USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 LYS NZ :NH3+ -157:sc= 0.4 (180deg=-0.988) USER MOD Set 1.2: A 153 TYR OH : rot 180:sc= 0.387 USER MOD Set 2.1: A 84 GLN : amide:sc= 0 X(o=-3.2,f=-3.2) USER MOD Set 2.2: A 123 ASN : amide:sc= -3.21 K(o=-3.2,f=-5.1!) 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 82:sc= 0.149 USER MOD Single : A 87 ASN : amide:sc= -0.92 X(o=-0.92,f=-1) USER MOD Single : A 91 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.0026) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.105 K(o=-0.11,f=-2.5!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 37:sc= 0.75 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.15) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot -45:sc= 0.743 USER MOD Single : A 117 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 119 THR OG1 : rot -140:sc= 0 USER MOD Single : A 126 TYR OH : rot -2:sc= 1.2 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= -2.47! C(o=-2.5!,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.7!) USER MOD Single : A 143 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.71) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) 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 9.327 -1.495 -3.322 1.00 0.00 N ATOM 238 CA LYS A 82 8.792 -0.849 -2.130 1.00 0.00 C ATOM 239 C LYS A 82 7.512 -0.084 -2.454 1.00 0.00 C ATOM 240 O LYS A 82 7.385 0.507 -3.527 1.00 0.00 O ATOM 241 CB LYS A 82 9.829 0.103 -1.531 1.00 0.00 C ATOM 242 CG LYS A 82 9.654 0.334 -0.040 1.00 0.00 C ATOM 243 CD LYS A 82 10.816 1.121 0.543 1.00 0.00 C ATOM 244 CE LYS A 82 10.910 0.942 2.051 1.00 0.00 C ATOM 245 NZ LYS A 82 11.614 -0.318 2.417 1.00 0.00 N ATOM 0 HA LYS A 82 8.557 -1.625 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.826 -0.298 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.771 1.061 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.723 0.872 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.571 -0.626 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.747 0.796 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.695 2.178 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.437 1.792 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.908 0.936 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.657 -0.403 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.098 -1.131 2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.579 -0.301 2.030 1.00 0.00 H new ATOM 259 N LEU A 83 6.567 -0.098 -1.521 1.00 0.00 N ATOM 260 CA LEU A 83 5.298 0.596 -1.707 1.00 0.00 C ATOM 261 C LEU A 83 4.987 1.493 -0.513 1.00 0.00 C ATOM 262 O LEU A 83 5.214 1.113 0.636 1.00 0.00 O ATOM 263 CB LEU A 83 4.167 -0.414 -1.908 1.00 0.00 C ATOM 264 CG LEU A 83 4.130 -1.119 -3.264 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.312 -2.398 -3.179 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.567 -0.193 -4.332 1.00 0.00 C ATOM 0 H LEU A 83 6.656 -0.582 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 83 5.381 1.222 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.241 -1.172 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.217 0.101 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 83 5.150 -1.383 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.297 -2.886 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.759 -3.068 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.292 -2.158 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.548 -0.712 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.554 0.103 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.195 0.694 -4.412 1.00 0.00 H new ATOM 278 N GLN A 84 4.466 2.683 -0.793 1.00 0.00 N ATOM 279 CA GLN A 84 4.122 3.633 0.259 1.00 0.00 C ATOM 280 C GLN A 84 2.611 3.727 0.436 1.00 0.00 C ATOM 281 O GLN A 84 1.864 3.785 -0.542 1.00 0.00 O ATOM 282 CB GLN A 84 4.697 5.013 -0.064 1.00 0.00 C ATOM 283 CG GLN A 84 4.286 6.090 0.927 1.00 0.00 C ATOM 284 CD GLN A 84 5.308 7.205 1.034 1.00 0.00 C ATOM 285 OE1 GLN A 84 5.173 8.250 0.397 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.339 6.988 1.843 1.00 0.00 N ATOM 0 H GLN A 84 4.273 3.012 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 84 4.556 3.275 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.785 4.948 -0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.374 5.307 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.326 6.510 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.142 5.639 1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.411 6.107 2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.058 7.702 1.955 1.00 0.00 H new ATOM 295 N ILE A 85 2.166 3.740 1.688 1.00 0.00 N ATOM 296 CA ILE A 85 0.743 3.828 1.992 1.00 0.00 C ATOM 297 C ILE A 85 0.447 5.019 2.897 1.00 0.00 C ATOM 298 O ILE A 85 1.105 5.214 3.918 1.00 0.00 O ATOM 299 CB ILE A 85 0.232 2.542 2.670 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.472 1.332 1.764 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.245 2.673 3.008 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.063 0.018 2.391 1.00 0.00 C ATOM 0 H ILE A 85 2.770 3.691 2.508 1.00 0.00 H new ATOM 0 HA ILE A 85 0.224 3.959 1.042 1.00 0.00 H new ATOM 0 HB ILE A 85 0.785 2.393 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.080 1.469 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.529 1.287 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.591 1.757 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.390 3.514 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.814 2.842 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.261 -0.795 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.633 -0.142 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.001 0.043 2.626 1.00 0.00 H new ATOM 314 N ARG A 86 -0.550 5.811 2.515 1.00 0.00 N ATOM 315 CA ARG A 86 -0.935 6.983 3.293 1.00 0.00 C ATOM 316 C ARG A 86 -2.446 7.028 3.497 1.00 0.00 C ATOM 317 O ARG A 86 -3.166 6.121 3.079 1.00 0.00 O ATOM 318 CB ARG A 86 -0.465 8.261 2.595 1.00 0.00 C ATOM 319 CG ARG A 86 1.045 8.357 2.452 1.00 0.00 C ATOM 320 CD ARG A 86 1.438 9.204 1.252 1.00 0.00 C ATOM 321 NE ARG A 86 1.174 8.519 -0.011 1.00 0.00 N ATOM 322 CZ ARG A 86 1.722 8.874 -1.168 1.00 0.00 C ATOM 323 NH1 ARG A 86 2.560 9.900 -1.221 1.00 0.00 N ATOM 324 NH2 ARG A 86 1.433 8.201 -2.275 1.00 0.00 N ATOM 0 H ARG A 86 -1.105 5.663 1.672 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.456 6.913 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.919 8.312 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.824 9.124 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.471 8.788 3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.466 7.357 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.888 10.145 1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.497 9.453 1.315 1.00 0.00 H new ATOM 0 HE ARG A 86 0.534 7.725 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.785 10.419 -0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.979 10.171 -2.111 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.790 7.410 -2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.854 8.474 -3.163 1.00 0.00 H new ATOM 338 N ASN A 87 -2.920 8.089 4.142 1.00 0.00 N ATOM 339 CA ASN A 87 -4.346 8.251 4.402 1.00 0.00 C ATOM 340 C ASN A 87 -4.859 7.149 5.324 1.00 0.00 C ATOM 341 O ASN A 87 -6.021 6.750 5.243 1.00 0.00 O ATOM 342 CB ASN A 87 -5.130 8.239 3.088 1.00 0.00 C ATOM 343 CG ASN A 87 -5.307 9.629 2.508 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.379 10.438 2.512 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.504 9.912 2.006 1.00 0.00 N ATOM 0 H ASN A 87 -2.338 8.849 4.494 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.493 9.211 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.612 7.610 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.109 7.791 3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.683 10.831 1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.244 9.210 2.024 1.00 0.00 H new ATOM 352 N ILE A 88 -3.986 6.663 6.200 1.00 0.00 N ATOM 353 CA ILE A 88 -4.352 5.609 7.138 1.00 0.00 C ATOM 354 C ILE A 88 -4.986 6.190 8.397 1.00 0.00 C ATOM 355 O ILE A 88 -4.477 7.135 8.999 1.00 0.00 O ATOM 356 CB ILE A 88 -3.129 4.762 7.536 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.571 4.027 6.316 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.504 3.773 8.630 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.223 3.386 6.562 1.00 0.00 C ATOM 0 H ILE A 88 -3.021 6.982 6.280 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.076 4.971 6.631 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.356 5.426 7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.280 3.258 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.485 4.729 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.630 3.181 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.860 4.316 9.505 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.292 3.112 8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.888 2.883 5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.500 4.154 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.308 