USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 119 THR OG1 : rot -120:sc= -0.0202 USER MOD Set 2.1: A 82 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 GLN : amide:sc= 0 X(o=-2.4,f=-2.4) USER MOD Set 2.3: A 123 ASN : amide:sc= -2.41 K(o=-2.4,f=-6.1!) USER MOD Single : A 87 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 91 HIS : no HE2:sc=-0.00885 K(o=-0.0089,f=-0.69) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 115 THR OG1 : rot -50:sc= 0.406 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot -6:sc= 1.12 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -3.8! C(o=-3.8!,f=-7.8!) 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= -1.81! C(o=-1.8!,f=-4.9!) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= -0.337 K(o=-0.34,f=-3.1!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 30:sc= -0.213 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.670 -0.999 -3.552 1.00 0.00 N ATOM 238 CA LYS A 82 8.935 -0.810 -2.307 1.00 0.00 C ATOM 239 C LYS A 82 7.624 -0.071 -2.556 1.00 0.00 C ATOM 240 O LYS A 82 7.468 0.612 -3.569 1.00 0.00 O ATOM 241 CB LYS A 82 9.788 -0.034 -1.301 1.00 0.00 C ATOM 242 CG LYS A 82 9.491 -0.386 0.147 1.00 0.00 C ATOM 243 CD LYS A 82 9.821 0.767 1.080 1.00 0.00 C ATOM 244 CE LYS A 82 11.183 1.367 0.764 1.00 0.00 C ATOM 245 NZ LYS A 82 11.677 2.233 1.869 1.00 0.00 N ATOM 0 HA LYS A 82 8.705 -1.793 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.841 -0.227 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.626 1.034 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.438 -0.649 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.068 -1.265 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.054 1.537 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.807 0.417 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.899 0.566 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.118 1.951 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.615 2.609 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.015 3.022 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.747 1.674 2.743 1.00 0.00 H new ATOM 259 N LEU A 83 6.686 -0.210 -1.626 1.00 0.00 N ATOM 260 CA LEU A 83 5.389 0.447 -1.743 1.00 0.00 C ATOM 261 C LEU A 83 5.125 1.350 -0.543 1.00 0.00 C ATOM 262 O LEU A 83 5.460 1.005 0.590 1.00 0.00 O ATOM 263 CB LEU A 83 4.277 -0.596 -1.866 1.00 0.00 C ATOM 264 CG LEU A 83 4.168 -1.305 -3.216 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.283 -2.537 -3.103 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.628 -0.356 -4.276 1.00 0.00 C ATOM 0 H LEU A 83 6.799 -0.772 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 83 5.401 1.064 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.427 -1.350 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.325 -0.109 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 83 5.166 -1.625 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.217 -3.028 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.711 -3.227 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.286 -2.240 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.557 -0.878 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.639 -0.005 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.300 0.496 -4.378 1.00 0.00 H new ATOM 278 N GLN A 84 4.520 2.505 -0.799 1.00 0.00 N ATOM 279 CA GLN A 84 4.209 3.456 0.261 1.00 0.00 C ATOM 280 C GLN A 84 2.702 3.597 0.442 1.00 0.00 C ATOM 281 O GLN A 84 1.965 3.781 -0.528 1.00 0.00 O ATOM 282 CB GLN A 84 4.828 4.820 -0.051 1.00 0.00 C ATOM 283 CG GLN A 84 4.333 5.935 0.857 1.00 0.00 C ATOM 284 CD GLN A 84 5.209 7.170 0.795 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.906 8.125 0.079 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.303 7.159 1.547 1.00 0.00 N ATOM 0 H GLN A 84 4.235 2.805 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 84 4.633 3.077 1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.912 4.746 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.608 5.081 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.314 6.202 0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.295 5.572 1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.516 6.346 2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.931 7.963 1.546 1.00 0.00 H new ATOM 295 N ILE A 85 2.249 3.510 1.688 1.00 0.00 N ATOM 296 CA ILE A 85 0.829 3.629 1.995 1.00 0.00 C ATOM 297 C ILE A 85 0.554 4.855 2.858 1.00 0.00 C ATOM 298 O ILE A 85 1.313 5.163 3.778 1.00 0.00 O ATOM 299 CB ILE A 85 0.303 2.376 2.720 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.603 1.121 1.897 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.191 2.502 2.979 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.054 -0.148 2.510 1.00 0.00 C ATOM 0 H ILE A 85 2.845 3.357 2.502 1.00 0.00 H new ATOM 0 HA ILE A 85 0.308 3.734 1.043 1.00 0.00 H new ATOM 0 HB ILE A 85 0.812 2.289 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.185 1.243 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.682 1.022 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.548 1.609 3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.380 3.377 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.717 2.610 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.304 -0.997 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.491 -0.294 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.029 -0.069 2.601 1.00 0.00 H new ATOM 314 N ARG A 86 -0.537 5.552 2.557 1.00 0.00 N ATOM 315 CA ARG A 86 -0.913 6.744 3.306 1.00 0.00 C ATOM 316 C ARG A 86 -2.426 6.811 3.498 1.00 0.00 C ATOM 317 O ARG A 86 -3.152 5.901 3.103 1.00 0.00 O ATOM 318 CB ARG A 86 -0.424 8.001 2.584 1.00 0.00 C ATOM 319 CG ARG A 86 1.072 8.009 2.320 1.00 0.00 C ATOM 320 CD ARG A 86 1.427 8.911 1.148 1.00 0.00 C ATOM 321 NE ARG A 86 1.410 8.190 -0.122 1.00 0.00 N ATOM 322 CZ ARG A 86 1.354 8.789 -1.306 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.309 10.112 -1.382 1.00 0.00 N ATOM 324 NH2 ARG A 86 1.342 8.065 -2.418 1.00 0.00 N ATOM 0 H ARG A 86 -1.176 5.311 1.799 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.441 6.690 4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.952 8.093 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.684 8.876 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.598 8.347 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.412 6.994 2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.722 9.741 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.416 9.341 1.308 1.00 0.00 H new ATOM 0 HE ARG A 86 1.443 7.171 