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 129 LYS NZ :NH3+ -159:sc= 0.525 (180deg=0.248) USER MOD Set 1.2: A 153 TYR OH : rot 180:sc= -0.147 USER MOD Set 2.1: A 84 GLN : amide:sc= 0 X(o=-2,f=-2) USER MOD Set 2.2: A 123 ASN : amide:sc= -2.02 K(o=-2,f=-4.2) USER MOD Set 3.1: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 125 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 87 ASN : amide:sc= -0.281 K(o=-0.28,f=-0.81) USER MOD Single : A 91 HIS : no HE2:sc= 0.522 K(o=0.52,f=-2.3!) USER MOD Single : A 93 GLN : amide:sc= -0.583 K(o=-0.58,f=-1.9!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) 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= -1.12 K(o=-1.1,f=-3.1!) USER MOD Single : A 114 ASN : amide:sc= -0.903! C(o=-0.9!,f=-1.3!) USER MOD Single : A 115 THR OG1 : rot -50:sc= 0.731 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot -170:sc= 0 USER MOD Single : A 126 TYR OH : rot -14:sc= 0.905 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -3.25! C(o=-3.2!,f=-7.3!) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0131) USER MOD Single : A 140 ASN : amide:sc= -1.44! C(o=-1.4!,f=-4.1!) USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 146 ASN : amide:sc= -0.625 K(o=-0.63,f=-3.8!) 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 ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.589 -0.894 -3.628 1.00 0.00 N ATOM 238 CA LYS A 82 8.824 -0.755 -2.394 1.00 0.00 C ATOM 239 C LYS A 82 7.507 -0.031 -2.650 1.00 0.00 C ATOM 240 O LYS A 82 7.352 0.660 -3.658 1.00 0.00 O ATOM 241 CB LYS A 82 9.641 0.005 -1.346 1.00 0.00 C ATOM 242 CG LYS A 82 9.321 -0.397 0.083 1.00 0.00 C ATOM 243 CD LYS A 82 9.845 0.623 1.080 1.00 0.00 C ATOM 244 CE LYS A 82 11.364 0.700 1.052 1.00 0.00 C ATOM 245 NZ LYS A 82 11.990 -0.406 1.827 1.00 0.00 N ATOM 0 HA LYS A 82 8.602 -1.754 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.702 -0.163 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.462 1.074 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.242 -0.500 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.759 -1.372 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.426 1.603 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.511 0.358 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.711 0.661 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.687 1.658 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.025 -0.318 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.680 -0.354 2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.703 -1.320 1.422 1.00 0.00 H new ATOM 259 N LEU A 83 6.560 -0.192 -1.732 1.00 0.00 N ATOM 260 CA LEU A 83 5.255 0.449 -1.857 1.00 0.00 C ATOM 261 C LEU A 83 4.997 1.392 -0.687 1.00 0.00 C ATOM 262 O LEU A 83 5.310 1.073 0.460 1.00 0.00 O ATOM 263 CB LEU A 83 4.152 -0.608 -1.928 1.00 0.00 C ATOM 264 CG LEU A 83 4.031 -1.364 -3.252 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.247 -2.653 -3.061 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.371 -0.489 -4.308 1.00 0.00 C ATOM 0 H LEU A 83 6.671 -0.761 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 83 5.251 1.033 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.320 -1.334 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.198 -0.123 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 83 5.034 -1.619 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.171 -3.177 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.760 -3.287 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.247 -2.420 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.293 -1.043 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.374 -0.203 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.972 0.407 -4.466 1.00 0.00 H new ATOM 278 N GLN A 84 4.423 2.553 -0.985 1.00 0.00 N ATOM 279 CA GLN A 84 4.121 3.542 0.043 1.00 0.00 C ATOM 280 C GLN A 84 2.616 3.660 0.260 1.00 0.00 C ATOM 281 O GLN A 84 1.853 3.816 -0.694 1.00 0.00 O ATOM 282 CB GLN A 84 4.701 4.903 -0.343 1.00 0.00 C ATOM 283 CG GLN A 84 4.252 6.036 0.566 1.00 0.00 C ATOM 284 CD GLN A 84 5.210 7.210 0.553 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.923 8.255 -0.032 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.358 7.045 1.200 1.00 0.00 N ATOM 0 H GLN A 84 4.158 2.832 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 84 4.579 3.211 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.789 4.843 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.412 5.134 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.264 6.375 0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.155 5.662 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.555 6.162 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.042 7.801 1.225 1.00 0.00 H new ATOM 295 N ILE A 85 2.197 3.585 1.518 1.00 0.00 N ATOM 296 CA ILE A 85 0.783 3.685 1.859 1.00 0.00 C ATOM 297 C ILE A 85 0.518 4.887 2.759 1.00 0.00 C ATOM 298 O ILE A 85 1.208 5.091 3.758 1.00 0.00 O ATOM 299 CB ILE A 85 0.283 2.410 2.564 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.530 1.184 1.682 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.195 2.537 2.902 1.00 0.00 C ATOM 302 CD1 ILE A 85 -0.023 -0.099 2.263 1.00 0.00 C ATOM 0 H ILE A 85 2.816 3.455 2.318 1.00 0.00 H new ATOM 0 HA ILE A 85 0.240 3.809 0.922 1.00 0.00 H new ATOM 0 HB ILE A 85 0.839 2.284 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.081 1.354 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.603 1.070 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.534 1.628 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.345 3.390 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.767 2.683 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.188 -0.926 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.445 -0.292 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.101 -0.004 2.395 1.00 0.00 H new ATOM 314 N ARG A 86 -0.487 5.678 2.400 1.00 0.00 N ATOM 315 CA ARG A 86 -0.845 6.860 3.175 1.00 0.00 C ATOM 316 C ARG A 86 -2.355 6.939 3.380 1.00 0.00 C ATOM 317 O ARG A 86 -3.094 6.044 2.974 1.00 0.00 O ATOM 318 CB ARG A 86 -0.347 8.125 2.474 1.00 0.00 C ATOM 319 CG ARG A 86 1.107 8.049 2.038 1.00 0.00 C ATOM 320 CD ARG A 86 1.524 9.293 1.270 1.00 0.00 C ATOM 321 NE ARG A 86 0.730 9.482 0.060 1.00 0.00 N ATOM 322 CZ ARG A 86 1.082 10.293 -0.931 1.00 0.00 C ATOM 323 NH1 ARG A 86 2.209 10.987 -0.856 1.00 0.00 N ATOM 324 NH2 ARG A 86 0.306 10.411 -2.001 1.00 0.00 N ATOM 0 H ARG A 86 -1.069 5.522 1.577 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.367 6.782 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.970 8.315 1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.472 8.975 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.745 7.930 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.255 7.168 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.419 10.167 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.578 9.218 1.003 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.143 8.963 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.809 10.899 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.477 11.609 -1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.562 9.879 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.577 11.034 -2.762 1.00 0.00 H new ATOM 338 N ASN A 87 -2.804 8.017 4.014 1.00 0.00 N ATOM 339 CA ASN A 87 -4.226 8.213 4.275 1.00 0.00 C ATOM 340 C ASN A 87 -4.774 7.103 5.166 1.00 0.00 C ATOM 341 O ASN A 87 -5.892 6.628 4.967 1.00 0.00 O ATOM 342 CB ASN A 87 -5.006 8.257 2.959 1.00 0.00 C ATOM 343 CG ASN A 87 -5.153 9.667 2.421 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.180 10.417 2.339 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.374 10.035 2.051 1.00 0.00 N ATOM 0 H ASN A 87 -2.205 8.768 4.356 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.347 9.164 4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.498 7.639 2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.995 7.824 3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.534 10.972 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.152 9.381 2.136 1.00 0.00 H new ATOM 352 N ILE A 88 -3.979 6.695 6.150 1.00 0.00 N ATOM 353 CA ILE A 88 -4.384 5.643 7.073 1.00 0.00 C ATOM 354 C ILE A 88 -4.981 6.230 8.348 1.00 0.00 C ATOM 355 O ILE A 88 -4.433 7.152 8.952 1.00 0.00 O ATOM 356 CB ILE A 88 -3.199 4.733 7.446 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.591 4.109 6.188 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.646 3.651 8.417 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.170 3.627 6.379 1.00 0.00 C ATOM 0 H ILE A 88 -3.050 7.078 6.328 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.140 5.048 6.561 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.435 5.339 7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.211 3.270 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.612 4.842 5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.797 3.016 8.671 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.036 4.114 9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.426 3.046 