2.659 7.370 1.00 0.00 H new ATOM 371 N PRO A 89 -6.125 5.611 8.807 1.00 0.00 N ATOM 372 CA PRO A 89 -6.853 6.053 10.000 1.00 0.00 C ATOM 373 C PRO A 89 -6.107 5.725 11.289 1.00 0.00 C ATOM 374 O PRO A 89 -5.775 4.572 11.566 1.00 0.00 O ATOM 375 CB PRO A 89 -8.164 5.268 9.926 1.00 0.00 C ATOM 376 CG PRO A 89 -7.834 4.053 9.130 1.00 0.00 C ATOM 377 CD PRO A 89 -6.789 4.480 8.137 1.00 0.00 C ATOM 0 HA PRO A 89 -6.988 7.134 10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.524 5.004 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.949 5.853 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.460 3.256 9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.718 3.666 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.088 3.674 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.234 4.780 7.188 1.00 0.00 H new ATOM 385 N PRO A 90 -5.836 6.760 12.097 1.00 0.00 N ATOM 386 CA PRO A 90 -5.127 6.606 13.371 1.00 0.00 C ATOM 387 C PRO A 90 -5.967 5.882 14.418 1.00 0.00 C ATOM 388 O PRO A 90 -5.535 5.698 15.556 1.00 0.00 O ATOM 389 CB PRO A 90 -4.860 8.049 13.805 1.00 0.00 C ATOM 390 CG PRO A 90 -5.926 8.849 13.139 1.00 0.00 C ATOM 391 CD PRO A 90 -6.202 8.162 11.830 1.00 0.00 C ATOM 0 HA PRO A 90 -4.224 6.004 13.265 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.907 8.151 14.889 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.868 8.378 13.497 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.824 8.891 13.755 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.600 9.877 12.979 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.248 8.256 11.540 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.607 8.585 11.021 1.00 0.00 H new ATOM 399 N HIS A 91 -7.169 5.472 14.025 1.00 0.00 N ATOM 400 CA HIS A 91 -8.069 4.766 14.930 1.00 0.00 C ATOM 401 C HIS A 91 -7.844 3.259 14.855 1.00 0.00 C ATOM 402 O HIS A 91 -7.782 2.578 15.879 1.00 0.00 O ATOM 403 CB HIS A 91 -9.524 5.093 14.594 1.00 0.00 C ATOM 404 CG HIS A 91 -9.748 6.530 14.236 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.639 6.934 13.264 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.191 7.662 14.728 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.619 8.252 13.172 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.749 8.718 14.050 1.00 0.00 N ATOM 0 H HIS A 91 -7.542 5.616 13.087 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.855 5.097 15.946 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.846 4.466 13.763 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.152 4.838 15.448 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.447 7.723 15.508 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.213 8.847 12.494 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.528 9.702 14.200 1.00 0.00 H new ATOM 416 N LEU A 92 -7.722 2.744 13.636 1.00 0.00 N ATOM 417 CA LEU A 92 -7.504 1.317 13.427 1.00 0.00 C ATOM 418 C LEU A 92 -6.271 0.837 14.186 1.00 0.00 C ATOM 419 O LEU A 92 -5.347 1.610 14.439 1.00 0.00 O ATOM 420 CB LEU A 92 -7.346 1.019 11.935 1.00 0.00 C ATOM 421 CG LEU A 92 -6.575 -0.254 11.583 1.00 0.00 C ATOM 422 CD1 LEU A 92 -7.085 -0.843 10.277 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.083 0.034 11.493 1.00 0.00 C ATOM 0 H LEU A 92 -7.770 3.293 12.778 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.374 0.782 13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.339 0.953 11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.843 1.865 11.467 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.737 -0.985 12.375 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.525 -1.748 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.143 -1.087 10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.954 -0.117 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.550 -0.883 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.903 0.782 10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.726 0.410 12.452 1.00 0.00 H new ATOM 435 N GLN A 93 -6.264 -0.442 14.544 1.00 0.00 N ATOM 436 CA GLN A 93 -5.143 -1.025 15.273 1.00 0.00 C ATOM 437 C GLN A 93 -4.123 -1.626 14.312 1.00 0.00 C ATOM 438 O GLN A 93 -4.470 -2.426 13.444 1.00 0.00 O ATOM 439 CB GLN A 93 -5.641 -2.097 16.244 1.00 0.00 C ATOM 440 CG GLN A 93 -6.539 -1.553 17.343 1.00 0.00 C ATOM 441 CD GLN A 93 -7.511 -2.591 17.870 1.00 0.00 C ATOM 442 OE1 GLN A 93 -8.566 -2.826 17.281 1.00 0.00 O ATOM 443 NE2 GLN A 93 -7.159 -3.219 18.986 1.00 0.00 N ATOM 0 H GLN A 93 -7.021 -1.095 14.342 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.657 -0.230 15.839 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.186 -2.857 15.684 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.782 -2.590 16.699 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.922 -1.189 18.164 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.098 -0.699 16.961 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.275 -2.993 19.441 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.773 -3.928 19.388 1.00 0.00 H new ATOM 452 N TRP A 94 -2.864 -1.235 14.475 1.00 0.00 N ATOM 453 CA TRP A 94 -1.792 -1.736 13.621 1.00 0.00 C ATOM 454 C TRP A 94 -1.974 -3.223 13.335 1.00 0.00 C ATOM 455 O TRP A 94 -1.875 -3.659 12.189 1.00 0.00 O ATOM 456 CB TRP A 94 -0.433 -1.492 14.278 1.00 0.00 C ATOM 457 CG TRP A 94 0.725 -1.778 13.371 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.289 -2.997 13.121 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.462 -0.827 12.595 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.332 -2.860 12.236 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.457 -1.539 11.898 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.376 0.557 12.420 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.359 -0.912 11.042 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.272 1.178 11.570 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.252 0.444 10.889 1.00 0.00 C ATOM 0 H TRP A 94 -2.560 -0.574 15.190 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.832 -1.196 12.675 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.378 -0.455 14.609 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.351 -2.116 15.168 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.963 -3.931 13.555 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.918 -3.619 11.888 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.623 1.131 12.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.116 -1.476 10.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.216 2.247 11.428 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.936 0.958 10.230 1.00 0.00 H new ATOM 476 N GLU A 95 -2.239 -3.995 14.384 1.00 0.00 N ATOM 477 CA GLU A 95 -2.433 -5.433 14.244 1.00 0.00 C ATOM 478 C GLU A 95 -3.291 -5.749 13.022 1.00 0.00 C ATOM 479 O GLU A 95 -2.910 -6.556 12.174 1.00 0.00 O ATOM 480 CB GLU A 95 -3.086 -6.007 15.502 1.00 0.00 C ATOM 481 CG GLU A 95 -4.529 -5.570 15.693 1.00 0.00 C ATOM 482 CD GLU A 95 -5.072 -5.929 17.062 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.299 -5.872 18.041 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.271 -6.267 17.155 1.00 0.00 O ATOM 0 H GLU A 95 -2.324 -3.649 15.340 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.455 -5.895 14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.048 -7.095 15.456 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.505 -5.704 16.373 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.600 -4.492 15.550 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.150 -6.035 14.927 1.00 0.00 H new ATOM 491 N VAL A 96 -4.452 -5.108 12.940 1.00 0.00 N ATOM 492 CA VAL A 96 -5.365 -5.320 11.823 1.00 0.00 C ATOM 493 C VAL A 96 -4.699 -4.974 10.496 1.00 0.00 C ATOM 494 O VAL A 96 -4.936 -5.630 9.480 1.00 0.00 O ATOM 495 CB VAL A 96 -6.645 -4.477 11.977 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.559 -4.671 10.776 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.365 -4.834 13.269 1.00 0.00 C ATOM 0 H VAL A 96 -4.783 -4.437 13.634 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.632 -6.377 11.828 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.364 -3.425 12.023 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.458 -4.068 10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.039 -4.362 9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.835 -5.722 10.695 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.267 -4.229 13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.636 -5.890 13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.709 -4.639 14.117 1.00 0.00 H new ATOM 507 N LEU A 97 -3.864 -3.941 10.510 1.00 0.00 N ATOM 508 CA LEU A 97 -3.162 -3.507 9.308 1.00 0.00 C ATOM 509 C LEU A 97 -2.237 -4.605 8.792 1.00 0.00 C ATOM 510 O LEU A 97 -2.411 -5.107 7.681 1.00 0.00 O ATOM 511 CB LEU A 97 -2.357 -2.238 9.593 1.00 0.00 C ATOM 512 CG LEU A 97 -1.670 -1.594 8.388 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.703 -1.051 7.412 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.728 -0.488 8.839 1.00 0.00 C ATOM 0 H LEU A 97 -3.657 -3.388 11.342 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.905 -3.293 