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.317 10.672 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.266 10.569 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.376 7.047 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.299 8.527 -3.327 1.00 0.00 H new ATOM 338 N ASN A 87 -2.892 7.896 4.109 1.00 0.00 N ATOM 339 CA ASN A 87 -4.318 8.081 4.355 1.00 0.00 C ATOM 340 C ASN A 87 -4.862 6.976 5.256 1.00 0.00 C ATOM 341 O ASN A 87 -5.985 6.506 5.069 1.00 0.00 O ATOM 342 CB ASN A 87 -5.086 8.101 3.032 1.00 0.00 C ATOM 343 CG ASN A 87 -5.224 9.500 2.465 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.247 10.243 2.371 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.442 9.866 2.083 1.00 0.00 N ATOM 0 H ASN A 87 -2.304 8.660 4.442 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.454 9.037 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.574 7.467 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.077 7.674 3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.596 10.796 1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.223 9.217 2.179 1.00 0.00 H new ATOM 352 N ILE A 88 -4.059 6.568 6.233 1.00 0.00 N ATOM 353 CA ILE A 88 -4.461 5.520 7.163 1.00 0.00 C ATOM 354 C ILE A 88 -5.048 6.114 8.440 1.00 0.00 C ATOM 355 O ILE A 88 -4.494 7.039 9.035 1.00 0.00 O ATOM 356 CB ILE A 88 -3.276 4.609 7.532 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.685 3.971 6.273 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.717 3.538 8.518 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.233 3.573 6.422 1.00 0.00 C ATOM 0 H ILE A 88 -3.127 6.947 6.401 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.222 4.925 6.658 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.505 5.215 8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.270 3.089 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.778 4.671 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.868 2.902 8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.096 4.011 9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.504 2.932 8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.880 3.128 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.636 4.455 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.135 2.849 7.231 1.00 0.00 H new ATOM 371 N PRO A 89 -6.195 5.571 8.873 1.00 0.00 N ATOM 372 CA PRO A 89 -6.880 6.030 10.084 1.00 0.00 C ATOM 373 C PRO A 89 -6.116 5.670 11.354 1.00 0.00 C ATOM 374 O PRO A 89 -5.814 4.505 11.616 1.00 0.00 O ATOM 375 CB PRO A 89 -8.219 5.288 10.037 1.00 0.00 C ATOM 376 CG PRO A 89 -7.947 4.068 9.227 1.00 0.00 C ATOM 377 CD PRO A 89 -6.911 4.466 8.213 1.00 0.00 C ATOM 0 HA PRO A 89 -6.979 7.115 10.110 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.564 5.030 11.038 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.996 5.901 9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.585 3.255 9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.855 3.713 8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.242 3.639 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.367 4.786 7.276 1.00 0.00 H new ATOM 385 N PRO A 90 -5.796 6.691 12.163 1.00 0.00 N ATOM 386 CA PRO A 90 -5.065 6.506 13.419 1.00 0.00 C ATOM 387 C PRO A 90 -5.903 5.801 14.480 1.00 0.00 C ATOM 388 O PRO A 90 -5.448 5.587 15.604 1.00 0.00 O ATOM 389 CB PRO A 90 -4.743 7.937 13.857 1.00 0.00 C ATOM 390 CG PRO A 90 -5.798 8.774 13.219 1.00 0.00 C ATOM 391 CD PRO A 90 -6.125 8.104 11.913 1.00 0.00 C ATOM 0 HA PRO A 90 -4.184 5.877 13.288 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.764 8.033 14.943 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.748 8.237 13.530 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.681 8.841 13.855 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.444 9.792 13.057 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.175 8.231 11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.537 8.515 11.092 1.00 0.00 H new ATOM 399 N HIS A 91 -7.129 5.440 14.116 1.00 0.00 N ATOM 400 CA HIS A 91 -8.031 4.757 15.036 1.00 0.00 C ATOM 401 C HIS A 91 -7.856 3.244 14.947 1.00 0.00 C ATOM 402 O HIS A 91 -7.907 2.542 15.957 1.00 0.00 O ATOM 403 CB HIS A 91 -9.482 5.133 14.735 1.00 0.00 C ATOM 404 CG HIS A 91 -9.667 6.579 14.391 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.566 7.017 13.441 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.065 7.689 14.877 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.506 8.334 13.356 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.603 8.766 14.218 1.00 0.00 N ATOM 0 H HIS A 91 -7.521 5.609 13.190 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.784 5.074 16.049 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.843 4.522 13.908 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.098 4.892 15.601 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.181 6.418 12.890 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.303 7.721 15.641 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.095 8.952 12.695 1.00 0.00 H new ATOM 416 N LEU A 92 -7.649 2.749 13.731 1.00 0.00 N ATOM 417 CA LEU A 92 -7.466 1.319 13.509 1.00 0.00 C ATOM 418 C LEU A 92 -6.209 0.815 14.211 1.00 0.00 C ATOM 419 O LEU A 92 -5.249 1.562 14.396 1.00 0.00 O ATOM 420 CB LEU A 92 -7.382 1.022 12.011 1.00 0.00 C ATOM 421 CG LEU A 92 -6.666 -0.272 11.622 1.00 0.00 C ATOM 422 CD1 LEU A 92 -7.235 -0.828 10.326 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.168 -0.034 11.491 1.00 0.00 C ATOM 0 H LEU A 92 -7.604 3.317 12.885 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.327 0.798 13.928 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.395 0.987 11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.875 1.855 11.524 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.829 -1.006 12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.713 -1.749 10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.297 -1.037 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.103 -0.098 9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.674 -0.965 11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.985 0.717 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.771 0.318 12.443 1.00 0.00 H new ATOM 435 N GLN A 93 -6.222 -0.457 14.596 1.00 0.00 N ATOM 436 CA GLN A 93 -5.082 -1.061 15.276 1.00 0.00 C ATOM 437 C GLN A 93 -4.078 -1.612 14.269 1.00 0.00 C ATOM 438 O GLN A 93 -4.456 -2.257 13.291 1.00 0.00 O ATOM 439 CB GLN A 93 -5.551 -2.178 16.210 1.00 0.00 C ATOM 440 CG GLN A 93 -6.064 -1.675 17.550 1.00 0.00 C ATOM 441 CD GLN A 93 -4.960 -1.524 18.578 1.00 0.00 