7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.803 3.197 5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.536 4.467 6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.145 2.870 7.163 1.00 0.00 H new ATOM 371 N PRO A 89 -6.131 5.682 8.769 1.00 0.00 N ATOM 372 CA PRO A 89 -6.826 6.134 9.978 1.00 0.00 C ATOM 373 C PRO A 89 -6.071 5.769 11.252 1.00 0.00 C ATOM 374 O PRO A 89 -5.746 4.607 11.498 1.00 0.00 O ATOM 375 CB PRO A 89 -8.163 5.391 9.917 1.00 0.00 C ATOM 376 CG PRO A 89 -7.884 4.175 9.103 1.00 0.00 C ATOM 377 CD PRO A 89 -6.840 4.580 8.099 1.00 0.00 C ATOM 0 HA PRO A 89 -6.927 7.219 10.009 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.515 5.128 10.914 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.937 6.006 9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.526 3.359 9.731 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.788 3.822 8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.168 3.755 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.290 4.904 7.160 1.00 0.00 H new ATOM 385 N PRO A 90 -5.785 6.783 12.082 1.00 0.00 N ATOM 386 CA PRO A 90 -5.067 6.592 13.345 1.00 0.00 C ATOM 387 C PRO A 90 -5.903 5.850 14.382 1.00 0.00 C ATOM 388 O PRO A 90 -5.464 5.640 15.514 1.00 0.00 O ATOM 389 CB PRO A 90 -4.784 8.023 13.812 1.00 0.00 C ATOM 390 CG PRO A 90 -5.849 8.846 13.174 1.00 0.00 C ATOM 391 CD PRO A 90 -6.142 8.193 11.852 1.00 0.00 C ATOM 0 HA PRO A 90 -4.171 5.985 13.216 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.822 8.100 14.899 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.791 8.351 13.503 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.742 8.881 13.798 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.517 9.875 13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.190 8.302 11.573 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.551 8.631 11.048 1.00 0.00 H new ATOM 399 N HIS A 91 -7.109 5.453 13.989 1.00 0.00 N ATOM 400 CA HIS A 91 -8.006 4.732 14.885 1.00 0.00 C ATOM 401 C HIS A 91 -7.789 3.226 14.775 1.00 0.00 C ATOM 402 O HIS A 91 -7.849 2.505 15.772 1.00 0.00 O ATOM 403 CB HIS A 91 -9.462 5.074 14.566 1.00 0.00 C ATOM 404 CG HIS A 91 -9.683 6.522 14.254 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.596 6.960 13.318 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.104 7.635 14.762 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.567 8.280 13.263 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.671 8.714 14.129 1.00 0.00 N ATOM 0 H HIS A 91 -7.488 5.618 13.056 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.784 5.039 15.907 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.790 4.474 13.717 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.087 4.794 15.414 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.199 6.359 12.756 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.339 7.668 15.523 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.174 8.899 12.618 1.00 0.00 H new ATOM 416 N LEU A 92 -7.538 2.757 13.557 1.00 0.00 N ATOM 417 CA LEU A 92 -7.313 1.336 13.317 1.00 0.00 C ATOM 418 C LEU A 92 -6.136 0.824 14.140 1.00 0.00 C ATOM 419 O LEU A 92 -5.201 1.569 14.433 1.00 0.00 O ATOM 420 CB LEU A 92 -7.057 1.085 11.829 1.00 0.00 C ATOM 421 CG LEU A 92 -6.287 -0.191 11.487 1.00 0.00 C ATOM 422 CD1 LEU A 92 -6.696 -0.710 10.117 1.00 0.00 C ATOM 423 CD2 LEU A 92 -4.787 0.061 11.538 1.00 0.00 C ATOM 0 H LEU A 92 -7.485 3.340 12.721 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.208 0.795 13.623 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.018 1.054 11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.508 1.936 11.427 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.533 -0.951 12.229 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.138 -1.618 9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.764 -0.930 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.480 0.046 9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.255 -0.858 11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.524 0.836 10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.506 0.385 12.540 1.00 0.00 H new ATOM 435 N GLN A 93 -6.188 -0.452 14.508 1.00 0.00 N ATOM 436 CA GLN A 93 -5.125 -1.064 15.297 1.00 0.00 C ATOM 437 C GLN A 93 -4.113 -1.765 14.396 1.00 0.00 C ATOM 438 O GLN A 93 -4.487 -2.481 13.466 1.00 0.00 O ATOM 439 CB GLN A 93 -5.712 -2.061 16.297 1.00 0.00 C ATOM 440 CG GLN A 93 -6.402 -1.401 17.480 1.00 0.00 C ATOM 441 CD GLN A 93 -5.436 -0.651 18.376 1.00 0.00 C ATOM 442 OE1 GLN A 93 -4.936 0.415 18.015 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.168 -1.205 19.553 1.00 0.00 N ATOM 0 H GLN A 93 -6.955 -1.082 14.273 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.611 -0.273 15.843 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.427 -2.702 15.781 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.914 -2.706 16.666 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.162 -0.711 17.114 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.918 -2.162 18.065 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.605 -2.090 19.812 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.525 -0.746 20.198 1.00 0.00 H new ATOM 452 N TRP A 94 -2.833 -1.555 14.677 1.00 0.00 N ATOM 453 CA TRP A 94 -1.767 -2.167 13.891 1.00 0.00 C ATOM 454 C TRP A 94 -2.022 -3.658 13.698 1.00 0.00 C ATOM 455 O TRP A 94 -1.960 -4.166 12.579 1.00 0.00 O ATOM 456 CB TRP A 94 -0.415 -1.952 14.573 1.00 0.00 C ATOM 457 CG TRP A 94 0.752 -2.169 13.658 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.354 -3.360 13.366 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.459 -1.168 12.918 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.393 -3.159 12.489 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.477 -1.823 12.198 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.330 0.218 12.792 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.360 -1.138 11.367 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.207 0.896 11.967 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.210 0.218 11.262 1.00 0.00 C ATOM 0 H TRP A 94 -2.507 -0.966 15.443 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.751 -1.690 12.911 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.373 -0.938 14.969 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.333 -2.630 15.423 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.057 -4.318 13.765 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.003 -3.887 12.115 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.559 0.749 13.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.136 -1.659 10.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.118 1.967 11.864 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.878 0.777 10.623 1.00 0.00 H new ATOM 476 N GLU A 95 -2.308 -4.352 14.794 1.00 0.00 N ATOM 477 CA GLU A 95 -2.570 -5.786 14.743 1.00 0.00 C ATOM 478 C GLU A 95 -3.355 -6.150 13.486 1.00 0.00 C ATOM 479 O GLU A 95 -2.978 -7.060 12.747 1.00 0.00 O ATOM 480 CB GLU A 95 -3.343 -6.230 15.986 1.00 0.00 C ATOM 481 CG GLU A 95 -4.685 -5.536 16.149 1.00 0.00 C ATOM 482 CD GLU A 95 -5.148 -5.493 17.593 1.00 0.00 C ATOM 483 OE1 GLU A 95 -5.294 -6.574 18.200 1.00 0.00 O ATOM 484 OE2 GLU A 95 -5.365 -4.379 18.114 1.00 0.00 O ATOM 0 H GLU A 95 -2.364 -3.946 15.728 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.612 -6.304 14.716 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.504 -7.307 15.938 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.735 -6.038 16.870 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.613 -4.519 15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.432 -6.053 15.547 1.00 0.00 H new ATOM 491 N VAL A 96 -4.449 -5.433 13.249 1.00 0.00 N ATOM 492 CA VAL A 96 -5.287 -5.680 12.082 1.00 0.00 C ATOM 493 C VAL A 96 -4.552 -5.329 10.793 1.00 0.00 C ATOM 494 O VAL A 96 -4.625 -6.060 9.805 1.00 0.00 O ATOM 495 CB VAL A 96 -6.596 -4.871 12.150 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.443 -5.119 10.911 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.370 -5.216 13.413 1.00 0.00 C ATOM 0 H VAL A 96 -4.776 -4.676 13.850 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.525 -6.744 12.083 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.346 -3.811 12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.363 -4.539 10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.887 -4.817 10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.686 -6.179 10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.292 -4.635 13.445 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.611 -6.279 13.413 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.763 -4.981 14.287 1.00 0.00 H new ATOM 507 N LEU A 97 -3.843 -4.206 10.811 1.00 0.00 N ATOM 508 CA LEU A 97 -3.092 -3.756 9.643 1.00 0.00 C ATOM 509 C LEU A 97 -2.269 -4.897 9.053 1.00 0.00 C ATOM 510 O LEU A 97 -2.295 -5.134 7.845 1.00 0.00 O ATOM 511 CB LEU A 97 -2.175 -2.592 10.019 1.00 0.00 C ATOM 512 CG LEU A 97 -1.376 -1.970 8.873 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.299 -1.223 7.923 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.301 -1.039 9.416 1.00 0.00 C ATOM 0 H LEU A 97 -3.772 -3.590 11.621 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.805 -3.420 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.782 -1.811 10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.474 -2.939 10.778 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.888 -2.772 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.713 -0.787 7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.032 -1.915 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.815 -0.430 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.258 -0.605 8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.768 -0.242 9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.378 -1.602 10.056 1.00 0.00 H new ATOM 526 N ASP A 98 -1.542 -5.601 9.914 1.00 0.00 N ATOM 527 CA ASP A 98 -0.714 -6.720 9.478 1.00 0.00 C ATOM 528 C ASP A 98 -1.523 -7.699 8.633 1.00 0.00 C ATOM 529 O ASP A 98 -1.071 -8.143 7.578 1.00 0.00 O ATOM 530 CB ASP A 98 -0.119 -7.442 10.688 1.00 0.00 C ATOM 531 CG ASP A 98 1.142 -8.210 10.341 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.199 -8.790 9.237 1.00 0.00 O ATOM 533 OD2 ASP A 98 2.072 -8.230 11.174 1.00 0.00 O ATOM 0 H ASP A 98 -1.509 -5.417 10.917 1.00 0.00 H new ATOM 0 HA ASP A 98 0.096 -6.324 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.105 -6.714 11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.859 -8.130 11.097 1.00 0.00 H new ATOM 538 N SER A 99 -2.720 -8.031 9.105 1.00 0.00 N ATOM 539 CA SER A 99 -3.590 -8.961 8.395 1.00 0.00 C ATOM 540 C SER A 99 -3.897 -8.453 6.989 1.00 0.00 C ATOM 541 O SER A 99 -3.813 -9.200 6.014 1.00 0.00 O ATOM 542 CB SER A 99 -4.893 -9.167 9.171 1.00 0.00 C ATOM 543 OG SER A 99 -4.713 -10.085 10.235 1.00 0.00 O ATOM 0 H SER A 99 -3.110 -7.670 9.976 1.00 0.00 H new ATOM 0 HA SER A 99 -3.070 -9.915 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.240 -8.212 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.667 -9.534 8.497 1.00 0.00 H new ATOM 0 HG SER A 99 -5.559 -10.198 10.716 1.00 0.00 H new ATOM 549 N LEU A 100 -4.253 -7.177 6.893 1.00 0.00 N ATOM 550 CA LEU A 100 -4.573 -6.566 5.608 1.00 0.00 C ATOM 551 C LEU A 100 -3.415 -6.722 4.628 1.00 0.00 C ATOM 552 O LEU A 100 -3.617 -7.048 3.457 1.00 0.00 O ATOM 553 CB LEU A 100 -4.904 -5.084 5.792 1.00 0.00 C ATOM 554 CG LEU A 100 -6.311 -4.770 6.302 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.364 -3.369 6.892 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.330 -4.918 5.182 1.00 0.00 C ATOM 0 H LEU A 100 -4.327 -6.545 7.690 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.444 -7.077 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.183 -4.655 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.764 -4.579 4.836 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.559 -5.483 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.373 -3.163 7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.662 -3.297 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.095 -2.641 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.325 -4.691 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.085 -4.229 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.311 -5.941 4.805 1.00 0.00 H new ATOM 568 N LEU A 101 -2.201 -6.489 5.114 1.00 0.00 N ATOM 569 CA LEU A 101 -1.008 -6.606 4.281 1.00 0.00 C ATOM 570 C LEU A 101 -0.845 -8.030 3.760 1.00 0.00 C ATOM 571 O LEU A 101 -0.943 -8.277 2.558 1.00 0.00 O ATOM 572 CB LEU A 101 0.234 -6.196 5.075 1.00 0.00 C ATOM 573 CG LEU A 101 0.180 -4.822 5.744 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.387 -4.619 6.645 1.00 0.00 C ATOM 575 CD2 LEU A 101 0.103 -3.721 4.695 1.00 0.00 C ATOM 0 H LEU A 101 -2.016 -6.218 6.080 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.124 -5.938 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.412 -6.946 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.093 -6.218 4.404 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.718 -4.774 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.331 -3.636 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.398 -5.388 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.299 -4.688 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.065 -2.750 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.983 -3.768 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.794 -3.856 4.091 1.00 0.00 H new ATOM 587 N VAL A 102 -0.597 -8.964 4.672 1.00 0.00 N ATOM 588 CA VAL A 102 -0.424 -10.364 4.305 1.00 0.00 C ATOM 589 C VAL A 102 -1.594 -10.860 3.462 1.00 0.00 C ATOM 590 O VAL A 102 -1.404 -11.588 2.488 1.00 0.00 O ATOM 591 CB VAL A 102 -0.289 -11.259 5.552 1.00 0.00 C ATOM 592 CG1 VAL A 102 0.836 -10.761 6.447 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.604 -11.312 6.315 1.00 0.00 C ATOM 0 H VAL A 102 -0.511 -8.776 5.671 1.00 0.00 H new ATOM 0 HA VAL A 102 0.494 -10.427 3.721 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.043 -12.270 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.917 -11.405 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.776 -10.780 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.623 -9.741 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.490 -11.949 7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.883 -10.306 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.383 -11.719 5.670 1.00 0.00 H new ATOM 603 N GLN A 103 -2.802 -10.460 3.843 1.00 0.00 N ATOM 604 CA GLN A 103 -4.003 -10.864 3.122 1.00 0.00 C ATOM 605 C GLN A 103 -3.792 -10.764 1.614 1.00 0.00 C ATOM 606 O GLN A 103 -4.297 -11.587 0.850 1.00 0.00 O ATOM 607 CB GLN A 103 -5.192 -9.998 3.541 1.00 0.00 C ATOM 608 CG GLN A 103 -5.905 -10.504 4.784 1.00 0.00 C ATOM 609 CD GLN A 103 -6.962 -11.544 4.468 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.693 -12.746 4.486 1.00 0.00 O ATOM 611 NE2 GLN A 103 -8.174 -11.087 4.175 1.00 0.00 N ATOM 0 H GLN A 103 -2.975 -9.857 4.647 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.214 -11.903 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.844 -8.981 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.905 -9.951 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.173 -10.932 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.370 -9.663 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.353 -10.083 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.925 -11.740 3.953 1.00 0.00 H new ATOM 620 N TYR A 104 -3.044 -9.750 1.193 1.00 0.00 N ATOM 621 CA TYR A 104 -2.768 -9.541 -0.223 1.00 0.00 C ATOM 622 C TYR A 104 -1.712 -10.521 -0.724 1.00 0.00 C ATOM 623 O TYR A 104 -1.915 -11.216 -1.718 1.00 0.00 O ATOM 624 CB TYR A 104 -2.303 -8.104 -0.466 1.00 0.00 C ATOM 625 CG TYR A 104 -3.400 -7.076 -0.301 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.387 -6.923 -1.266 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.449 -6.259 0.822 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.390 -5.985 -1.119 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.449 -5.319 0.978 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.417 -5.186 0.005 1.00 0.00 C ATOM 631 OH TYR A 104 -6.416 -4.251 0.156 1.00 0.00 O ATOM 0 H TYR A 104 -2.618 -9.060 1.812 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.691 -9.716 -0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.492 -7.872 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -1.895 -8.029 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.370 -7.548 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.692 -6.361 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.149 -5.878 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.473 -4.692 1.857 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.291 -3.772 1.002 1.00 0.00 H new ATOM 641 N GLY A 105 -0.581 -10.570 -0.025 1.00 0.00 N ATOM 642 CA GLY A 105 0.492 -11.467 -0.413 1.00 0.00 C ATOM 643 C GLY A 105 1.494 -11.689 0.703 1.00 0.00 C ATOM 644 O GLY A 105 1.184 -11.479 1.876 1.00 0.00 O ATOM 0 H GLY A 105 -0.389 -10.005 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.069 -12.426 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.006 -11.059 -1.283 1.00 0.00 H new ATOM 648 N VAL A 106 2.698 -12.116 0.338 1.00 0.00 N ATOM 649 CA VAL A 106 3.749 -12.366 1.318 1.00 0.00 C ATOM 650 C VAL A 106 4.598 -11.120 1.544 1.00 0.00 C ATOM 651 O VAL A 106 5.567 -10.877 0.824 1.00 0.00 O ATOM 652 CB VAL A 106 4.664 -13.524 0.875 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.809 -13.707 1.860 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.863 -14.810 0.731 1.00 0.00 C ATOM 0 H VAL A 106 2.970 -12.296 -0.628 1.00 0.00 H new ATOM 0 HA VAL A 106 3.255 -12.639 2.250 1.00 0.00 H new ATOM 0 HB VAL A 106 5.089 -13.277 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.444 -14.529 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.397 -12.791 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.407 -13.933 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.525 -15.618 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.408 -15.064 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.082 -14.670 -0.016 1.00 0.00 H new ATOM 664 N VAL A 107 4.229 -10.334 2.550 1.00 0.00 N ATOM 665 CA VAL A 107 4.958 -9.113 2.873 1.00 0.00 C ATOM 666 C VAL A 107 6.335 -9.430 3.444 1.00 0.00 C ATOM 667 O VAL A 107 6.452 -10.056 4.497 1.00 0.00 O ATOM 668 CB VAL A 107 4.182 -8.247 3.884 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.866 -9.045 5.139 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.970 -6.991 4.224 1.00 0.00 C ATOM 0 H VAL A 107 3.430 -10.521 3.155 1.00 0.00 H new ATOM 0 HA VAL A 107 5.073 -8.557 1.942 1.00 0.00 H new ATOM 0 HB VAL A 107 3.239 -7.944 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.318 -8.417 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.259 -9.911 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.795 -9.380 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.407 -6.391 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.929 -7.270 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.139 -6.411 3.317 1.00 0.00 H new ATOM 680 N GLU A 108 7.376 -8.992 2.742 1.00 0.00 N ATOM 681 CA GLU A 108 8.746 -9.230 3.180 1.00 0.00 C ATOM 682 C GLU A 108 9.067 -8.415 4.430 1.00 0.00 C ATOM 683 O GLU A 108 9.584 -8.945 5.414 1.00 0.00 O ATOM 684 CB GLU A 108 9.731 -8.879 2.063 1.00 0.00 C ATOM 685 CG GLU A 108 11.018 -9.684 2.111 1.00 0.00 C ATOM 686 CD GLU A 108 11.846 -9.388 3.347 1.00 0.00 C ATOM 687 OE1 GLU A 108 12.212 -8.211 3.548 1.00 0.00 O ATOM 688 OE2 GLU A 108 12.127 -10.334 4.112 1.00 0.00 O ATOM 0 H GLU A 108 7.296 -8.471 1.869 1.00 0.00 H new ATOM 0 HA GLU A 108 8.844 -10.288 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.247 -9.040 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.974 -7.818 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.778 -10.747 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.610 -9.469 1.222 1.00 0.00 H new ATOM 695 N SER A 109 8.757 -7.124 4.383 1.00 0.00 N ATOM 696 CA SER A 109 9.016 -6.234 5.509 1.00 0.00 C ATOM 697 C SER A 109 8.104 -5.012 5.456 1.00 0.00 C ATOM 698 O SER A 109 7.823 -4.479 4.382 1.00 0.00 O ATOM 699 CB SER A 109 10.481 -5.791 5.510 1.00 0.00 C ATOM 700 OG SER A 109 10.880 -5.354 6.798 1.00 0.00 O ATOM 0 H SER A 109 8.326 -6.670 3.577 1.00 0.00 H new ATOM 0 HA SER A 109 8.809 -6.782 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.115 -6.618 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.621 -4.985 4.789 1.00 0.00 H new ATOM 0 HG SER A 109 11.820 -5.078 6.773 1.00 0.00 H new ATOM 706 N CYS A 110 7.645 -4.574 6.623 1.00 0.00 N ATOM 707 CA CYS A 110 6.764 -3.415 6.712 1.00 0.00 C ATOM 708 C CYS A 110 7.421 -2.291 7.507 1.00 0.00 C ATOM 709 O CYS A 110 7.410 -2.301 8.737 1.00 0.00 O ATOM 710 CB CYS A 110 5.436 -3.807 7.362 1.00 0.00 C ATOM 711 SG CYS A 110 4.233 -2.460 7.453 1.00 0.00 S ATOM 0 H CYS A 110 7.868 -5.004 7.521 1.00 0.00 H new ATOM 0 HA CYS A 110 6.574 -3.056 5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.999 -4.633 6.801 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.631 -4.174 8.370 1.00 0.00 H new ATOM 0 HG CYS A 110 3.143 -2.889 8.016 1.00 0.00 H new ATOM 717 N GLU A 111 7.994 -1.326 6.795 1.00 0.00 N ATOM 718 CA GLU A 111 8.659 -0.197 7.435 1.00 0.00 C ATOM 719 C GLU A 111 7.669 0.930 7.714 1.00 0.00 C ATOM 720 O GLU A 111 6.685 1.097 6.995 1.00 0.00 O ATOM 721 CB GLU A 111 9.799 0.318 6.554 1.00 0.00 C ATOM 722 CG GLU A 111 10.742 1.268 7.273 1.00 0.00 C ATOM 723 CD GLU A 111 12.006 1.545 6.483 1.00 0.00 C ATOM 724 OE1 GLU A 111 11.894 1.985 5.320 1.00 0.00 O ATOM 725 OE2 GLU A 111 13.108 1.321 7.027 1.00 0.00 O ATOM 0 H GLU A 111 8.011 -1.303 5.775 1.00 0.00 H new ATOM 0 HA GLU A 111 9.070 -0.541 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.369 -0.532 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.376 0.826 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.226 2.208 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.009 0.845 8.242 1.00 0.00 H new ATOM 732 N GLN A 112 7.937 1.698 8.765 1.00 0.00 N ATOM 733 CA GLN A 112 7.070 2.808 9.141 1.00 0.00 C ATOM 734 C GLN A 112 7.556 4.114 8.520 1.00 0.00 C ATOM 735 O GLN A 112 8.747 4.284 8.261 1.00 0.00 O ATOM 736 CB GLN A 112 7.011 2.945 10.663 1.00 0.00 C ATOM 737 CG GLN A 112 5.817 3.746 11.156 1.00 0.00 C ATOM 738 CD GLN A 112 6.101 5.234 11.224 1.00 0.00 C ATOM 739 OE1 GLN A 112 7.257 5.657 11.230 1.00 0.00 O ATOM 740 NE2 GLN A 112 5.045 6.037 11.275 1.00 0.00 N ATOM 0 H GLN A 112 8.748 1.572 9.371 1.00 0.00 H new ATOM 0 HA GLN A 112 6.069 2.597 8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.979 1.950 11.108 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.927 3.422 11.012 1.00 0.00 H new ATOM 0 HG2 GLN A 112 4.969 3.572 10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.528 3.389 12.145 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.104 5.643 11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 112 5.175 7.048 11.321 1.00 0.00 H new ATOM 749 N VAL A 113 6.626 5.033 8.283 1.00 0.00 N ATOM 750 CA VAL A 113 6.960 6.324 7.693 1.00 0.00 C ATOM 751 C VAL A 113 5.986 7.405 8.148 1.00 0.00 C ATOM 752 O VAL A 113 4.875 7.109 8.587 1.00 0.00 O ATOM 753 CB VAL A 113 6.952 6.257 6.154 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.335 7.603 5.559 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.888 5.162 5.665 1.00 0.00 C ATOM 0 H VAL A 113 5.635 4.908 8.490 1.00 0.00 H new ATOM 0 HA VAL A 113 7.964 6.577 8.033 1.00 0.00 H new ATOM 0 HB VAL A 113 5.942 6.015 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.324 7.536 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.622 8.360 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.335 7.878 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.871 5.128 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.902 5.371 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.563 4.201 6.063 1.00 0.00 H new ATOM 765 N ASN A 114 6.410 8.660 8.040 1.00 0.00 N ATOM 766 CA ASN A 114 5.575 9.786 8.441 1.00 0.00 C ATOM 767 C ASN A 114 5.542 10.854 7.351 1.00 0.00 C ATOM 768 O ASN A 114 6.571 11.432 7.001 1.00 0.00 O ATOM 769 CB ASN A 114 6.091 10.391 9.748 1.00 0.00 C ATOM 770 CG ASN A 114 7.135 11.466 9.515 1.00 0.00 C ATOM 771 OD1 ASN A 114 8.217 11.194 8.995 1.00 0.00 O ATOM 772 ND2 ASN A 114 6.814 12.696 9.899 1.00 0.00 N ATOM 0 H ASN A 114 7.327 8.923 7.678 1.00 0.00 H new ATOM 0 HA ASN A 114 4.561 9.417 8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.255 10.815 10.304 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.518 9.602 10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.476 13.461 9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.905 12.876 10.326 1.00 0.00 H new ATOM 779 N THR A 115 4.351 11.111 6.818 1.00 0.00 N ATOM 780 CA THR A 115 4.183 12.108 5.769 1.00 0.00 C ATOM 781 C THR A 115 3.855 13.475 6.357 1.00 0.00 C ATOM 782 O THR A 115 3.224 14.307 5.704 1.00 0.00 O ATOM 783 CB THR A 115 3.070 11.705 4.784 1.00 0.00 C ATOM 784 OG1 THR A 115 3.075 12.582 3.652 1.00 0.00 O ATOM 785 CG2 THR A 115 1.707 11.749 5.459 1.00 0.00 C ATOM 0 H THR A 115 3.489 10.642 7.096 1.00 0.00 H new ATOM 0 HA THR A 115 5.130 12.164 5.232 1.00 0.00 H new ATOM 0 HB THR A 115 3.262 10.684 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.080 13.513 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.937 11.460 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.696 11.058 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.510 12.760 5.816 1.00 0.00 H new ATOM 793 N ASP A 116 4.287 13.702 7.592 1.00 0.00 N ATOM 794 CA ASP A 116 4.041 14.971 8.268 1.00 0.00 C ATOM 795 C ASP A 116 2.552 15.305 8.270 1.00 0.00 C ATOM 796 O ASP A 116 2.167 16.470 8.167 1.00 0.00 O ATOM 797 CB ASP A 116 4.827 16.094 7.592 1.00 0.00 C ATOM 798 CG ASP A 116 6.236 16.225 8.138 1.00 0.00 C ATOM 799 OD1 ASP A 116 6.429 15.979 9.347 1.00 0.00 O ATOM 800 OD2 ASP A 116 7.145 16.573 7.356 1.00 0.00 O ATOM 0 H ASP A 116 4.810 13.024 8.146 1.00 0.00 H new ATOM 0 HA ASP A 116 4.375 14.875 9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.872 15.907 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.298 17.037 7.729 1.00 0.00 H new ATOM 805 N SER A 117 1.720 14.275 8.387 1.00 0.00 N ATOM 806 CA SER A 117 0.273 14.459 8.397 1.00 0.00 C ATOM 807 C SER A 117 -0.370 13.641 9.512 1.00 0.00 C ATOM 808 O SER A 117 0.240 12.719 10.051 1.00 0.00 O ATOM 809 CB SER A 117 -0.323 14.058 7.046 1.00 0.00 C ATOM 810 OG SER A 117 -1.622 14.599 6.881 1.00 0.00 O ATOM 0 H SER A 117 2.023 13.305 8.476 1.00 0.00 H new ATOM 0 HA SER A 117 0.067 15.514 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.324 14.407 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.366 12.971 6.972 1.00 0.00 H new ATOM 0 HG SER A 117 -1.980 14.330 6.009 1.00 0.00 H new ATOM 816 N GLU A 118 -1.608 13.987 9.853 1.00 0.00 N ATOM 817 CA GLU A 118 -2.335 13.286 10.905 1.00 0.00 C ATOM 818 C GLU A 118 -2.379 11.786 10.628 1.00 0.00 C ATOM 819 O GLU A 118 -1.930 10.978 11.441 1.00 0.00 O ATOM 820 CB GLU A 118 -3.757 13.836 11.027 1.00 0.00 C ATOM 821 CG GLU A 118 -4.344 13.703 12.422 1.00 0.00 C ATOM 822 CD GLU A 118 -4.809 12.292 12.727 1.00 0.00 C ATOM 823 OE1 