8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.024 -1.502 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.596 -2.474 10.337 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.083 -2.358 7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.196 -0.596 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.338 -1.866 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.317 -0.301 7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.248 -0.041 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.293 0.276 9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.033 -0.905 9.499 1.00 0.00 H new ATOM 526 N ASP A 98 -1.255 -4.974 9.606 1.00 0.00 N ATOM 527 CA ASP A 98 -0.303 -6.015 9.234 1.00 0.00 C ATOM 528 C ASP A 98 -0.985 -7.106 8.413 1.00 0.00 C ATOM 529 O ASP A 98 -0.604 -7.366 7.271 1.00 0.00 O ATOM 530 CB ASP A 98 0.334 -6.624 10.484 1.00 0.00 C ATOM 531 CG ASP A 98 1.736 -7.141 10.226 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.670 -6.315 10.167 1.00 0.00 O ATOM 533 OD2 ASP A 98 1.898 -8.371 10.083 1.00 0.00 O ATOM 0 H ASP A 98 -1.097 -4.568 10.528 1.00 0.00 H new ATOM 0 HA ASP A 98 0.477 -5.559 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.366 -5.874 11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.291 -7.441 10.845 1.00 0.00 H new ATOM 538 N SER A 99 -1.993 -7.740 9.002 1.00 0.00 N ATOM 539 CA SER A 99 -2.724 -8.806 8.327 1.00 0.00 C ATOM 540 C SER A 99 -3.214 -8.346 6.957 1.00 0.00 C ATOM 541 O SER A 99 -2.950 -8.991 5.941 1.00 0.00 O ATOM 542 CB SER A 99 -3.912 -9.258 9.180 1.00 0.00 C ATOM 543 OG SER A 99 -3.486 -9.677 10.465 1.00 0.00 O ATOM 0 H SER A 99 -2.322 -7.534 9.945 1.00 0.00 H new ATOM 0 HA SER A 99 -2.044 -9.647 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.625 -8.440 9.279 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.432 -10.076 8.681 1.00 0.00 H new ATOM 0 HG SER A 99 -4.263 -9.959 10.991 1.00 0.00 H new ATOM 549 N LEU A 100 -3.928 -7.226 6.937 1.00 0.00 N ATOM 550 CA LEU A 100 -4.455 -6.677 5.692 1.00 0.00 C ATOM 551 C LEU A 100 -3.390 -6.683 4.600 1.00 0.00 C ATOM 552 O LEU A 100 -3.663 -7.039 3.453 1.00 0.00 O ATOM 553 CB LEU A 100 -4.966 -5.253 5.915 1.00 0.00 C ATOM 554 CG LEU A 100 -6.345 -5.128 6.564 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.590 -3.700 7.026 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.432 -5.571 5.596 1.00 0.00 C ATOM 0 H LEU A 100 -4.155 -6.680 7.768 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.284 -7.307 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.245 -4.723 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.992 -4.743 4.952 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.375 -5.781 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.576 -3.630 7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.830 -3.418 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.540 -3.027 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.407 -5.475 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.403 -4.945 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.267 -6.611 5.314 1.00 0.00 H new ATOM 568 N LEU A 101 -2.175 -6.288 4.964 1.00 0.00 N ATOM 569 CA LEU A 101 -1.067 -6.250 4.016 1.00 0.00 C ATOM 570 C LEU A 101 -0.685 -7.656 3.567 1.00 0.00 C ATOM 571 O LEU A 101 -0.298 -7.869 2.418 1.00 0.00 O ATOM 572 CB LEU A 101 0.143 -5.557 4.645 1.00 0.00 C ATOM 573 CG LEU A 101 -0.151 -4.291 5.450 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.101 -3.810 6.166 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.703 -3.199 4.545 1.00 0.00 C ATOM 0 H LEU A 101 -1.932 -5.990 5.909 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.389 -5.685 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.646 -6.270 5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.845 -5.303 3.850 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.905 -4.529 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.872 -2.908 6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.453 -4.587 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.877 -3.590 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.906 -2.306 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.028 -2.964 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.626 -3.544 4.080 1.00 0.00 H new ATOM 587 N VAL A 102 -0.799 -8.615 4.481 1.00 0.00 N ATOM 588 CA VAL A 102 -0.469 -10.003 4.178 1.00 0.00 C ATOM 589 C VAL A 102 -1.511 -10.627 3.256 1.00 0.00 C ATOM 590 O VAL A 102 -1.171 -11.215 2.230 1.00 0.00 O ATOM 591 CB VAL A 102 -0.364 -10.848 5.462 1.00 0.00 C ATOM 592 CG1 VAL A 102 0.042 -12.275 5.130 1.00 0.00 C ATOM 593 CG2 VAL A 102 0.621 -10.217 6.435 1.00 0.00 C ATOM 0 H VAL A 102 -1.117 -8.456 5.437 1.00 0.00 H new ATOM 0 HA VAL A 102 0.499 -9.996 3.676 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.344 -10.876 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.111 -12.857 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.704 -12.722 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.010 -12.271 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.683 -10.827 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.605 -10.157 5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.282 -9.215 6.697 1.00 0.00 H new ATOM 603 N GLN A 103 -2.779 -10.494 3.630 1.00 0.00 N ATOM 604 CA GLN A 103 -3.871 -11.045 2.836 1.00 0.00 C ATOM 605 C GLN A 103 -3.566 -10.941 1.345 1.00 0.00 C ATOM 606 O GLN A 103 -3.725 -11.908 0.600 1.00 0.00 O ATOM 607 CB GLN A 103 -5.178 -10.318 3.153 1.00 0.00 C ATOM 608 CG GLN A 103 -5.843 -10.792 4.435 1.00 0.00 C ATOM 609 CD GLN A 103 -6.654 -12.058 4.239 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.137 -13.074 3.773 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.932 -12.004 4.594 1.00 0.00 N ATOM 0 H GLN A 103 -3.076 -10.010 4.477 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.978 -12.099 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.980 -9.249 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.871 -10.455 2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.079 -10.968 5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.493 -10.004 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.319 -11.141 4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.527 -12.825 4.485 1.00 0.00 H new ATOM 620 N TYR A 104 -3.128 -9.762 0.917 1.00 0.00 N ATOM 621 CA TYR A 104 -2.803 -9.531 -0.485 1.00 0.00 C ATOM 622 C TYR A 104 -1.700 -10.475 -0.952 1.00 0.00 C ATOM 623 O TYR A 104 -1.857 -11.194 -1.938 1.00 0.00 O ATOM 624 CB TYR A 104 -2.372 -8.079 -0.698 1.00 0.00 C ATOM 625 CG TYR A 104 -3.464 -7.074 -0.409 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.475 -6.833 -1.331 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.485 -6.366 0.786 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.474 -5.915 -1.072 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.481 -5.447 1.055 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.473 -5.225 0.123 1.00 0.00 C ATOM 631 OH TYR A 104 -6.467 -4.311 0.385 1.00 0.00 O ATOM 0 H TYR A 104 -2.990 -8.952 1.521 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.698 -9.728 -1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.515 -7.866 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.039 -7.955 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.480 -7.373 -2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.709 -6.537 1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.251 -5.738 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.483 -4.906 1.990 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.321 -3.913 1.269 1.00 0.00 H new ATOM 641 N GLY A 105 -0.580 -10.467 -0.235 1.00 0.00 N ATOM 642 CA GLY A 105 0.534 -11.326 -0.589 1.00 0.00 C ATOM 643 C GLY A 105 1.518 -11.501 0.551 1.00 0.00 C ATOM 644 O GLY A 105 1.169 -11.307 1.716 1.00 0.00 O ATOM 0 H GLY A 105 -0.425 -9.880 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.154 -12.302 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.053 -10.906 -1.451 1.00 0.00 H new ATOM 648 N VAL A 106 2.750 -11.869 0.217 1.00 0.00 N ATOM 649 CA VAL A 106 3.787 -12.070 1.221 1.00 0.00 C ATOM 650 C VAL A 106 4.559 -10.781 1.480 1.00 0.00 C ATOM 651 O VAL A 106 5.493 -10.447 0.751 1.00 0.00 O ATOM 652 CB VAL A 106 4.776 -13.171 0.795 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.887 -13.320 1.824 1.00 0.00 C ATOM 654 CG2 VAL A 106 4.048 -14.491 0.589 1.00 0.00 C ATOM 0 H VAL A 106 3.055 -12.034 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 106 3.284 -12.379 2.137 1.00 0.00 H new ATOM 0 HB VAL A 106 5.229 -12.880 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.576 -14.103 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.426 -12.377 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.456 -13.587 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.762 -15.257 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.566 -14.790 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.294 -14.373 -0.189 1.00 0.00 H new ATOM 664 N VAL A 107 4.163 -10.061 2.525 1.00 0.00 N ATOM 665 CA VAL A 107 4.819 -8.809 2.883 