C ATOM 442 OE1 GLN A 93 -3.819 -1.210 18.239 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.294 -1.747 19.843 1.00 0.00 N ATOM 0 H GLN A 93 -7.009 -1.089 14.449 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.591 -0.287 15.866 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.341 -2.745 15.717 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.724 -2.867 16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.557 -0.713 17.408 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.817 -2.366 17.929 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.252 -2.005 20.080 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.593 -1.660 20.579 1.00 0.00 H new ATOM 452 N TRP A 94 -2.799 -1.354 14.516 1.00 0.00 N ATOM 453 CA TRP A 94 -1.740 -1.824 13.630 1.00 0.00 C ATOM 454 C TRP A 94 -1.936 -3.296 13.280 1.00 0.00 C ATOM 455 O TRP A 94 -1.967 -3.664 12.107 1.00 0.00 O ATOM 456 CB TRP A 94 -0.372 -1.621 14.283 1.00 0.00 C ATOM 457 CG TRP A 94 0.774 -1.856 13.347 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.332 -3.059 13.020 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.504 -0.862 12.620 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.364 -2.873 12.132 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.490 -1.534 11.870 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.420 0.530 12.526 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.383 -0.861 11.042 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.308 1.197 11.704 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.278 0.502 10.970 1.00 0.00 C ATOM 0 H TRP A 94 -2.470 -0.822 15.322 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.786 -1.241 12.710 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.311 -0.605 14.673 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.280 -2.295 15.135 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.009 -4.016 13.403 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.943 -3.612 11.733 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.674 1.075 13.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.132 -1.395 10.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.253 2.273 11.626 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.956 1.052 10.335 1.00 0.00 H new ATOM 476 N GLU A 95 -2.068 -4.131 14.306 1.00 0.00 N ATOM 477 CA GLU A 95 -2.261 -5.562 14.105 1.00 0.00 C ATOM 478 C GLU A 95 -3.186 -5.825 12.920 1.00 0.00 C ATOM 479 O GLU A 95 -2.894 -6.661 12.064 1.00 0.00 O ATOM 480 CB GLU A 95 -2.838 -6.204 15.368 1.00 0.00 C ATOM 481 CG GLU A 95 -4.250 -5.746 15.693 1.00 0.00 C ATOM 482 CD GLU A 95 -4.633 -6.015 17.136 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.044 -5.380 18.035 1.00 0.00 O ATOM 484 OE2 GLU A 95 -5.523 -6.861 17.365 1.00 0.00 O ATOM 0 H GLU A 95 -2.045 -3.841 15.284 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.289 -6.007 13.891 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.835 -7.287 15.249 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.187 -5.974 16.212 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.337 -4.678 15.491 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.954 -6.254 15.033 1.00 0.00 H new ATOM 491 N VAL A 96 -4.302 -5.106 12.877 1.00 0.00 N ATOM 492 CA VAL A 96 -5.270 -5.260 11.797 1.00 0.00 C ATOM 493 C VAL A 96 -4.624 -5.009 10.440 1.00 0.00 C ATOM 494 O VAL A 96 -4.804 -5.785 9.500 1.00 0.00 O ATOM 495 CB VAL A 96 -6.463 -4.302 11.971 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.427 -4.430 10.801 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.173 -4.569 13.290 1.00 0.00 C ATOM 0 H VAL A 96 -4.559 -4.411 13.578 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.630 -6.288 11.840 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.086 -3.280 11.989 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.263 -3.745 10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.909 -4.184 9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.800 -5.453 10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.013 -3.883 13.396 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.539 -5.596 13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.476 -4.420 14.115 1.00 0.00 H new ATOM 507 N LEU A 97 -3.870 -3.920 10.342 1.00 0.00 N ATOM 508 CA LEU A 97 -3.195 -3.565 9.099 1.00 0.00 C ATOM 509 C LEU A 97 -2.293 -4.701 8.625 1.00 0.00 C ATOM 510 O LEU A 97 -2.489 -5.252 7.542 1.00 0.00 O ATOM 511 CB LEU A 97 -2.371 -2.290 9.288 1.00 0.00 C ATOM 512 CG LEU A 97 -1.802 -1.663 8.015 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.925 -1.237 7.082 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.912 -0.477 8.356 1.00 0.00 C ATOM 0 H LEU A 97 -3.711 -3.267 11.109 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.956 -3.389 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.995 -1.548 9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.543 -2.513 9.961 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.196 -2.411 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.501 -0.793 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.523 -2.107 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.557 -0.505 7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.516 -0.043 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.495 0.274 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.087 -0.810 8.985 1.00 0.00 H new ATOM 526 N ASP A 98 -1.307 -5.047 9.445 1.00 0.00 N ATOM 527 CA ASP A 98 -0.377 -6.120 9.112 1.00 0.00 C ATOM 528 C ASP A 98 -1.082 -7.230 8.339 1.00 0.00 C ATOM 529 O ASP A 98 -0.695 -7.561 7.218 1.00 0.00 O ATOM 530 CB ASP A 98 0.254 -6.690 10.384 1.00 0.00 C ATOM 531 CG ASP A 98 1.606 -7.324 10.124 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.607 -6.581 10.056 1.00 0.00 O ATOM 533 OD2 ASP A 98 1.664 -8.565 9.989 1.00 0.00 O ATOM 0 H ASP A 98 -1.131 -4.600 10.345 1.00 0.00 H new ATOM 0 HA ASP A 98 0.408 -5.704 8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.365 -5.893 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.416 -7.433 10.817 1.00 0.00 H new ATOM 538 N SER A 99 -2.118 -7.801 8.945 1.00 0.00 N ATOM 539 CA SER A 99 -2.874 -8.877 8.315 1.00 0.00 C ATOM 540 C SER A 99 -3.358 -8.462 6.929 1.00 0.00 C ATOM 541 O SER A 99 -3.111 -9.152 5.940 1.00 0.00 O ATOM 542 CB SER A 99 -4.067 -9.269 9.189 1.00 0.00 C ATOM 543 OG SER A 99 -3.647 -9.642 10.489 1.00 0.00 O ATOM 0 H SER A 99 -2.453 -7.536 9.871 1.00 0.00 H new ATOM 0 HA SER A 99 -2.214 -9.737 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.764 -8.433 9.255 