GLU A 118 -5.968 11.965 12.394 1.00 0.00 O ATOM 824 OE2 GLU A 118 -4.016 11.515 13.299 1.00 0.00 O ATOM 0 H GLU A 118 -2.128 14.748 9.416 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.809 13.449 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.756 14.888 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.401 13.314 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.596 14.002 13.157 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.185 14.389 12.525 1.00 0.00 H new ATOM 831 N THR A 119 -2.926 11.419 9.472 1.00 0.00 N ATOM 832 CA THR A 119 -3.032 10.017 9.087 1.00 0.00 C ATOM 833 C THR A 119 -1.688 9.309 9.216 1.00 0.00 C ATOM 834 O THR A 119 -0.636 9.947 9.201 1.00 0.00 O ATOM 835 CB THR A 119 -3.542 9.869 7.642 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.728 10.642 6.753 1.00 0.00 O ATOM 837 CG2 THR A 119 -4.991 10.318 7.530 1.00 0.00 C ATOM 0 H THR A 119 -3.302 12.074 8.787 1.00 0.00 H new ATOM 0 HA THR A 119 -3.749 9.555 9.766 1.00 0.00 H new ATOM 0 HB THR A 119 -3.482 8.816 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.147 10.671 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.329 10.204 6.500 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.613 9.708 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.071 11.364 7.825 1.00 0.00 H new ATOM 845 N ALA A 120 -1.731 7.987 9.341 1.00 0.00 N ATOM 846 CA ALA A 120 -0.517 7.191 9.469 1.00 0.00 C ATOM 847 C ALA A 120 0.065 6.854 8.101 1.00 0.00 C ATOM 848 O ALA A 120 -0.635 6.899 7.089 1.00 0.00 O ATOM 849 CB ALA A 120 -0.799 5.919 10.253 1.00 0.00 C ATOM 0 H ALA A 120 -2.594 7.444 9.356 1.00 0.00 H new ATOM 0 HA ALA A 120 0.220 7.783 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.117 5.335 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.161 6.178 11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.556 5.331 9.733 1.00 0.00 H new ATOM 855 N VAL A 121 1.350 6.515 8.076 1.00 0.00 N ATOM 856 CA VAL A 121 2.026 6.169 6.831 1.00 0.00 C ATOM 857 C VAL A 121 3.016 5.029 7.042 1.00 0.00 C ATOM 858 O VAL A 121 3.742 4.998 8.036 1.00 0.00 O ATOM 859 CB VAL A 121 2.773 7.381 6.243 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.481 6.996 4.953 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.812 8.537 6.009 1.00 0.00 C ATOM 0 H VAL A 121 1.944 6.473 8.904 1.00 0.00 H new ATOM 0 HA VAL A 121 1.255 5.851 6.129 1.00 0.00 H new ATOM 0 HB VAL A 121 3.527 7.705 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.003 7.864 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.200 6.202 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.748 6.646 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.357 9.385 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.034 8.228 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.355 8.828 6.955 1.00 0.00 H new ATOM 871 N VAL A 122 3.040 4.092 6.100 1.00 0.00 N ATOM 872 CA VAL A 122 3.942 2.949 6.180 1.00 0.00 C ATOM 873 C VAL A 122 4.292 2.426 4.792 1.00 0.00 C ATOM 874 O VAL A 122 3.503 2.546 3.855 1.00 0.00 O ATOM 875 CB VAL A 122 3.326 1.805 7.008 1.00 0.00 C ATOM 876 CG1 VAL A 122 3.054 2.264 8.433 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.052 1.298 6.350 1.00 0.00 C ATOM 0 H VAL A 122 2.445 4.102 5.272 1.00 0.00 H new ATOM 0 HA VAL A 122 4.850 3.297 6.673 1.00 0.00 H new ATOM 0 HB VAL A 122 4.040 0.982 7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.619 1.443 9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.989 2.575 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.359 3.104 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.630 0.490 6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.330 2.112 6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.281 0.928 5.351 1.00 0.00 H new ATOM 887 N ASN A 123 5.480 1.843 4.667 1.00 0.00 N ATOM 888 CA ASN A 123 5.935 1.301 3.392 1.00 0.00 C ATOM 889 C ASN A 123 5.887 -0.224 3.402 1.00 0.00 C ATOM 890 O ASN A 123 6.489 -0.870 4.259 1.00 0.00 O ATOM 891 CB ASN A 123 7.358 1.775 3.091 1.00 0.00 C ATOM 892 CG ASN A 123 7.419 3.257 2.776 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.396 3.889 2.507 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.621 3.820 2.807 1.00 0.00 N ATOM 0 H ASN A 123 6.145 1.734 5.433 1.00 0.00 H new ATOM 0 HA ASN A 123 5.266 1.664 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.998 1.562 3.947 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.755 1.210 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.724 4.814 2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.441 3.258 3.035 1.00 0.00 H new ATOM 901 N VAL A 124 5.166 -0.794 2.441 1.00 0.00 N ATOM 902 CA VAL A 124 5.039 -2.243 2.337 1.00 0.00 C ATOM 903 C VAL A 124 6.001 -2.805 1.296 1.00 0.00 C ATOM 904 O VAL A 124 6.094 -2.293 0.179 1.00 0.00 O ATOM 905 CB VAL A 124 3.602 -2.656 1.969 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.524 -4.155 1.724 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.631 -2.234 3.061 1.00 0.00 C ATOM 0 H VAL A 124 4.661 -0.274 1.723 1.00 0.00 H new ATOM 0 HA VAL A 124 5.287 -2.654 3.316 1.00 0.00 H new ATOM 0 HB VAL A 124 3.320 -2.147 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.501 -4.429 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.190 -4.425 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.825 -4.687 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.620 -2.534 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.908 -2.714 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.668 -1.151 3.182 1.00 0.00 H new ATOM 917 N THR A 125 6.716 -3.862 1.668 1.00 0.00 N ATOM 918 CA THR A 125 7.671 -4.494 0.767 1.00 0.00 C ATOM 919 C THR A 125 7.390 -5.986 0.626 1.00 0.00 C ATOM 920 O THR A 125 7.770 -6.783 1.485 1.00 0.00 O ATOM 921 CB THR A 125 9.118 -4.300 1.256 1.00 0.00 C ATOM 922 OG1 THR A 125 9.270 -2.997 1.831 1.00 0.00 O ATOM 923 CG2 THR A 125 10.105 -4.473 0.111 1.00 0.00 C ATOM 0 H THR A 125 6.652 -4.298 2.588 1.00 0.00 H new ATOM 0 HA THR A 125 7.556 -4.012 -0.204 1.00 0.00 H new ATOM 0 HB THR A 125 9.327 -5.057 2.012 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.192 -2.882 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.120 -4.331 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.007 -5.476 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.895 -3.736 -0.664 1.00 0.00 H new ATOM 931 N TYR A 126 6.724 -6.358 -0.462 1.00 0.00 N ATOM 932 CA TYR A 126 6.391 -7.754 -0.714 1.00 0.00 C ATOM 933 C TYR A 126 7.557 -8.481 -1.377 1.00 0.00 C ATOM 934 O TYR A 126 8.572 -7.872 -1.714 1.00 0.00 O ATOM 935 CB TYR A 126 5.145 -7.852 -1.596 1.00 0.00 C ATOM 936 CG TYR A 126 3.873 -7.432 -0.896 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.310 -8.223 0.098 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.234 -6.244 -1.229 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.147 -7.843 0.739 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.071 -5.855 -0.591 1.00 0.00 C ATOM 941 CZ TYR A 126 1.531 -6.659 0.391 1.00 0.00 C ATOM 942 OH TYR A 126 0.373 -6.276 1.029 1.00 0.00 O ATOM 0 H TYR A 126 6.404 -5.711 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 126 6.187 -8.231 0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.286 -7.230 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.036 -8.879 -1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.790 -9.150 0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.653 -5.614 -1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.722 -8.470 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.588 -4.927 -0.860 1.00 0.00 H new ATOM 0 HH TYR A 126 0.004 -7.038 1.523 1.00 0.00 H new ATOM 952 N SER A 127 7.402 -9.789 -1.562 1.00 0.00 N ATOM 953 CA SER A 127 8.442 -10.601 -2.183 1.00 0.00 C ATOM 954 C SER A 127 8.258 -10.657 -3.696 1.00 0.00 C ATOM 955 O SER A 127 9.212 -10.492 -4.455 1.00 0.00 O ATOM 956 CB SER A 127 8.426 -12.017 -1.603 1.00 0.00 C ATOM 957 OG SER A 127 9.547 -12.762 -2.048 1.00 0.00 O ATOM 0 H SER A 127 6.567 -10.308 -1.291 1.00 0.00 H new ATOM 0 HA SER A 127 9.406 -10.138 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.427 -11.968 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.508 -12.524 -1.898 1.00 0.00 H new ATOM 0 HG SER A 127 9.515 -13.663 -1.663 1.00 0.00 H new ATOM 963 N SER A 128 7.022 -10.890 -4.127 1.00 0.00 N ATOM 964 CA SER A 128 6.711 -10.972 -5.549 1.00 0.00 C ATOM 965 C SER A 128 5.986 -9.715 -6.020 1.00 0.00 C ATOM 966 O SER A 128 5.326 -9.033 -5.235 1.00 0.00 O ATOM 967 CB SER A 128 5.854 -12.206 -5.836 1.00 0.00 C ATOM 968 OG SER A 128 6.575 -13.399 -5.578 1.00 0.00 O ATOM 0 H SER A 128 6.220 -11.025 -3.511 1.00 0.00 H new ATOM 0 HA SER A 128 7.650 -11.056 -6.096 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.955 -12.180 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.528 -12.192 -6.876 1.00 0.00 H new ATOM 0 HG SER A 128 6.005 -14.173 -5.767 1.00 0.00 H new ATOM 974 N LYS A 129 6.113 -9.413 -7.308 1.00 0.00 N ATOM 975 CA LYS A 129 5.469 -8.240 -7.886 1.00 0.00 C ATOM 976 C LYS A 129 3.954 -8.412 -7.923 1.00 0.00 C ATOM 977 O LYS A 129 3.212 -7.577 -7.407 1.00 0.00 