new ATOM 0 HB ILE A 154 8.698 2.511 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.077 4.807 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.527 3.162 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.100 3.978 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.497 4.141 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.527 5.392 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 154 7.066 3.560 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.168 2.349 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.727 4.020 -0.266 1.00 0.00 H new