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.605 -10.096 8.726 1.00 0.00 H new ATOM 0 HG SER A 99 -4.428 -9.886 11.028 1.00 0.00 H new ATOM 549 N LEU A 100 -4.050 -7.329 6.866 1.00 0.00 N ATOM 550 CA LEU A 100 -4.570 -6.820 5.602 1.00 0.00 C ATOM 551 C LEU A 100 -3.508 -6.889 4.509 1.00 0.00 C ATOM 552 O LEU A 100 -3.779 -7.334 3.393 1.00 0.00 O ATOM 553 CB LEU A 100 -5.052 -5.378 5.770 1.00 0.00 C ATOM 554 CG LEU A 100 -6.429 -5.201 6.412 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.588 -3.789 6.952 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.529 -5.519 5.410 1.00 0.00 C ATOM 0 H LEU A 100 -4.264 -6.746 7.675 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.412 -7.446 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.320 -4.839 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.067 -4.904 4.788 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.513 -5.898 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.574 -3.682 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.821 -3.598 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.484 -3.074 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.502 -5.388 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.448 -4.847 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.426 -6.550 5.072 1.00 0.00 H new ATOM 568 N LEU A 101 -2.299 -6.448 4.837 1.00 0.00 N ATOM 569 CA LEU A 101 -1.194 -6.461 3.885 1.00 0.00 C ATOM 570 C LEU A 101 -0.837 -7.890 3.485 1.00 0.00 C ATOM 571 O LEU A 101 -0.479 -8.153 2.337 1.00 0.00 O ATOM 572 CB LEU A 101 0.030 -5.766 4.482 1.00 0.00 C ATOM 573 CG LEU A 101 -0.245 -4.488 5.275 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.052 -3.900 5.808 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.978 -3.471 4.412 1.00 0.00 C ATOM 0 H LEU A 101 -2.059 -6.077 5.756 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.510 -5.921 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.541 -6.473 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.718 -5.526 3.671 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.881 -4.741 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.836 -2.991 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.538 -4.624 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.714 -3.663 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.165 -2.568 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.368 -3.224 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.927 -3.892 4.080 1.00 0.00 H new ATOM 587 N VAL A 102 -0.939 -8.809 4.440 1.00 0.00 N ATOM 588 CA VAL A 102 -0.631 -10.211 4.187 1.00 0.00 C ATOM 589 C VAL A 102 -1.673 -10.848 3.274 1.00 0.00 C ATOM 590 O VAL A 102 -1.337 -11.620 2.378 1.00 0.00 O ATOM 591 CB VAL A 102 -0.554 -11.014 5.499 1.00 0.00 C ATOM 592 CG1 VAL A 102 -0.162 -12.457 5.220 1.00 0.00 C ATOM 593 CG2 VAL A 102 0.425 -10.364 6.465 1.00 0.00 C ATOM 0 H VAL A 102 -1.233 -8.607 5.396 1.00 0.00 H new ATOM 0 HA VAL A 102 0.342 -10.237 3.696 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.540 -11.014 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.113 -13.009 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.905 -12.916 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.813 -12.482 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.467 -10.945 7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.416 -10.331 6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.095 -9.350 6.690 1.00 0.00 H new ATOM 603 N GLN A 103 -2.938 -10.517 3.509 1.00 0.00 N ATOM 604 CA GLN A 103 -4.030 -11.056 2.708 1.00 0.00 C ATOM 605 C GLN A 103 -3.709 -10.966 1.220 1.00 0.00 C ATOM 606 O GLN A 103 -3.860 -11.940 0.481 1.00 0.00 O ATOM 607 CB GLN A 103 -5.330 -10.308 3.007 1.00 0.00 C ATOM 608 CG GLN A 103 -5.969 -10.703 4.329 1.00 0.00 C ATOM 609 CD GLN A 103 -7.452 -10.394 4.376 1.00 0.00 C ATOM 610 OE1 GLN A 103 -8.129 -10.386 3.347 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.966 -10.137 5.573 1.00 0.00 N ATOM 0 H GLN A 103 -3.232 -9.878 4.248 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.155 -12.106 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.129 -9.237 3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.040 -10.493 2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.819 -11.770 4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.467 -10.179 5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.368 -10.155 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.959 -9.922 5.666 1.00 0.00 H new ATOM 620 N TYR A 104 -3.266 -9.791 0.785 1.00 0.00 N ATOM 621 CA TYR A 104 -2.926 -9.573 -0.616 1.00 0.00 C ATOM 622 C TYR A 104 -1.823 -10.526 -1.063 1.00 0.00 C ATOM 623 O TYR A 104 -1.993 -11.290 -2.013 1.00 0.00 O ATOM 624 CB TYR A 104 -2.486 -8.125 -0.836 1.00 0.00 C ATOM 625 CG TYR A 104 -3.563 -7.110 -0.525 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.589 -6.858 -1.427 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.554 -6.404 0.672 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.574 -5.932 -1.147 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.537 -5.476 0.960 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.544 -5.243 0.047 1.00 0.00 C ATOM 631 OH TYR A 104 -6.525 -4.320 0.330 1.00 0.00 O ATOM 0 H TYR A 104 -3.134 -8.975 1.383 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.815 -9.770 -1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.615 -7.920 -0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.172 -8.003 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.617 -7.396 -2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.766 -6.583 1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.364 -5.748 -1.860 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.517 -4.936 1.895 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.358 -3.925 1.211 1.00 0.00 H new ATOM 641 N GLY A 105 -0.688 -10.475 -0.371 1.00 0.00 N ATOM 642 CA GLY A 105 0.428 -11.338 -0.711 1.00 0.00 C ATOM 643 C GLY A 105 1.349 -11.585 0.467 1.00 0.00 C ATOM 644 O GLY A 105 0.943 -11.450 1.621 1.00 0.00 O ATOM 0 H GLY A 105 -0.522 -9.851 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.048 -12.292 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.997 -10.888 -1.525 1.00 0.00 H new ATOM 648 N VAL A 106 2.594 -11.949 0.176 1.00 0.00 N ATOM 649 CA VAL A 106 3.576 -12.216 1.220 1.00 0.00 C ATOM 650 C VAL A 106 4.390 -10.967 1.541 1.00 0.00 C ATOM 651 O VAL A 106 5.400 -10.688 0.894 1.00 0.00 O ATOM 652 CB VAL A 106 4.536 -13.350 0.812 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.595 -13.564 1.882 