O ATOM 978 CB LYS A 129 5.999 -7.987 -9.299 1.00 0.00 C ATOM 979 CG LYS A 129 5.558 -6.657 -9.885 1.00 0.00 C ATOM 980 CD LYS A 129 6.507 -5.535 -9.499 1.00 0.00 C ATOM 981 CE LYS A 129 6.234 -4.273 -10.303 1.00 0.00 C ATOM 982 NZ LYS A 129 4.954 -3.626 -9.902 1.00 0.00 N ATOM 0 H LYS A 129 6.657 -9.965 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 129 5.703 -7.381 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.088 -8.023 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.664 -8.792 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 129 5.509 -6.735 -10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.553 -6.420 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.404 -5.320 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.536 -5.855 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.055 -3.570 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.200 -4.519 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 4.623 -3.007 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.239 -4.358 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 5.105 -3.061 -9.042 1.00 0.00 H new ATOM 996 N ASP A 130 3.502 -9.501 -8.536 1.00 0.00 N ATOM 997 CA ASP A 130 2.076 -9.785 -8.638 1.00 0.00 C ATOM 998 C ASP A 130 1.373 -9.521 -7.309 1.00 0.00 C ATOM 999 O ASP A 130 0.393 -8.779 -7.252 1.00 0.00 O ATOM 1000 CB ASP A 130 1.852 -11.235 -9.069 1.00 0.00 C ATOM 1001 CG ASP A 130 2.318 -11.496 -10.487 1.00 0.00 C ATOM 1002 OD1 ASP A 130 2.339 -10.540 -11.290 1.00 0.00 O ATOM 1003 OD2 ASP A 130 2.662 -12.657 -10.795 1.00 0.00 O ATOM 0 H ASP A 130 4.103 -10.201 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 130 1.651 -9.121 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.383 -11.900 -8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 130 0.792 -11.475 -8.988 1.00 0.00 H new ATOM 1008 N GLN A 131 1.881 -10.135 -6.245 1.00 0.00 N ATOM 1009 CA GLN A 131 1.300 -9.968 -4.918 1.00 0.00 C ATOM 1010 C GLN A 131 1.221 -8.493 -4.541 1.00 0.00 C ATOM 1011 O GLN A 131 0.261 -8.055 -3.907 1.00 0.00 O ATOM 1012 CB GLN A 131 2.124 -10.729 -3.879 1.00 0.00 C ATOM 1013 CG GLN A 131 1.727 -12.190 -3.738 1.00 0.00 C ATOM 1014 CD GLN A 131 2.581 -12.932 -2.729 1.00 0.00 C ATOM 1015 OE1 GLN A 131 2.070 -13.694 -1.907 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.890 -12.714 -2.786 1.00 0.00 N ATOM 0 H GLN A 131 2.693 -10.752 -6.276 1.00 0.00 H new ATOM 0 HA GLN A 131 0.289 -10.374 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.178 -10.672 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.017 -10.237 -2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.681 -12.251 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.809 -12.680 -4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.271 -12.074 -3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.515 -13.186 -2.132 1.00 0.00 H new ATOM 1025 N ALA A 132 2.236 -7.731 -4.935 1.00 0.00 N ATOM 1026 CA ALA A 132 2.280 -6.304 -4.639 1.00 0.00 C ATOM 1027 C ALA A 132 1.272 -5.536 -5.489 1.00 0.00 C ATOM 1028 O ALA A 132 0.624 -4.606 -5.010 1.00 0.00 O ATOM 1029 CB ALA A 132 3.683 -5.762 -4.863 1.00 0.00 C ATOM 0 H ALA A 132 3.039 -8.078 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 132 2.012 -6.167 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.701 -4.696 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.383 -6.283 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.972 -5.919 -5.902 1.00 0.00 H new ATOM 1035 N ARG A 133 1.147 -5.931 -6.751 1.00 0.00 N ATOM 1036 CA ARG A 133 0.220 -5.278 -7.668 1.00 0.00 C ATOM 1037 C ARG A 133 -1.178 -5.198 -7.061 1.00 0.00 C ATOM 1038 O ARG A 133 -1.838 -4.161 -7.135 1.00 0.00 O ATOM 1039 CB ARG A 133 0.168 -6.032 -8.997 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.670 -5.338 -10.059 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.468 -5.969 -11.428 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.360 -5.394 -12.432 1.00 0.00 N ATOM 1043 CZ ARG A 133 -1.110 -4.258 -13.073 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -0.001 -3.579 -12.817 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -1.970 -3.800 -13.974 1.00 0.00 N ATOM 0 H ARG A 133 1.676 -6.700 -7.162 1.00 0.00 H new ATOM 0 HA ARG A 133 0.579 -4.264 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.183 -6.159 -9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.235 -7.030 -8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.724 -5.391 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.404 -4.282 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.567 -5.832 -11.741 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.641 -7.043 -11.361 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.222 -5.892 -12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.663 -3.929 -12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.188 -2.707 -13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.824 -4.321 -14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -1.777 -2.927 -14.466 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.622 -6.298 -6.463 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.942 -6.352 -5.845 1.00 0.00 C ATOM 1061 C GLN A 134 -3.025 -5.402 -4.655 1.00 0.00 C ATOM 1062 O GLN A 134 -3.837 -4.477 -4.642 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.260 -7.779 -5.396 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.742 -8.116 -5.447 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.161 -8.705 -6.779 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -5.091 -9.916 -6.986 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.602 -7.847 -7.693 1.00 0.00 N ATOM 0 H GLN A 134 -1.088 -7.164 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.676 -6.040 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.714 -8.480 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.899 -7.920 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.978 -8.823 -4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.323 -7.214 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.644 -6.851 -7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.899 -8.185 -8.608 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.179 -5.635 -3.657 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.156 -4.799 -2.463 1.00 0.00 C ATOM 1078 C ALA A 135 -2.443 -3.342 -2.809 1.00 0.00 C ATOM 1079 O ALA A 135 -3.328 -2.717 -2.223 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.813 -4.922 -1.759 1.00 0.00 C ATOM 0 H ALA A 135 -1.500 -6.396 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.940 -5.147 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.810 -4.293 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.647 -5.960 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.018 -4.602 -2.433 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.689 -2.805 -3.762 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.861 -1.420 -4.185 1.00 0.00 C ATOM 1088 C LEU A 136 -3.140 -1.255 -4.999 1.00 0.00 C ATOM 1089 O LEU A 136 -3.984 -0.415 -4.685 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.656 -0.963 -5.009 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.807 0.374 -5.734 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.557 0.946 -6.089 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.659 0.209 -6.984 1.00 0.00 C ATOM 0 H LEU A 136 -0.952 -3.308 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.938 -0.800 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.208 -0.899 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.435 -1.732 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.309 1.073 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.429 1.898 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.135 1.101 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.086 0.249 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.756 1.171 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.185 -0.506 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.648 -0.156 -6.705 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.277 -2.062 -6.046 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.455 -2.007 -6.904 1.00 0.00 C ATOM 1107 C ASP A 137 -5.723 -1.825 -6.075 1.00 0.00 C ATOM 1108 O ASP A 137 -6.727 -1.305 -6.563 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.559 -3.281 -7.745 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.782 -3.182 -9.043 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.647 -2.663 -9.016 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.309 -3.624 -10.085 1.00 0.00 O ATOM 0 H ASP A 137 -2.587 -2.761 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.351 -1.149 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.188 -4.127 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.607 -3.482 -7.967 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.671 -2.258 -4.820 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.814 -2.143 -3.923 1.00 0.00 C ATOM 1119 C LYS A 138 -6.593 -1.035 -2.899 1.00 0.00 C ATOM 1120 O LYS A 138 -7.324 -0.043 -2.874 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.061 -3.473 -3.206 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.450 -4.605 -4.140 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.837 -4.395 -4.724 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.408 -5.689 -5.284 1.00 0.00 C ATOM 1125 NZ LYS A 138 -8.598 -6.206 -6.422 1.00 0.00 N ATOM 0 H LYS A 138 -4.849 -2.692 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.690 -1.891 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.160 -3.756 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.850 -3.336 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.722 -4.678 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.422 -5.551 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.502 -4.006 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.791 -3.645 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.447 -6.440 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -10.433 -5.521 -5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -9.039 -7.070 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -8.553 -5.486 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -7.636 -6.423 -6.093 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.581 -1.207 -2.056 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.262 -0.220 -1.030 1.00 0.00 C ATOM 1141 C LEU A 139 -5.269 1.190 -1.611 1.00 0.00 C ATOM 1142 O LEU A 139 -5.820 2.115 -1.015 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.897 -0.522 -0.411 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.797 -1.818 0.395 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.346 -2.129 0.728 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.630 -1.722 1.665 1.00 0.00 C ATOM 0 H LEU A 139 -4.967 -2.021 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.026 -0.278 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.157 -0.557 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.624 0.309 0.239 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.191 -2.633 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.295 -3.054 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.777 -2.242 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.925 -1.314 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.547 -2.653 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.267 -0.896 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.674 -1.548 1.403 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.656 1.346 -2.780 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.593 2.644 -3.442 1.00 0.00 C ATOM 1160 C ASN A 140 -5.908 3.400 -3.284 1.00 0.00 C ATOM 1161 O ASN A 140 -5.930 4.630 -3.258 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.269 2.466 -4.927 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.751 3.634 -5.767 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.951 3.891 -5.863 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.813 4.346 -6.381 1.00 0.00 N ATOM 0 H ASN A 140 -4.196 0.590 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.801 3.227 -2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.192 2.353 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.729 1.547 -5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -4.076 5.143 -6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.830 4.096 -6.272 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.004 2.655 -3.177 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.308 3.272 -3.022 1.00 0.00 C ATOM 1174 C GLY A 141 -9.173 2.551 -2.007 1.00 0.00 C ATOM 1175 O GLY A 141 -10.387 2.751 -1.962 1.00 0.00 O ATOM 0 H GLY A 141 -7.012 1.635 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.181 4.310 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.818 3.285 -3.985 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.549 1.708 -1.192 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.270 0.952 -0.174 1.00 0.00 C ATOM 1181 C PHE A 142 -9.765 1.872 0.938 1.00 0.00 C ATOM 1182 O PHE A 142 -9.000 2.261 1.821 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.373 -0.139 0.412 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.094 -1.073 1.342 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.500 -0.645 2.596 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.366 -2.377 0.963 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.163 -1.502 3.454 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.029 -3.239 1.816 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.429 -2.800 3.063 1.00 0.00 C ATOM 0 H PHE A 142 -7.545 1.531 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.134 0.486 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -7.937 -0.716 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.548 0.330 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.296 0.369 2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.056 -2.725 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.473 -1.157 4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.234 -4.254 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.949 -3.470 3.731 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.048 2.216 0.887 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.644 3.091 1.889 1.00 0.00 C ATOM 1201 C GLN A 143 -11.697 2.404 3.250 1.00 0.00 C ATOM 1202 O GLN A 143 -12.282 1.329 3.392 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.052 3.508 1.460 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.464 4.878 1.975 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.782 5.347 1.393 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.466 4.601 0.691 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.148 6.591 1.681 1.00 0.00 N ATOM 0 H GLN A 143 -11.694 1.902 0.163 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.020 3.980 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.106 3.507 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.766 2.765 1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.542 4.845 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.686 5.602 1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -14.551 7.176 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.026 6.962 1.317 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.083 3.030 4.247 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.060 2.478 5.598 1.00 0.00 C ATOM 1218 C LEU A 144 -11.307 3.569 6.636 1.00 0.00 C ATOM 1219 O LEU A 144 -10.575 4.556 6.697 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.718 1.795 5.868 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.703 0.770 7.003 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.526 -0.180 6.848 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.652 1.470 8.353 1.00 0.00 C ATOM 0 H LEU A 144 -10.594 3.920 4.146 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.858 1.740 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.395 1.299 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.979 2.565 6.091 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.623 0.187 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.531 -0.902 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.606 -0.707 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.595 0.387 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.642 0.725 9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.749 2.078 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.528 2.109 8.465 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.341 3.380 7.450 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.682 4.348 8.486 1.00 0.00 C ATOM 1237 C GLU A 145 -12.826 5.748 7.897 1.00 0.00 C ATOM 1238 O GLU A 145 -12.312 6.721 8.448 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.616 4.351 9.583 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.677 3.138 10.496 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.202 3.442 11.903 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -11.600 4.493 12.449 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.433 2.630 12.459 1.00 0.00 O ATOM 0 H GLU A 145 -12.956 2.567 7.412 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.638 4.056 8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.630 4.397 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.728 5.253 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.702 2.768 10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.066 2.340 10.075 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.527 5.841 6.772 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.738 7.122 6.106 1.00 0.00 C ATOM 1252 C ASN A 146 -12.408 7.748 5.698 1.00 0.00 C ATOM 1253 O ASN A 146 -12.213 8.957 5.829 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.505 8.077 7.023 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.847 7.515 7.450 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.977 6.320 7.712 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.853 8.379 7.522 1.00 0.00 N ATOM 0 H ASN A 146 -13.959 5.045 6.302 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.326 6.943 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.904 8.288 