1.00 0.00 C ATOM 666 C VAL A 107 6.174 -9.064 3.534 1.00 0.00 C ATOM 667 O VAL A 107 6.263 -9.259 4.745 1.00 0.00 O ATOM 668 CB VAL A 107 3.950 -7.974 3.842 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.428 -8.839 4.979 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.738 -6.789 4.380 1.00 0.00 C ATOM 0 H VAL A 107 3.391 -10.323 3.138 1.00 0.00 H new ATOM 0 HA VAL A 107 4.963 -8.252 1.957 1.00 0.00 H new ATOM 0 HB VAL A 107 3.094 -7.589 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.816 -8.232 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.825 -9.651 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.268 -9.255 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.109 -6.210 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.614 -7.149 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.057 -6.157 3.551 1.00 0.00 H new ATOM 680 N GLU A 108 7.225 -9.059 2.720 1.00 0.00 N ATOM 681 CA GLU A 108 8.576 -9.290 3.218 1.00 0.00 C ATOM 682 C GLU A 108 8.796 -8.574 4.547 1.00 0.00 C ATOM 683 O GLU A 108 9.241 -9.177 5.524 1.00 0.00 O ATOM 684 CB GLU A 108 9.609 -8.817 2.194 1.00 0.00 C ATOM 685 CG GLU A 108 10.899 -9.620 2.214 1.00 0.00 C ATOM 686 CD GLU A 108 11.428 -9.838 3.619 1.00 0.00 C ATOM 687 OE1 GLU A 108 10.924 -10.751 4.306 1.00 0.00 O ATOM 688 OE2 GLU A 108 12.344 -9.096 4.030 1.00 0.00 O ATOM 0 H GLU A 108 7.167 -8.898 1.714 1.00 0.00 H new ATOM 0 HA GLU A 108 8.698 -10.361 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.172 -8.873 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.841 -7.769 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.729 -10.587 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.654 -9.103 1.622 1.00 0.00 H new ATOM 695 N SER A 109 8.482 -7.282 4.575 1.00 0.00 N ATOM 696 CA SER A 109 8.650 -6.481 5.782 1.00 0.00 C ATOM 697 C SER A 109 7.857 -5.181 5.686 1.00 0.00 C ATOM 698 O SER A 109 7.729 -4.598 4.609 1.00 0.00 O ATOM 699 CB SER A 109 10.130 -6.173 6.014 1.00 0.00 C ATOM 700 OG SER A 109 10.738 -7.168 6.820 1.00 0.00 O ATOM 0 H SER A 109 8.110 -6.768 3.776 1.00 0.00 H new ATOM 0 HA SER A 109 8.270 -7.057 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.646 -6.111 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.231 -5.200 6.494 1.00 0.00 H new ATOM 0 HG SER A 109 10.371 -8.046 6.588 1.00 0.00 H new ATOM 706 N CYS A 110 7.328 -4.733 6.819 1.00 0.00 N ATOM 707 CA CYS A 110 6.546 -3.502 6.863 1.00 0.00 C ATOM 708 C CYS A 110 7.311 -2.399 7.587 1.00 0.00 C ATOM 709 O CYS A 110 7.329 -2.347 8.816 1.00 0.00 O ATOM 710 CB CYS A 110 5.206 -3.750 7.557 1.00 0.00 C ATOM 711 SG CYS A 110 4.141 -2.291 7.646 1.00 0.00 S ATOM 0 H CYS A 110 7.426 -5.203 7.719 1.00 0.00 H new ATOM 0 HA CYS A 110 6.362 -3.180 5.838 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.676 -4.542 7.028 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.394 -4.112 8.568 1.00 0.00 H new ATOM 0 HG CYS A 110 3.031 -2.600 8.248 1.00 0.00 H new ATOM 717 N GLU A 111 7.942 -1.520 6.815 1.00 0.00 N ATOM 718 CA GLU A 111 8.711 -0.419 7.384 1.00 0.00 C ATOM 719 C GLU A 111 7.821 0.798 7.627 1.00 0.00 C ATOM 720 O GLU A 111 7.109 1.247 6.729 1.00 0.00 O ATOM 721 CB GLU A 111 9.867 -0.041 6.456 1.00 0.00 C ATOM 722 CG GLU A 111 10.901 0.862 7.107 1.00 0.00 C ATOM 723 CD GLU A 111 11.964 0.085 7.858 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.720 -0.667 7.207 1.00 0.00 O ATOM 725 OE2 GLU A 111 12.041 0.228 9.096 1.00 0.00 O ATOM 0 H GLU A 111 7.936 -1.549 5.795 1.00 0.00 H new ATOM 0 HA GLU A 111 9.116 -0.749 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.358 -0.951 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.465 0.458 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.377 1.474 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.401 1.544 7.795 1.00 0.00 H new ATOM 732 N GLN A 112 7.869 1.324 8.846 1.00 0.00 N ATOM 733 CA GLN A 112 7.066 2.486 9.207 1.00 0.00 C ATOM 734 C GLN A 112 7.651 3.760 8.605 1.00 0.00 C ATOM 735 O GLN A 112 8.843 3.827 8.307 1.00 0.00 O ATOM 736 CB GLN A 112 6.981 2.621 10.729 1.00 0.00 C ATOM 737 CG GLN A 112 5.919 3.604 11.194 1.00 0.00 C ATOM 738 CD GLN A 112 5.387 3.277 12.576 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.129 2.827 13.449 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.095 3.503 12.782 1.00 0.00 N ATOM 0 H GLN A 112 8.455 0.965 9.600 1.00 0.00 H new ATOM 0 HA GLN A 112 6.063 2.342 8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.772 1.642 11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.951 2.939 11.112 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.338 4.610 11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.094 3.605 10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.516 3.877 12.030 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.681 3.303 13.692 1.00 0.00 H new ATOM 749 N VAL A 113 6.803 4.768 8.426 1.00 0.00 N ATOM 750 CA VAL A 113 7.235 6.039 7.859 1.00 0.00 C ATOM 751 C VAL A 113 6.307 7.173 8.282 1.00 0.00 C ATOM 752 O VAL A 113 5.168 6.940 8.682 1.00 0.00 O ATOM 753 CB VAL A 113 7.287 5.979 6.321 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.873 7.264 5.756 1.00 0.00 C ATOM 755 CG2 VAL A 113 8.088 4.771 5.862 1.00 0.00 C ATOM 0 H VAL A 113 5.812 4.728 8.666 1.00 0.00 H new ATOM 0 HA VAL A 113 8.237 6.232 8.241 1.00 0.00 H new ATOM 0 HB VAL A 113 6.269 5.876 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.902 7.203 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.253 8.109 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.884 7.402 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.114 4.744 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.105 4.841 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.620 3.860 6.236 1.00 0.00 H new ATOM 765 N ASN A 114 6.804 8.402 8.189 1.00 0.00 N ATOM 766 CA ASN A 114 6.020 9.574 8.562 1.00 0.00 C ATOM 767 C ASN A 114 6.234 10.711 7.568 1.00 0.00 C ATOM 768 O ASN A 114 7.314 11.300 7.504 1.00 0.00 O ATOM 769 CB ASN A 114 6.394 10.036 9.972 1.00 0.00 C ATOM 770 CG ASN A 114 5.533 9.390 11.040 1.00 0.00 C ATOM 771 OD1 ASN A 114 4.347 9.697 11.166 1.00 0.00 O ATOM 772 ND2 ASN A 114 6.127 8.491 11.816 1.00 0.00 N ATOM 0 H ASN A 114 7.746 8.612 7.859 1.00 0.00 H new ATOM 0 HA ASN A 114 4.966 9.295 8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.441 9.801 10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.294 11.120 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 114 5.598 8.024 12.552 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.112 8.268 11.676 1.00 0.00 H new ATOM 779 N THR A 115 5.198 11.016 6.794 1.00 0.00 N ATOM 780 CA THR A 115 5.272 12.082 5.803 1.00 0.00 C ATOM 781 C THR A 115 4.779 13.405 6.379 1.00 0.00 C ATOM 782 O THR A 115 4.340 14.288 5.643 1.00 0.00 O ATOM 783 CB THR A 115 4.445 11.742 4.549 1.00 0.00 C ATOM 784 OG1 THR A 115 4.706 12.698 3.515 1.00 0.00 O ATOM 785 CG2 THR A 115 2.958 11.727 4.869 1.00 0.00 C ATOM 0 H THR A 115 4.297 10.540 6.834 1.00 0.00 H new ATOM 0 HA THR A 115 6.321 12.179 5.523 1.00 0.00 H new ATOM 0 HB THR A 115 4.737 10.749 4.207 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.686 13.602 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 115 2.394 11.485 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.758 10.977 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.654 12.708 5.234 1.00 0.00 H new ATOM 793 N ASP A 116 4.856 13.534 7.699 1.00 0.00 N ATOM 794 CA ASP A 116 4.419 14.751 8.374 1.00 0.00 C ATOM 795 C ASP A 116 2.940 15.016 8.113 1.00 0.00 C ATOM 796 O ASP A 116 2.543 16.145 7.824 1.00 0.00 O ATOM 797 CB ASP A 116 5.254 15.945 7.911 1.00 0.00 C ATOM 798 CG ASP A 116 5.054 17.167 8.786 1.00 0.00 C ATOM 799 OD1 ASP A 116 5.525 17.151 9.942 1.00 0.00 O ATOM 800 OD2 ASP A 116 4.425 18.137 8.315 1.00 0.00 O ATOM 0 H ASP A 116 5.217 12.812 8.322 1.00 0.00 H new ATOM 0 HA ASP A 116 4.561 14.613 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 116 6.309 15.669 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.991 16.191 6.882 1.00 0.00 H new ATOM 805 N SER A 117 2.129 13.968 8.214 1.00 0.00 N ATOM 806 CA SER A 117 0.694 14.087 7.983 1.00 0.00 C ATOM 807 C SER A 117 -0.095 13.458 9.128 1.00 0.00 C ATOM 808 O SER A 117 0.351 12.491 9.744 1.00 0.00 O ATOM 809 CB SER A 117 0.312 13.421 6.660 1.00 0.00 C ATOM 810 OG SER A 117 0.667 14.238 5.557 1.00 0.00 O ATOM 0 H SER A 117 2.441 13.027 8.454 1.00 0.00 H new ATOM 0 HA SER A 117 0.446 15.147 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.812 12.456 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.761 13.227 6.643 1.00 0.00 H new ATOM 0 HG SER A 117 0.414 13.790 4.723 1.00 0.00 H new ATOM 816 N GLU A 118 -1.269 14.016 9.406 1.00 0.00 N ATOM 817 CA GLU A 118 -2.119 13.510 10.478 1.00 0.00 C ATOM 818 C GLU A 118 -2.269 11.994 10.384 1.00 0.00 C ATOM 819 O GLU A 118 -1.922 11.265 11.314 1.00 0.00 O ATOM 820 CB GLU A 118 -3.496 14.174 10.422 1.00 0.00 C ATOM 821 CG GLU A 118 -3.461 15.672 10.676 1.00 0.00 C ATOM 822 CD GLU A 118 -3.278 16.475 9.403 1.00 0.00 C ATOM 823 OE1 GLU A 118 -4.216 16.505 8.580 1.00 0.00 O ATOM 824 OE2 GLU A 