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.762 -14.633 0.551 1.00 0.00 C ATOM 0 H VAL A 106 2.946 -12.066 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 106 3.020 -12.522 2.106 1.00 0.00 H new ATOM 0 HB VAL A 106 5.040 -13.063 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.264 -14.369 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.168 -12.647 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.113 -13.830 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.455 -15.424 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.230 -14.927 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.046 -14.468 -0.254 1.00 0.00 H new ATOM 664 N VAL A 107 3.945 -10.219 2.545 1.00 0.00 N ATOM 665 CA VAL A 107 4.632 -9.000 2.954 1.00 0.00 C ATOM 666 C VAL A 107 5.968 -9.318 3.616 1.00 0.00 C ATOM 667 O VAL A 107 6.011 -9.822 4.738 1.00 0.00 O ATOM 668 CB VAL A 107 3.774 -8.171 3.928 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.197 -9.059 5.020 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.593 -7.038 4.528 1.00 0.00 C ATOM 0 H VAL A 107 3.111 -10.436 3.091 1.00 0.00 H new ATOM 0 HA VAL A 107 4.807 -8.417 2.050 1.00 0.00 H new ATOM 0 HB VAL A 107 2.944 -7.734 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.594 -8.456 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.574 -9.831 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.010 -9.527 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.971 -6.463 5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.444 -7.451 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.952 -6.387 3.731 1.00 0.00 H new ATOM 680 N GLU A 108 7.057 -9.020 2.914 1.00 0.00 N ATOM 681 CA GLU A 108 8.395 -9.275 3.434 1.00 0.00 C ATOM 682 C GLU A 108 8.627 -8.513 4.735 1.00 0.00 C ATOM 683 O GLU A 108 9.011 -9.096 5.749 1.00 0.00 O ATOM 684 CB GLU A 108 9.452 -8.878 2.402 1.00 0.00 C ATOM 685 CG GLU A 108 10.727 -9.700 2.490 1.00 0.00 C ATOM 686 CD GLU A 108 11.451 -9.514 3.809 1.00 0.00 C ATOM 687 OE1 GLU A 108 11.680 -8.352 4.202 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.787 -10.533 4.449 1.00 0.00 O ATOM 0 H GLU A 108 7.039 -8.602 1.984 1.00 0.00 H new ATOM 0 HA GLU A 108 8.480 -10.342 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.030 -8.984 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.699 -7.825 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.485 -10.755 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.392 -9.421 1.672 1.00 0.00 H new ATOM 695 N SER A 109 8.391 -7.205 4.698 1.00 0.00 N ATOM 696 CA SER A 109 8.579 -6.361 5.872 1.00 0.00 C ATOM 697 C SER A 109 7.677 -5.132 5.807 1.00 0.00 C ATOM 698 O SER A 109 7.380 -4.623 4.726 1.00 0.00 O ATOM 699 CB SER A 109 10.042 -5.928 5.987 1.00 0.00 C ATOM 700 OG SER A 109 10.333 -5.455 7.291 1.00 0.00 O ATOM 0 H SER A 109 8.069 -6.707 3.868 1.00 0.00 H new ATOM 0 HA SER A 109 8.310 -6.943 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.693 -6.769 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.251 -5.145 5.258 1.00 0.00 H new ATOM 0 HG SER A 109 11.274 -5.186 7.339 1.00 0.00 H new ATOM 706 N CYS A 110 7.246 -4.660 6.972 1.00 0.00 N ATOM 707 CA CYS A 110 6.377 -3.491 7.049 1.00 0.00 C ATOM 708 C CYS A 110 7.026 -2.385 7.873 1.00 0.00 C ATOM 709 O CYS A 110 6.948 -2.386 9.101 1.00 0.00 O ATOM 710 CB CYS A 110 5.027 -3.873 7.658 1.00 0.00 C ATOM 711 SG CYS A 110 3.878 -2.487 7.831 1.00 0.00 S ATOM 0 H CYS A 110 7.484 -5.069 7.876 1.00 0.00 H new ATOM 0 HA CYS A 110 6.218 -3.119 6.037 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.564 -4.640 7.037 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.195 -4.316 8.639 1.00 0.00 H new ATOM 0 HG CYS A 110 2.765 -2.909 8.353 1.00 0.00 H new ATOM 717 N GLU A 111 7.668 -1.443 7.189 1.00 0.00 N ATOM 718 CA GLU A 111 8.333 -0.332 7.859 1.00 0.00 C ATOM 719 C GLU A 111 7.366 0.828 8.080 1.00 0.00 C ATOM 720 O GLU A 111 6.379 0.971 7.360 1.00 0.00 O ATOM 721 CB GLU A 111 9.536 0.141 7.039 1.00 0.00 C ATOM 722 CG GLU A 111 10.483 1.042 7.813 1.00 0.00 C ATOM 723 CD GLU A 111 11.399 0.267 8.740 1.00 0.00 C ATOM 724 OE1 GLU A 111 11.949 -0.766 8.303 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.565 0.692 9.903 1.00 0.00 O ATOM 0 H GLU A 111 7.742 -1.427 6.172 1.00 0.00 H new ATOM 0 HA GLU A 111 8.680 -0.683 8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.086 -0.729 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.178 0.675 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.086 1.618 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.903 1.757 8.396 1.00 0.00 H new ATOM 732 N GLN A 112 7.659 1.651 9.082 1.00 0.00 N ATOM 733 CA GLN A 112 6.815 2.797 9.399 1.00 0.00 C ATOM 734 C GLN A 112 7.368 4.072 8.770 1.00 0.00 C ATOM 735 O GLN A 112 8.560 4.164 8.474 1.00 0.00 O ATOM 736 CB GLN A 112 6.701 2.970 10.914 1.00 0.00 C ATOM 737 CG GLN A 112 5.395 3.608 11.358 1.00 0.00 C ATOM 738 CD GLN A 112 5.540 4.407 12.638 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.601 4.410 13.264 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.473 5.090 13.034 1.00 0.00 N ATOM 0 H GLN A 112 8.473 1.546 9.687 1.00 0.00 H new ATOM 0 HA GLN A 112 5.824 2.611 8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.800 1.995 11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.532 3.582 11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.027 4.261 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.646 2.830 11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.614 5.059 12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.512 5.646 13.888 1.00 0.00 H new ATOM 749 N VAL A 113 6.495 5.053 8.567 1.00 0.00 N ATOM 750 CA VAL A 113 6.896 6.323 7.973 1.00 0.00 C ATOM 751 C VAL A 113 5.973 7.453 8.416 1.00 0.00 C ATOM 752 O VAL A 113 4.833 7.216 8.814 1.00 0.00 O ATOM 753 CB VAL A 113 6.897 6.248 6.435 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.526 7.498 5.839 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.625 4.998 5.963 1.00 0.00 C ATOM 0 H VAL A 113 5.505 4.993 8.805 1.00 0.00 H new ATOM 0 HA VAL A 113 7.909 6.529 8.320 1.00 0.00 H new ATOM 0 HB VAL A 113 5.864 6.191 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.518 7.426 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.958 8.375 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.554 7.590 6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.616 4.961 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.656 5.022 6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.125 4.114 6.360 1.00 0.00 H new ATOM 765 N ASN A 114 6.474 8.682 8.342 1.00 