7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.658 9.026 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.780 8.060 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.699 9.361 7.295 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.496 6.918 5.203 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.184 7.390 4.777 1.00 0.00 C ATOM 1266 C PHE A 147 -9.674 6.578 3.589 1.00 0.00 C ATOM 1267 O PHE A 147 -9.261 5.428 3.740 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.187 7.304 5.934 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.255 8.475 6.872 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.767 9.714 6.490 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.806 8.336 8.135 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.828 10.794 7.351 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.870 9.412 9.000 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.380 10.642 8.608 1.00 0.00 C ATOM 0 H PHE A 147 -11.641 5.915 5.087 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.282 8.431 4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.372 6.388 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.178 7.231 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.334 9.838 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.190 7.376 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.445 11.755 7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.303 9.291 9.982 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.428 11.484 9.283 1.00 0.00 H new ATOM 1284 N THR A 148 -9.706 7.186 2.407 1.00 0.00 N ATOM 1285 CA THR A 148 -9.249 6.521 1.193 1.00 0.00 C ATOM 1286 C THR A 148 -7.739 6.312 1.216 1.00 0.00 C ATOM 1287 O THR A 148 -6.970 7.242 0.970 1.00 0.00 O ATOM 1288 CB THR A 148 -9.626 7.326 -0.064 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.008 7.697 -0.012 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.360 6.517 -1.325 1.00 0.00 C ATOM 0 H THR A 148 -10.044 8.138 2.265 1.00 0.00 H new ATOM 0 HA THR A 148 -9.746 5.552 1.157 1.00 0.00 H new ATOM 0 HB THR A 148 -9.010 8.225 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.239 8.210 -0.814 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.634 7.106 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.302 6.261 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.953 5.603 -1.303 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.321 5.087 1.511 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.901 4.755 1.564 1.00 0.00 C ATOM 1300 C LEU A 149 -5.229 5.018 0.220 1.00 0.00 C ATOM 1301 O LEU A 149 -5.656 4.498 -0.811 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.713 3.290 1.963 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.349 2.869 3.289 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.259 1.362 3.469 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.682 3.588 4.452 1.00 0.00 C ATOM 0 H LEU A 149 -7.944 4.307 1.717 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.433 5.392 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.123 2.663 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.644 3.082 2.013 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.402 3.150 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.716 1.081 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.783 0.866 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.213 1.057 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.147 3.276 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.621 3.339 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.799 4.665 4.330 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.175 5.826 0.239 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.441 6.156 -0.976 1.00 0.00 C ATOM 1319 C LYS A 150 -2.165 5.327 -1.084 1.00 0.00 C ATOM 1320 O LYS A 150 -1.358 5.288 -0.155 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.096 7.647 -1.000 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.312 8.553 -0.925 1.00 0.00 C ATOM 1323 CD LYS A 150 -3.924 10.018 -1.042 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.063 10.853 -1.607 1.00 0.00 C ATOM 1325 NZ LYS A 150 -4.566 12.082 -2.285 1.00 0.00 N ATOM 0 H LYS A 150 -3.810 6.265 1.084 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.078 5.923 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.434 7.872 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.544 7.869 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.009 8.295 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.832 8.388 0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.643 10.401 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.048 10.113 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.636 10.254 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.743 11.132 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.372 12.624 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.041 12.666 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.937 11.816 -3.069 1.00 0.00 H new ATOM 1339 N VAL A 151 -1.989 4.665 -2.223 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.810 3.838 -2.452 1.00 0.00 C ATOM 1341 C VAL A 151 -0.111 4.226 -3.751 1.00 0.00 C ATOM 1342 O VAL A 151 -0.761 4.518 -4.754 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.174 2.343 -2.505 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.066 1.499 -2.757 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -1.866 1.918 -1.218 1.00 0.00 C ATOM 0 H VAL A 151 -2.648 4.685 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.135 4.010 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.865 2.184 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.212 0.446 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.515 1.787 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.785 1.659 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.116 0.859 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.200 2.091 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.778 2.500 -1.086 1.00 0.00 H new ATOM 1355 N ALA A 152 1.217 4.226 -3.724 1.00 0.00 N ATOM 1356 CA ALA A 152 2.005 4.575 -4.900 1.00 0.00 C ATOM 1357 C ALA A 152 3.311 3.788 -4.939 1.00 0.00 C ATOM 1358 O ALA A 152 3.926 3.535 -3.903 1.00 0.00 O ATOM 1359 CB ALA A 152 2.286 6.070 -4.922 1.00 0.00 C ATOM 0 H ALA A 152 1.770 3.988 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 152 1.427 4.312 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.875 6.317 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.344 6.617 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.841 6.349 -4.026 1.00 0.00 H new ATOM 1365 N TYR A 153 3.728 3.404 -6.141 1.00 0.00 N ATOM 1366 CA TYR A 153 4.960 2.643 -6.314 1.00 0.00 C ATOM 1367 C TYR A 153 6.180 3.501 -5.994 1.00 0.00 C ATOM 1368 O TYR A 153 6.613 4.315 -6.810 1.00 0.00 O ATOM 1369 CB TYR A 153 5.058 2.112 -7.745 1.00 0.00 C ATOM 1370 CG TYR A 153 4.386 0.772 -7.941 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.915 -0.382 -7.376 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.221 0.660 -8.690 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.305 -1.609 -7.553 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.603 -0.563 -8.871 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.149 -1.694 -8.301 1.00 0.00 C ATOM 1376 OH TYR A 153 2.537 -2.914 -8.478 1.00 0.00 O ATOM 0 H TYR A 153 3.232 3.607 -7.009 1.00 0.00 H new ATOM 0 HA TYR A 153 4.938 1.802 -5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.609 2.837 -8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.109 2.026 -8.020 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.819 -0.319 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.791 1.544 -9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.731 -2.496 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.698 -0.633 -9.456 1.00 0.00 H new ATOM 0 HH TYR A 153 1.734 -2.800 -9.028 1.00 0.00 H new ATOM 1386 N ILE A 154 6.731 3.312 -4.799 1.00 0.00 N ATOM 1387 CA ILE A 154 7.902 4.066 -4.370 1.00 0.00 C ATOM 1388 C ILE A 154 9.019 3.982 -5.404 1.00 0.00 C ATOM 1389 O ILE A 154 9.292 2.925 -5.976 1.00 0.00 O ATOM 1390 CB ILE A 154 8.432 3.561 -3.016 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.349 3.682 -1.942 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.676 4.337 -2.610 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.782 3.170 -0.586 1.00 0.00 C ATOM 0 H ILE A 154 6.385 2.643 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 154 7.587 5.104 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 154 8.701 2.510 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.056 4.728 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.466 3.130 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.038 3.968 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.450 4.204 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.432 5.396 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.964 3.287 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.048 2.116 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.646 3.738 -0.242 1.00 0.00 H new