118 -2.196 17.075 9.231 1.00 0.00 O ATOM 0 H GLU A 118 -1.653 14.817 8.905 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.645 13.752 11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.939 13.990 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.147 13.704 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.388 15.976 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.649 15.901 11.366 1.00 0.00 H new ATOM 831 N THR A 119 -2.790 11.526 9.254 1.00 0.00 N ATOM 832 CA THR A 119 -2.988 10.098 9.038 1.00 0.00 C ATOM 833 C THR A 119 -1.682 9.330 9.207 1.00 0.00 C ATOM 834 O THR A 119 -0.599 9.911 9.157 1.00 0.00 O ATOM 835 CB THR A 119 -3.558 9.816 7.635 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.751 10.457 6.640 1.00 0.00 O ATOM 837 CG2 THR A 119 -4.993 10.308 7.525 1.00 0.00 C ATOM 0 H THR A 119 -3.082 12.115 8.474 1.00 0.00 H new ATOM 0 HA THR A 119 -3.704 9.761 9.788 1.00 0.00 H new ATOM 0 HB THR A 119 -3.547 8.738 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.328 10.835 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.374 10.098 6.526 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.610 9.797 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.024 11.382 7.707 1.00 0.00 H new ATOM 845 N ALA A 120 -1.793 8.021 9.407 1.00 0.00 N ATOM 846 CA ALA A 120 -0.621 7.173 9.581 1.00 0.00 C ATOM 847 C ALA A 120 0.017 6.834 8.237 1.00 0.00 C ATOM 848 O ALA A 120 -0.675 6.698 7.228 1.00 0.00 O ATOM 849 CB ALA A 120 -0.996 5.900 10.325 1.00 0.00 C ATOM 0 H ALA A 120 -2.683 7.525 9.453 1.00 0.00 H new ATOM 0 HA ALA A 120 0.110 7.724 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.111 5.276 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.398 6.156 11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.748 5.354 9.756 1.00 0.00 H new ATOM 855 N VAL A 121 1.339 6.701 8.232 1.00 0.00 N ATOM 856 CA VAL A 121 2.070 6.379 7.012 1.00 0.00 C ATOM 857 C VAL A 121 2.984 5.177 7.221 1.00 0.00 C ATOM 858 O VAL A 121 3.665 5.071 8.241 1.00 0.00 O ATOM 859 CB VAL A 121 2.913 7.574 6.530 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.606 7.244 5.217 1.00 0.00 C ATOM 861 CG2 VAL A 121 2.045 8.815 6.386 1.00 0.00 C ATOM 0 H VAL A 121 1.926 6.811 9.059 1.00 0.00 H new ATOM 0 HA VAL A 121 1.327 6.139 6.252 1.00 0.00 H new ATOM 0 HB VAL A 121 3.680 7.779 7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.197 8.100 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.260 6.384 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.858 7.011 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.657 9.650 6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.255 8.624 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.600 9.062 7.350 1.00 0.00 H new ATOM 871 N VAL A 122 2.996 4.273 6.246 1.00 0.00 N ATOM 872 CA VAL A 122 3.828 3.078 6.322 1.00 0.00 C ATOM 873 C VAL A 122 4.245 2.610 4.932 1.00 0.00 C ATOM 874 O VAL A 122 3.691 3.050 3.926 1.00 0.00 O ATOM 875 CB VAL A 122 3.097 1.929 7.041 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.715 2.340 8.455 1.00 0.00 C ATOM 877 CG2 VAL A 122 1.868 1.503 6.251 1.00 0.00 C ATOM 0 H VAL A 122 2.439 4.346 5.395 1.00 0.00 H new ATOM 0 HA VAL A 122 4.716 3.347 6.894 1.00 0.00 H new ATOM 0 HB VAL A 122 3.773 1.077 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.200 1.515 8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.615 2.592 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.057 3.208 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.363 0.690 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.188 2.349 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.172 1.164 5.260 1.00 0.00 H new ATOM 887 N ASN A 123 5.225 1.713 4.885 1.00 0.00 N ATOM 888 CA ASN A 123 5.717 1.185 3.618 1.00 0.00 C ATOM 889 C ASN A 123 5.688 -0.341 3.617 1.00 0.00 C ATOM 890 O ASN A 123 6.268 -0.984 4.493 1.00 0.00 O ATOM 891 CB ASN A 123 7.140 1.679 3.353 1.00 0.00 C ATOM 892 CG ASN A 123 7.173 3.122 2.886 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.130 3.747 2.691 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.374 3.657 2.703 1.00 0.00 N ATOM 0 H ASN A 123 5.694 1.337 5.709 1.00 0.00 H new ATOM 0 HA ASN A 123 5.062 1.544 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.731 1.581 4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.607 1.045 2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.459 4.624 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.212 3.102 2.877 1.00 0.00 H new ATOM 901 N VAL A 124 5.010 -0.914 2.628 1.00 0.00 N ATOM 902 CA VAL A 124 4.908 -2.364 2.512 1.00 0.00 C ATOM 903 C VAL A 124 5.919 -2.908 1.509 1.00 0.00 C ATOM 904 O VAL A 124 6.037 -2.403 0.393 1.00 0.00 O ATOM 905 CB VAL A 124 3.492 -2.794 2.082 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.482 -4.257 1.666 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.496 -2.543 3.203 1.00 0.00 C ATOM 0 H VAL A 124 4.523 -0.397 1.896 1.00 0.00 H new ATOM 0 HA VAL A 124 5.122 -2.776 3.498 1.00 0.00 H new ATOM 0 HB VAL A 124 3.194 -2.194 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.474 -4.543 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.165 -4.402 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.800 -4.876 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.501 -2.852 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.788 -3.115 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.484 -1.481 3.448 1.00 0.00 H new ATOM 917 N THR A 125 6.648 -3.944 1.915 1.00 0.00 N ATOM 918 CA THR A 125 7.650 -4.557 1.052 1.00 0.00 C ATOM 919 C THR A 125 7.332 -6.026 0.798 1.00 0.00 C ATOM 920 O THR A 125 7.652 -6.891 1.614 1.00 0.00 O ATOM 921 CB THR A 125 9.060 -4.447 1.663 1.00 0.00 C ATOM 922 OG1 THR A 125 9.200 -3.197 2.349 1.00 0.00 O ATOM 923 CG2 THR A 125 10.127 -4.563 0.586 1.00 0.00 C ATOM 0 H THR A 125 6.563 -4.375 2.835 1.00 0.00 H new ATOM 0 HA THR A 125 7.628 -4.015 0.107 1.00 0.00 H new ATOM 0 HB THR A 125 9.191 -5.266 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.804 -3.268 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.114 -4.482 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.036 -5.527 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.997 -3.763 -0.143 1.00 0.00 H new ATOM 931 N TYR A 126 6.702 -6.302 -0.338 1.00 0.00 N ATOM 932 CA TYR A 126 6.339 -7.667 -0.698 1.00 0.00 C ATOM 933 C TYR A 126 7.515 -8.391 -1.346 1.00 0.00 C ATOM 934 O TYR A 126 8.483 -7.763 -1.777 1.00 0.00 O ATOM 935 CB TYR A 126 5.141 -7.665 -1.649 1.00 0.00 C ATOM 936 CG TYR A 126 3.848 -7.236 -0.994 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.212 -8.053 -0.066 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.262 -6.014 -1.301 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.030 -7.665 0.535 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.081 -5.618 -0.703 1.00 0.00 C ATOM 941 CZ TYR A 126 1.469 -6.447 0.213 1.00 0.00 C ATOM 942 OH TYR A 126 0.292 -6.057 0.811 1.00 0.00 O ATOM 0 H TYR A 126 6.432 -5.598 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 126 6.068 -8.196 0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.353 -6.999 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.014 -8.666 -2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.649 -9.007 0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.738 -5.363 -2.019 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.548 -8.312 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.640 -4.664 -0.952 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.022 -6.767 1.409 1.00 0.00 H new ATOM 952 N SER A 127 7.424 -9.715 -1.412 1.00 0.00 N ATOM 953 CA SER A 127 8.481 -10.526 -2.004 1.00 0.00 C ATOM 954 C SER A 127 8.263 -10.691 -3.505 1.00 0.00 C ATOM 955 O SER A 127 9.204 -10.605 -4.294 1.00 0.00 O ATOM 956 CB SER A 127 8.538 -11.898 -1.331 1.00 0.00 C ATOM 957 OG SER A 127 9.811 -12.498 -1.501 1.00 0.00 O ATOM 0 H SER A 127 6.629 -10.249 -1.063 1.00 0.00 H new ATOM 0 HA SER A 127 9.430 -10.013 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.321 -11.794 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.769 -12.545 -1.752 1.00 0.00 H new ATOM 0 HG SER A 127 9.822 -13.373 -1.060 1.00 0.00 H new ATOM 963 N SER A 128 7.014 -10.930 -3.892 1.00 0.00 N ATOM 964 CA SER A 128 6.671 -11.111 -5.298 1.00 0.00 C ATOM 965 C SER A 128 6.119 -9.820 -5.894 1.00 0.00 C ATOM 966 O SER A 128 5.736 -8.901 -5.169 1.00 0.00 O ATOM 967 CB SER A 128 5.646 -12.236 -5.453 1.00 0.00 C ATOM 968 OG SER A 128 6.286 -13.489 -5.625 1.00 0.00 O ATOM 0 H SER A 128 6.223 -11.003 -3.252 1.00 0.00 H new ATOM 0 HA SER A 128 7.580 -11.379 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.003 -12.270 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.004 -12.032 -6.310 1.00 0.00 H new ATOM 0 HG SER A 128 5.609 -14.192 -5.720 1.00 0.00 H new ATOM 974 N LYS A 129 6.082 -9.756 -7.220 1.00 0.00 N ATOM 975 CA LYS A 129 5.577 -8.579 -7.917 1.00 0.00 C ATOM 976 C LYS A 129 4.056 -8.508 -7.832 1.00 0.00 C ATOM 977 O LYS A 129 3.501 -7.604 -7.206 1.00 0.00 O ATOM 978 CB LYS A 129 6.016 -8.600 -9.383 1.00 0.00 C ATOM 979 CG LYS A 129 5.885 -7.256 -10.077 1.00 0.00 C ATOM 980 CD LYS A 129 4.509 -7.081 -10.697 1.00 0.00 C ATOM 981 CE LYS A 129 4.130 -5.612 -10.808 1.00 0.00 C ATOM 982 NZ LYS A 129 3.779 -5.028 -9.484 1.00 0.00 N ATOM 0 H LYS A 129 6.396 -10.507 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 129 5.993 -7.695 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.054 -8.928 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.420 -9.337 -9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.066 -6.456 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 129 6.648 -7.169 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.494 -7.537 -11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.768 -7.604 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 129 4.960 -5.055 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 129 3.284 -5.505 -11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.174 -4.193 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.269 -5.735 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.648 -4.747 -8.987 1.00 0.00 H new ATOM 996 N ASP A 130 3.387 -9.466 -8.464 1.00 0.00 N ATOM 997 CA ASP A 130 1.930 -9.513 -8.457 1.00 0.00 C ATOM 998 C ASP A 130 1.382 -9.190 -7.071 1.00 0.00 C ATOM 999 O ASP A 130 0.530 -8.315 -6.919 1.00 0.00 O ATOM 1000 CB ASP A 130 1.441 -10.892 -8.904 1.00 0.00 C ATOM 1001 CG ASP A 130 1.427 -11.041 -10.412 1.00 0.00 C ATOM 1002 OD1 ASP A 130 0.470 -10.551 -11.048 1.00 0.00 O ATOM 1003 OD2 ASP A 130 2.373 -11.648 -10.958 1.00 0.00 O ATOM 0 H ASP A 130 3.831 -10.221 -8.988 1.00 0.00 H new ATOM 0 HA ASP A 130 1.564 -8.762 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.083 -11.659 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 130 0.437 -11.061 -8.516 1.00 0.00 H new ATOM 1008 N GLN A 131 1.875 -9.904 -6.064 1.00 0.00 N ATOM 1009 CA GLN A 131 1.433 -9.693 -4.690 1.00 0.00 C ATOM 1010 C GLN A 131 1.348 -8.205 -4.368 1.00 0.00 C ATOM 1011 O GLN A 131 0.465 -7.769 -3.629 1.00 0.00 O ATOM 1012 CB GLN A 131 2.385 -10.385 -3.714 1.00 0.00 C ATOM 1013 CG GLN A 131 2.167 -11.886 -3.611 1.00 0.00 C ATOM 1014 CD GLN A 131 3.316 -12.598 -2.925 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.157 -11.968 -2.283 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.357 -13.919 -3.055 1.00 0.00 N ATOM 0 H GLN A 131 2.580 -10.633 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 131 0.438 -10.126 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.412 -10.196 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.265 -9.940 -2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.246 -12.078 -3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.034 -12.299 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 131 2.639 -14.401 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.106 -14.452 -2.614 1.00 0.00 H new ATOM 1025 N ALA A 132 2.272 -7.430 -4.926 1.00 0.00 N ATOM 1026 CA ALA A 132 2.301 -5.990 -4.699 1.00 0.00 C ATOM 1027 C ALA A 132 1.281 -5.276 -5.578 1.00 0.00 C ATOM 1028 O ALA A 132 0.605 -4.348 -5.133 1.00 0.00 O ATOM 1029 CB ALA A 132 3.697 -5.443 -4.955 1.00 0.00 C ATOM 0 H ALA A 132 3.011 -7.775 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 132 2.037 -5.806 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.704 -4.367 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.405 -5.924 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.984 -5.646 -5.987 1.00 0.00 H new ATOM 1035 N ARG A 133 1.175 -5.713 -6.829 1.00 0.00 N ATOM 1036 CA ARG A 133 0.239 -5.113 -7.772 1.00 0.00 C ATOM 1037 C ARG A 133 -1.167 -5.058 -7.181 1.00 0.00 C ATOM 1038 O ARG A 133 -1.835 -4.026 -7.240 1.00 0.00 O ATOM 1039 CB ARG A 133 0.223 -5.904 -9.081 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.570 -5.231 -10.190 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.352 -5.920 -11.527 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.473 -5.711 -12.440 1.00 0.00 N ATOM 1043 CZ ARG A 133 -1.583 -6.312 -13.619 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -0.646 -7.156 -14.026 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -2.633 -6.070 -14.393 1.00 0.00 N ATOM 0 H ARG A 133 1.726 -6.481 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 133 0.570 -4.094 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.249 -6.053 -9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.197 -6.892 -8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.631 -5.246 -9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.275 -4.184 -10.266 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.563 -5.543 -11.984 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.211 -6.989 -11.365 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.212 -5.068 -12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.162 -7.345 -13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.733 -7.616 -14.932 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.357 -5.422 -14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -2.716 -6.532 -15.298 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.609 -6.176 -6.613 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.935 -6.255 -6.013 1.00 0.00 C ATOM 1061 C GLN A 134 -3.034 -5.351 -4.789 1.00 0.00 C ATOM 1062 O GLN A 134 -3.885 -4.465 -4.726 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.257 -7.699 -5.623 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.742 -8.020 -5.652 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.019 -9.507 -5.555 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.798 -10.255 -6.508 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.506 -9.945 -4.399 1.00 0.00 N ATOM 0 H GLN A 134 -1.068 -7.039 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.661 -5.916 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.734 -8.375 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.872 -7.891 -4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.237 -7.507 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.176 -7.633 -6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.674 -9.290 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.712 -10.936 -4.275 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.157 -5.582 -3.817 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.144 -4.787 -2.595 1.00 0.00 C ATOM 1078 C ALA A 135 -2.467 -3.326 -2.887 1.00 0.00 C ATOM 1079 O ALA A 135 -3.353 -2.739 -2.265 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.794 -4.904 -1.904 1.00 0.00 C ATOM 0 H ALA A 135 -1.447 -6.313 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.915 -5.176 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.798 -4.305 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.604 -5.947 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.011 -4.543 -2.571 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.742 -2.743 -3.835 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.951 -1.349 -4.209 1.00 0.00 C ATOM 1088 C LEU A 136 -3.221 -1.192 -5.039 1.00 0.00 C ATOM 1089 O LEU A 136 -4.094 -0.389 -4.709 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.747 -0.825 -4.995 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.944 0.511 -5.713 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.400 1.145 -6.038 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.766 0.321 -6.979 1.00 0.00 C ATOM 0 H LEU A 136 -1.004 -3.214 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 136 -2.062 -0.766 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.094 -0.725 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.467 -1.575 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.488 1.182 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.240 2.095 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.953 1.318 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.971 0.477 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.896 1.282 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.250 -0.367 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.743 -0.089 -6.721 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.319 -1.965 -6.114 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.484 -1.915 -6.990 1.00 0.00 C ATOM 1107 C ASP A 137 -5.772 -1.839 -6.175 1.00 0.00 C ATOM 1108 O ASP A 137 -6.798 -1.359 -6.659 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.515 -3.140 -7.904 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.701 -2.940 -9.167 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.550 -2.468 -9.062 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.215 -3.256 -10.261 1.00 0.00 O ATOM 0 H ASP A 137 -2.605 -2.635 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.409 -1.017 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.132 -4.004 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.548 -3.364 -8.172 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.712 -2.318 -4.937 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.873 -2.305 -4.055 1.00 0.00 C ATOM 1119 C LYS A 138 -6.730 -1.228 -2.984 1.00 0.00 C ATOM 1120 O LYS A 138 -7.550 -0.313 -2.897 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.052 -3.674 -3.395 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.339 -4.792 -4.382 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.750 -4.696 -4.939 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.235 -6.039 -5.463 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.452 -5.897 -6.309 1.00 0.00 N ATOM 0 H LYS A 138 -4.872 -2.720 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.753 -2.080 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.150 -3.918 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.869 -3.617 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.620 -4.750 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.206 -5.756 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.426 -4.342 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.776 -3.960 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.442 -6.510 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.451 -6.700 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.751 -6.834 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.217 -5.471 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.239 -5.287 -7.124 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.685 -1.342 -2.172 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.434 -0.377 -1.108 1.00 0.00 C ATOM 1141 C LEU A 139 -5.525 1.052 -1.635 1.00 0.00 C ATOM 1142 O LEU A 139 -6.161 1.910 -1.025 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.056 -0.617 -0.488 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.889 -1.923 0.290 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.415 -2.258 0.459 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.575 -1.827 1.645 1.00 0.00 C ATOM 0 H LEU A 139 -4.998 -2.093 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.198 -0.512 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.312 -0.594 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.831 0.213 0.182 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.360 -2.726 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.315 -3.190 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.952 -2.369 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.920 -1.455 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.446 -2.765 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.133 -1.013 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.638 -1.634 1.502 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.886 1.298 -2.775 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.896 2.622 -3.386 1.00 0.00 C ATOM 1160 C ASN A 140 -6.296 3.228 -3.348 1.00 0.00 C ATOM 1161 O ASN A 140 -6.458 4.446 -3.411 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.401 2.543 -4.832 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.676 3.817 -5.607 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.828 4.164 -5.864 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.614 4.519 -5.985 1.00 0.00 N ATOM 0 H ASN A 140 -4.355 0.598 -3.294 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.226 3.264 -2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.330 2.342 -4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.884 1.704 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.736 5.384 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.677 4.193 -5.749 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.305 2.368 -3.244 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.677 2.837 -3.199 1.00 0.00 C ATOM 1174 C GLY A 141 -9.457 2.239 -2.045 1.00 0.00 C ATOM 1175 O GLY A 141 -10.627 2.563 -1.842 1.00 0.00 O ATOM 0 H GLY A 141 -7.196 1.355 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.684 3.924 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.174 2.588 -4.137 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.808 1.361 -1.287 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.449 0.713 -0.148 1.00 0.00 C ATOM 1181 C PHE A 142 -9.856 1.741 0.904 1.00 0.00 C ATOM 1182 O PHE A 142 -9.015 2.257 1.639 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.509 -0.324 0.471 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.168 -1.183 1.512 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.637 -0.628 2.692 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.318 -2.546 1.311 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.243 -1.417 3.652 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.923 -3.340 2.267 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.387 -2.774 3.439 1.00 0.00 C ATOM 0 H PHE A 142 -7.839 1.082 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.348 0.210 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.114 -0.963 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.659 0.190 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.528 0.433 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -8.958 -2.993 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.604 -0.973 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.033 -4.401 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.861 -3.392 4.187 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.151 2.032 0.969 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.669 2.998 1.929 1.00 0.00 C ATOM 1201 C GLN A 143 -11.788 2.376 3.317 1.00 0.00 C ATOM 1202 O GLN A 143 -12.744 1.656 3.607 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.033 3.521 1.474 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.356 4.912 1.995 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.743 5.377 1.597 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.354 4.830 0.678 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.249 6.392 2.288 1.00 0.00 N ATOM 0 H GLN A 143 -11.860 1.612 0.368 1.00 0.00 H new ATOM 0 HA GLN A 143 -10.968 3.831 1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.063 3.534 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.807 2.829 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.273 4.917 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.617 5.618 1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -14.708 6.816 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.179 6.748 2.065 1.00 0.00 H new ATOM 1216 N LEU A 144 -10.811 2.659 4.172 1.00 0.00 N ATOM 1217 CA LEU A 144 -10.805 2.127 5.530 1.00 0.00 C ATOM 1218 C LEU A 144 -11.122 3.221 6.544 1.00 0.00 C ATOM 1219 O LEU A 144 -10.367 4.181 6.692 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.447 1.500 5.847 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.424 0.494 6.999 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.208 -0.413 6.892 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.438 1.216 8.338 1.00 0.00 C ATOM 0 H LEU A 144 -10.013 3.254 3.949 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.577 1.360 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.081 1.002 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.744 2.301 6.077 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.319 -0.125 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.209 -1.122 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.242 -0.957 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.300 0.189 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.421 0.485 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.562 1.860 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.341 1.822 8.415 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.243 3.066 7.242 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.659 4.041 8.244 1.00 0.00 C ATOM 1237 C GLU A 145 -12.848 5.419 7.617 1.00 0.00 C ATOM 1238 O GLU A 145 -12.369 6.423 8.142 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.627 4.119 9.371 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.663 2.928 10.313 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.199 3.278 11.714 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -12.046 3.688 12.534 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -9.989 3.141 11.990 1.00 0.00 O ATOM 0 H GLU A 145 -12.879 2.276 7.132 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.614 3.715 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.631 4.197 8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.796 5.030 9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.679 2.536 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.032 2.134 9.913 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.550 5.458 6.489 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.802 6.712 5.788 1.00 0.00 C ATOM 1252 C ASN A 146 -12.493 7.370 5.362 1.00 0.00 C ATOM 1253 O ASN A 146 -12.406 8.594 5.259 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.600 7.667 6.679 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.869 7.033 7.214 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.916 6.584 8.360 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.906 6.994 6.386 1.00 0.00 N ATOM 0 H ASN A 146 -13.954 4.636 6.041 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.383 6.489 4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.977 7.987 7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.855 