0.00 N ATOM 766 CA ASN A 114 5.694 9.849 8.736 1.00 0.00 C ATOM 767 C ASN A 114 5.834 10.969 7.709 1.00 0.00 C ATOM 768 O ASN A 114 6.863 11.644 7.646 1.00 0.00 O ATOM 769 CB ASN A 114 6.139 10.346 10.113 1.00 0.00 C ATOM 770 CG ASN A 114 7.598 10.041 10.393 1.00 0.00 C ATOM 771 OD1 ASN A 114 8.493 10.742 9.920 1.00 0.00 O ATOM 772 ND2 ASN A 114 7.844 8.989 11.166 1.00 0.00 N ATOM 0 H ASN A 114 7.416 8.895 8.013 1.00 0.00 H new ATOM 0 HA ASN A 114 4.646 9.554 8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.976 11.422 10.178 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.520 9.883 10.881 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.806 8.734 11.389 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.071 8.436 11.536 1.00 0.00 H new ATOM 779 N THR A 115 4.793 11.161 6.905 1.00 0.00 N ATOM 780 CA THR A 115 4.800 12.198 5.880 1.00 0.00 C ATOM 781 C THR A 115 4.255 13.513 6.425 1.00 0.00 C ATOM 782 O THR A 115 3.696 14.320 5.681 1.00 0.00 O ATOM 783 CB THR A 115 3.970 11.780 4.652 1.00 0.00 C ATOM 784 OG1 THR A 115 4.251 12.651 3.551 1.00 0.00 O ATOM 785 CG2 THR A 115 2.482 11.816 4.967 1.00 0.00 C ATOM 0 H THR A 115 3.934 10.612 6.944 1.00 0.00 H new ATOM 0 HA THR A 115 5.838 12.336 5.577 1.00 0.00 H new ATOM 0 HB THR A 115 4.244 10.759 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.171 13.583 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.916 11.517 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.267 11.130 5.786 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.196 12.827 5.256 1.00 0.00 H new ATOM 793 N ASP A 116 4.420 13.723 7.726 1.00 0.00 N ATOM 794 CA ASP A 116 3.945 14.942 8.370 1.00 0.00 C ATOM 795 C ASP A 116 2.462 15.162 8.091 1.00 0.00 C ATOM 796 O ASP A 116 2.043 16.265 7.740 1.00 0.00 O ATOM 797 CB ASP A 116 4.752 16.148 7.886 1.00 0.00 C ATOM 798 CG ASP A 116 4.720 17.299 8.871 1.00 0.00 C ATOM 799 OD1 ASP A 116 3.789 18.127 8.787 1.00 0.00 O ATOM 800 OD2 ASP A 116 5.627 17.372 9.727 1.00 0.00 O ATOM 0 H ASP A 116 4.879 13.065 8.356 1.00 0.00 H new ATOM 0 HA ASP A 116 4.081 14.831 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.786 15.846 7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.358 16.484 6.927 1.00 0.00 H new ATOM 805 N SER A 117 1.672 14.104 8.248 1.00 0.00 N ATOM 806 CA SER A 117 0.236 14.180 8.008 1.00 0.00 C ATOM 807 C SER A 117 -0.544 13.678 9.219 1.00 0.00 C ATOM 808 O SER A 117 0.024 13.081 10.132 1.00 0.00 O ATOM 809 CB SER A 117 -0.140 13.363 6.770 1.00 0.00 C ATOM 810 OG SER A 117 -0.142 11.975 7.057 1.00 0.00 O ATOM 0 H SER A 117 2.003 13.184 8.540 1.00 0.00 H new ATOM 0 HA SER A 117 -0.024 15.225 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.125 13.666 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.565 13.570 5.965 1.00 0.00 H new ATOM 0 HG SER A 117 -0.387 11.475 6.251 1.00 0.00 H new ATOM 816 N GLU A 118 -1.851 13.927 9.218 1.00 0.00 N ATOM 817 CA GLU A 118 -2.709 13.501 10.317 1.00 0.00 C ATOM 818 C GLU A 118 -2.876 11.984 10.321 1.00 0.00 C ATOM 819 O GLU A 118 -2.910 11.354 11.378 1.00 0.00 O ATOM 820 CB GLU A 118 -4.079 14.176 10.214 1.00 0.00 C ATOM 821 CG GLU A 118 -5.097 13.369 9.426 1.00 0.00 C ATOM 822 CD GLU A 118 -6.245 14.218 8.916 1.00 0.00 C ATOM 823 OE1 GLU A 118 -5.978 15.239 8.248 1.00 0.00 O ATOM 824 OE2 GLU A 118 -7.411 13.860 9.183 1.00 0.00 O ATOM 0 H GLU A 118 -2.337 14.421 8.469 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.234 13.799 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.465 14.351 11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.959 15.152 9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.601 12.890 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.491 12.573 10.057 1.00 0.00 H new ATOM 831 N THR A 119 -2.982 11.403 9.129 1.00 0.00 N ATOM 832 CA THR A 119 -3.147 9.961 8.994 1.00 0.00 C ATOM 833 C THR A 119 -1.816 9.237 9.159 1.00 0.00 C ATOM 834 O THR A 119 -0.752 9.853 9.098 1.00 0.00 O ATOM 835 CB THR A 119 -3.754 9.591 7.628 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.955 10.137 6.572 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.180 10.109 7.511 1.00 0.00 C ATOM 0 H THR A 119 -2.956 11.909 8.244 1.00 0.00 H new ATOM 0 HA THR A 119 -3.829 9.646 9.784 1.00 0.00 H new ATOM 0 HB THR A 119 -3.771 8.504 7.546 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.499 10.747 6.032 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.588 9.836 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.793 9.669 8.298 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.182 11.194 7.613 1.00 0.00 H new ATOM 845 N ALA A 120 -1.882 7.926 9.367 1.00 0.00 N ATOM 846 CA ALA A 120 -0.681 7.118 9.537 1.00 0.00 C ATOM 847 C ALA A 120 -0.044 6.791 8.191 1.00 0.00 C ATOM 848 O ALA A 120 -0.735 6.659 7.181 1.00 0.00 O ATOM 849 CB ALA A 120 -1.009 5.839 10.293 1.00 0.00 C ATOM 0 H ALA A 120 -2.755 7.401 9.422 1.00 0.00 H new ATOM 0 HA ALA A 120 0.037 7.697 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.103 5.245 10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.411 6.090 11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.748 5.265 9.734 1.00 0.00 H new ATOM 855 N VAL A 121 1.280 6.664 8.184 1.00 0.00 N ATOM 856 CA VAL A 121 2.011 6.352 6.961 1.00 0.00 C ATOM 857 C VAL A 121 3.014 5.228 7.193 1.00 0.00 C ATOM 858 O VAL A 121 3.695 5.190 8.218 1.00 0.00 O ATOM 859 CB VAL A 121 2.756 7.588 6.423 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.502 7.245 5.142 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.785 8.736 6.192 1.00 0.00 C ATOM 0 H VAL A 121 1.867 6.772 9.011 1.00 0.00 H new ATOM 0 HA VAL A 121 1.275 6.031 6.224 1.00 0.00 H new ATOM 0 HB VAL A 121 3.486 7.904 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.023 8.130 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.226 6.455 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.793 6.904 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.328 9.601 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.030 8.434 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.300 8.997 7.132 1.00 0.00 H new ATOM 871 N VAL A 122 3.102 4.313 6.232 1.00 0.00 N ATOM 872 CA VAL A 122 4.024 3.188 6.330 1.00 0.00 C ATOM 873 C VAL A 122 4.432 2.691 4.948 1.00 0.00 C ATOM 874 O VAL A 122 3.823 3.053 3.942 1.00 0.00 O ATOM 875 CB VAL A 122 3.404 2.021 7.121 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.965 2.485 8.501 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.235 1.421 6.355 1.00 0.00 C ATOM 0 H VAL A 122 2.546 4.329 5.377 1.00 0.00 H new ATOM 0 HA VAL A 122 4.907 3.547 6.859 1.00 0.00 H new ATOM 0 HB VAL A 122 4.162 1.248 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.529 1.647 9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.828 2.864 9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.223 3.277 8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.809 0.598 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.474 2.185 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.584 1.050 5.391 1.00 0.00 H new ATOM 887 N ASN A 123 5.467 1.858 4.907 1.00 0.00 N ATOM 888 CA ASN A 123 5.958 1.310 3.647 1.00 0.00 C ATOM 889 C ASN A 123 5.871 -0.213 3.646 1.00 0.00 C ATOM 890 O ASN A 123 6.429 -0.878 4.519 1.00 0.00 O ATOM 891 CB ASN A 123 7.403 1.750 3.404 1.00 0.00 C ATOM 892 CG ASN A 123 7.499 3.191 2.942 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.500 3.799 2.556 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.705 3.745 2.979 1.00 0.00 N ATOM 0 H ASN A 123 5.982 1.548 5.731 1.00 0.00 H new ATOM 0 HA ASN A 123 5.329 1.693 2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.977 1.627 4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.857 1.100 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.831 4.712 2.680 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.505 3.204 3.306 1.00 0.00 H new ATOM 901 N VAL A 124 5.168 -0.759 2.659 1.00 0.00 N ATOM 902 CA VAL A 124 5.009 -2.204 2.543 1.00 0.00 C ATOM 903 C VAL A 124 6.002 -2.787 1.544 1.00 0.00 C ATOM 904 O VAL A 124 6.200 -2.242 0.457 1.00 0.00 O ATOM 905 CB VAL A 124 3.580 -2.578 2.108 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.466 -4.078 1.881 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.568 -2.109 3.142 1.00 0.00 C ATOM 0 H VAL A 124 4.700 -0.223 1.928 1.00 0.00 H new ATOM 0 HA VAL A 124 5.202 -2.624 3.530 1.00 0.00 H new ATOM 0 HB VAL A 124 3.363 -2.074 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.449 -4.323 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.164 -4.382 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.703 -4.605 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.564 -2.382 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.781 -2.582 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.633 -1.026 3.250 1.00 0.00 H new ATOM 917 N THR A 125 6.625 -3.901 1.918 1.00 0.00 N ATOM 918 CA THR A 125 7.598 -4.558 1.055 1.00 0.00 C ATOM 919 C THR A 125 7.257 -6.032 0.865 1.00 0.00 C ATOM 920 O THR A 125 7.558 -6.864 1.721 1.00 0.00 O ATOM 921 CB THR A 125 9.024 -4.443 1.626 1.00 0.00 C ATOM 922 OG1 THR A 125 9.227 -3.135 2.174 1.00 0.00 O ATOM 923 CG2 THR A 125 10.062 -4.714 0.548 1.00 0.00 C ATOM 0 H THR A 125 6.473 -4.366 2.813 1.00 0.00 H new ATOM 0 HA THR A 125 7.558 -4.051 0.091 1.00 0.00 H new ATOM 0 HB THR A 125 9.139 -5.188 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.135 -3.070 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.061 -4.627 0.975 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.922 -5.720 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.947 -3.989 -0.258 1.00 0.00 H new ATOM 931 N TYR A 126 6.628 -6.348 -0.261 1.00 0.00 N ATOM 932 CA TYR A 126 6.244 -7.722 -0.563 1.00 0.00 C ATOM 933 C TYR A 126 7.419 -8.499 -1.150 1.00 0.00 C ATOM 934 O TYR A 126 8.459 -7.925 -1.472 1.00 0.00 O ATOM 935 CB TYR A 126 5.066 -7.743 -1.538 1.00 0.00 C ATOM 936 CG TYR A 126 3.752 -7.339 -0.909 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.104 -8.176 -0.009 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.159 -6.120 -1.213 1.00 0.00 C ATOM 939 CE1 TYR A 126 1.902 -7.811 0.568 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.959 -5.746 -0.640 1.00 0.00 C ATOM 941 CZ TYR A 126 1.334 -6.595 0.249 1.00 0.00 C ATOM 942 OH TYR A 126 0.139 -6.228 0.823 1.00 0.00 O ATOM 0 H TYR A 126 6.373 -5.671 -0.980 1.00 0.00 H new ATOM 0 HA TYR A 126 5.943 -8.201 0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.282 -7.073 -2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.967 -8.746 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.547 -9.128 0.244 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.645 -5.453 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.410 -8.474 1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.513 -4.794 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.212 -6.974 1.353 1.00 0.00 H new ATOM 952 N SER A 127 7.243 -9.810 -1.287 1.00 0.00 N ATOM 953 CA SER A 127 8.288 -10.668 -1.832 1.00 0.00 C ATOM 954 C SER A 127 8.208 -10.721 -3.355 1.00 0.00 C ATOM 955 O SER A 127 9.215 -10.566 -4.046 1.00 0.00 O ATOM 956 CB SER A 127 8.171 -12.080 -1.254 1.00 0.00 C ATOM 957 OG SER A 127 9.165 -12.935 -1.793 1.00 0.00 O ATOM 0 H SER A 127 6.387 -10.300 -1.028 1.00 0.00 H new ATOM 0 HA SER A 127 9.253 -10.247 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.269 -12.042 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.182 -12.484 -1.471 1.00 0.00 H new ATOM 0 HG SER A 127 9.070 -13.831 -1.407 1.00 0.00 H new ATOM 963 N SER A 128 7.003 -10.942 -3.870 1.00 0.00 N ATOM 964 CA SER A 128 6.790 -11.019 -5.311 1.00 0.00 C ATOM 965 C SER A 128 6.190 -9.721 -5.842 1.00 0.00 C ATOM 966 O SER A 128 5.445 -9.035 -5.142 1.00 0.00 O ATOM 967 CB SER A 128 5.872 -12.195 -5.649 1.00 0.00 C ATOM 968 OG SER A 128 5.749 -12.359 -7.051 1.00 0.00 O ATOM 0 H SER A 128 6.159 -11.071 -3.311 1.00 0.00 H new ATOM 0 HA SER A 128 7.757 -11.173 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.268 -13.109 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.888 -12.030 -5.211 1.00 0.00 H new ATOM 0 HG SER A 128 5.159 -13.118 -7.241 1.00 0.00 H new ATOM 974 N LYS A 129 6.520 -9.390 -7.086 1.00 0.00 N ATOM 975 CA LYS A 129 6.014 -8.175 -7.714 1.00 0.00 C ATOM 976 C LYS A 129 4.497 -8.231 -7.864 1.00 0.00 C ATOM 977 O LYS A 129 3.787 -7.330 -7.419 1.00 0.00 O ATOM 978 CB LYS A 129 6.666 -7.977 -9.085 1.00 0.00 C ATOM 979 CG LYS A 129 6.259 -6.683 -9.769 1.00 0.00 C ATOM 980 CD LYS A 129 4.975 -6.853 -10.564 1.00 0.00 C ATOM 981 CE LYS A 129 4.633 -5.594 -11.347 1.00 0.00 C ATOM 982 NZ LYS A 129 3.533 -5.829 -12.322 1.00 0.00 N ATOM 0 H LYS A 129 7.136 -9.946 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 129 6.267 -7.331 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.750 -7.992 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.403 -8.817 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.124 -5.902 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.058 -6.354 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.080 -7.693 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.156 -7.095 