8.562 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.787 6.580 6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.822 7.378 5.445 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.478 6.549 5.115 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.173 7.051 4.701 1.00 0.00 C ATOM 1266 C PHE A 147 -9.614 6.224 3.547 1.00 0.00 C ATOM 1267 O PHE A 147 -9.161 5.095 3.738 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.196 7.028 5.879 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.331 8.213 6.792 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.882 9.463 6.397 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.905 8.077 8.045 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -9.005 10.556 7.235 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -10.031 9.165 8.887 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.579 10.406 8.482 1.00 0.00 C ATOM 0 H PHE A 147 -11.534 5.534 5.194 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.298 8.079 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.354 6.116 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.177 6.989 5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.431 9.585 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.258 7.109 8.368 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.653 11.525 6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.482 9.045 9.861 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.674 11.257 9.140 1.00 0.00 H new ATOM 1284 N THR A 148 -9.650 6.794 2.346 1.00 0.00 N ATOM 1285 CA THR A 148 -9.149 6.111 1.160 1.00 0.00 C ATOM 1286 C THR A 148 -7.634 5.953 1.215 1.00 0.00 C ATOM 1287 O THR A 148 -6.891 6.910 0.994 1.00 0.00 O ATOM 1288 CB THR A 148 -9.528 6.869 -0.126 1.00 0.00 C ATOM 1289 OG1 THR A 148 -10.926 7.179 -0.118 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.194 6.043 -1.359 1.00 0.00 C ATOM 0 H THR A 148 -10.021 7.728 2.170 1.00 0.00 H new ATOM 0 HA THR A 148 -9.614 5.125 1.143 1.00 0.00 H new ATOM 0 HB THR A 148 -8.951 7.793 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.159 7.662 -0.938 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.470 6.599 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.125 5.833 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.747 5.104 -1.329 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.181 4.739 1.510 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.753 4.455 1.593 1.00 0.00 C ATOM 1300 C LEU A 149 -5.054 4.789 0.280 1.00 0.00 C ATOM 1301 O LEU A 149 -5.288 4.145 -0.743 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.526 2.984 1.945 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.211 2.484 3.217 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.041 0.979 3.360 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.658 3.203 4.439 1.00 0.00 C ATOM 0 H LEU A 149 -7.782 3.936 1.696 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.328 5.080 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -5.868 2.374 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.454 2.816 2.044 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.276 2.703 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.535 0.642 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.486 0.479 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -4.980 0.736 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.157 2.834 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.587 3.016 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.833 4.274 4.341 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.192 5.800 0.315 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.455 6.219 -0.871 1.00 0.00 C ATOM 1319 C LYS A 150 -2.140 5.456 -0.993 1.00 0.00 C ATOM 1320 O LYS A 150 -1.229 5.636 -0.185 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.180 7.724 -0.821 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.438 8.569 -0.719 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.148 10.035 -0.994 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.379 10.758 -1.519 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.030 12.055 -2.161 1.00 0.00 N ATOM 0 H LYS A 150 -3.987 6.345 1.153 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.067 5.996 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.538 7.939 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.629 8.014 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.181 8.205 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.869 8.463 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.805 10.517 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.339 10.117 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.893 10.123 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.074 10.935 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.896 12.516 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.562 12.672 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.387 11.885 -2.961 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.048 4.603 -2.009 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.844 3.813 -2.237 1.00 0.00 C ATOM 1341 C VAL A 151 -0.175 4.201 -3.551 1.00 0.00 C ATOM 1342 O VAL A 151 -0.845 4.422 -4.559 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.157 2.305 -2.258 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.127 1.493 -2.187 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.093 1.940 -1.116 1.00 0.00 C ATOM 0 H VAL A 151 -2.793 4.442 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.165 4.023 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.657 2.068 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.113 0.430 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.758 1.735 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.658 1.731 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.304 0.871 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.622 2.191 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -3.025 2.496 -1.217 1.00 0.00 H new ATOM 1355 N ALA A 152 1.152 4.279 -3.532 1.00 0.00 N ATOM 1356 CA ALA A 152 1.913 4.637 -4.723 1.00 0.00 C ATOM 1357 C ALA A 152 3.265 3.933 -4.742 1.00 0.00 C ATOM 1358 O ALA A 152 3.917 3.790 -3.707 1.00 0.00 O ATOM 1359 CB ALA A 152 2.100 6.145 -4.797 1.00 0.00 C ATOM 0 H ALA A 152 1.722 4.099 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 152 1.349 4.309 -5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.670 6.398 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.125 6.631 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.639 6.489 -3.914 1.00 0.00 H new ATOM 1365 N TYR A 153 3.682 3.494 -5.925 1.00 0.00 N ATOM 1366 CA TYR A 153 4.956 2.802 -6.078 1.00 0.00 C ATOM 1367 C TYR A 153 6.119 3.711 -5.695 1.00 0.00 C ATOM 1368 O TYR A 153 6.362 4.732 -6.340 1.00 0.00 O ATOM 1369 CB TYR A 153 5.126 2.316 -7.518 1.00 0.00 C ATOM 1370 CG TYR A 153 4.420 1.010 -7.804 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.984 -0.204 -7.432 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.188 0.990 -8.446 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.343 -1.399 -7.692 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.539 -0.201 -8.709 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.121 -1.393 -8.330 1.00 0.00 C ATOM 1376 OH TYR A 153 2.478 -2.582 -8.590 1.00 0.00 O ATOM 0 H TYR A 153 3.156 3.605 -6.792 1.00 0.00 H new ATOM 0 HA TYR A 153 4.956 1.942 -5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.748 3.080 -8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.189 2.199 -7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.941 -0.213 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.730 1.921 -8.745 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.797 -2.334 -7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.581 -0.199 -9.208 1.00 0.00 H new ATOM 0 HH TYR A 153 1.628 -2.402 -9.044 1.00 0.00 H new ATOM 1386 N ILE A 154 6.835 3.333 -4.642 1.00 0.00 N ATOM 1387 CA ILE A 154 7.975 4.112 -4.173 1.00 0.00 C ATOM 1388 C ILE A 154 9.135 4.036 -5.159 1.00 0.00 C ATOM 1389 O ILE A 154 9.445 2.980 -5.712 1.00 0.00 O ATOM 1390 CB ILE A 154 8.456 3.630 -2.792 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.338 3.775 -1.758 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.689 4.410 -2.359 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.719 3.279 -0.381 1.00 0.00 C ATOM 0 H ILE A 154 6.646 2.492 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 154 7.639 5.146 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 154 8.723 2.576 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.051 4.824 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.462 3.226 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.017 4.058 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.488 4.260 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.446 5.471 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.878 3.413 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 154 7.978 2.222 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.576 3.844 -0.015 1.00 0.00 H new