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 129 4.342 -4.804 -10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 129 5.519 -5.244 -11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.330 -4.948 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.820 -6.565 -12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.680 -6.139 -11.815 1.00 0.00 H new ATOM 996 N ASP A 130 4.008 -9.296 -8.490 1.00 0.00 N ATOM 997 CA ASP A 130 2.575 -9.471 -8.695 1.00 0.00 C ATOM 998 C ASP A 130 1.807 -9.228 -7.400 1.00 0.00 C ATOM 999 O ASP A 130 0.934 -8.363 -7.339 1.00 0.00 O ATOM 1000 CB ASP A 130 2.281 -10.876 -9.221 1.00 0.00 C ATOM 1001 CG ASP A 130 0.840 -11.040 -9.663 1.00 0.00 C ATOM 1002 OD1 ASP A 130 0.402 -10.280 -10.552 1.00 0.00 O ATOM 1003 OD2 ASP A 130 0.151 -11.928 -9.121 1.00 0.00 O ATOM 0 H ASP A 130 4.583 -10.051 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 130 2.247 -8.739 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.942 -11.092 -10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.505 -11.606 -8.443 1.00 0.00 H new ATOM 1008 N GLN A 131 2.138 -9.997 -6.368 1.00 0.00 N ATOM 1009 CA GLN A 131 1.478 -9.866 -5.075 1.00 0.00 C ATOM 1010 C GLN A 131 1.383 -8.402 -4.658 1.00 0.00 C ATOM 1011 O GLN A 131 0.398 -7.982 -4.051 1.00 0.00 O ATOM 1012 CB GLN A 131 2.232 -10.665 -4.010 1.00 0.00 C ATOM 1013 CG GLN A 131 1.790 -12.116 -3.911 1.00 0.00 C ATOM 1014 CD GLN A 131 2.539 -12.883 -2.840 1.00 0.00 C ATOM 1015 OE1 GLN A 131 1.946 -13.639 -2.071 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.852 -12.691 -2.784 1.00 0.00 N ATOM 0 H GLN A 131 2.859 -10.717 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 131 0.468 -10.264 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.299 -10.633 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.093 -10.185 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.722 -12.152 -3.698 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.940 -12.604 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.303 -12.055 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.409 -13.180 -2.083 1.00 0.00 H new ATOM 1025 N ALA A 132 2.414 -7.631 -4.987 1.00 0.00 N ATOM 1026 CA ALA A 132 2.446 -6.214 -4.647 1.00 0.00 C ATOM 1027 C ALA A 132 1.466 -5.421 -5.506 1.00 0.00 C ATOM 1028 O ALA A 132 0.805 -4.503 -5.022 1.00 0.00 O ATOM 1029 CB ALA A 132 3.856 -5.664 -4.809 1.00 0.00 C ATOM 0 H ALA A 132 3.238 -7.964 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 132 2.144 -6.109 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.865 -4.605 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.535 -6.204 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.179 -5.789 -5.843 1.00 0.00 H new ATOM 1035 N ARG A 133 1.379 -5.782 -6.782 1.00 0.00 N ATOM 1036 CA ARG A 133 0.481 -5.103 -7.708 1.00 0.00 C ATOM 1037 C ARG A 133 -0.938 -5.050 -7.149 1.00 0.00 C ATOM 1038 O ARG A 133 -1.565 -3.991 -7.124 1.00 0.00 O ATOM 1039 CB ARG A 133 0.479 -5.813 -9.063 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.552 -5.265 -10.037 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.135 -5.499 -11.480 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.220 -5.216 -12.416 1.00 0.00 N ATOM 1043 CZ ARG A 133 -2.299 -5.980 -12.542 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -2.437 -7.067 -11.796 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -3.244 -5.656 -13.416 1.00 0.00 N ATOM 0 H ARG A 133 1.919 -6.541 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 133 0.840 -4.082 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.470 -5.728 -9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.290 -6.875 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.516 -5.740 -9.854 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.686 -4.197 -9.864 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.722 -4.868 -11.717 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.188 -6.533 -11.601 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.145 -4.387 -13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -1.713 -7.319 -11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -3.267 -7.652 -11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.142 -4.820 -13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -4.072 -6.243 -13.512 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.436 -6.198 -6.702 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.781 -6.281 -6.144 1.00 0.00 C ATOM 1061 C GLN A 134 -2.920 -5.381 -4.921 1.00 0.00 C ATOM 1062 O GLN A 134 -3.720 -4.446 -4.913 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.112 -7.726 -5.769 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.598 -7.980 -5.577 1.00 0.00 C ATOM 1065 CD GLN A 134 -4.920 -9.450 -5.391 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.383 -10.107 -4.499 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.802 -9.974 -6.234 1.00 0.00 N ATOM 0 H GLN A 134 -0.929 -7.083 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.484 -5.940 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.736 -8.390 -6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.586 -7.983 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.949 -7.423 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.142 -7.599 -6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.223 -9.392 -6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.059 -10.958 -6.157 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.135 -5.670 -3.888 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.169 -4.886 -2.659 1.00 0.00 C ATOM 1078 C ALA A 135 -2.419 -3.411 -2.956 1.00 0.00 C ATOM 1079 O ALA A 135 -3.322 -2.797 -2.387 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.870 -5.058 -1.887 1.00 0.00 C ATOM 0 H ALA A 135 -1.468 -6.441 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.993 -5.251 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.910 -4.467 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.733 -6.109 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.035 -4.721 -2.501 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.613 -2.848 -3.849 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.746 -1.444 -4.222 1.00 0.00 C ATOM 1088 C LEU A 136 -3.007 -1.217 -5.049 1.00 0.00 C ATOM 1089 O LEU A 136 -3.807 -0.331 -4.749 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.517 -0.986 -5.009 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.639 0.362 -5.720 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.738 0.927 -6.034 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.463 0.221 -6.992 1.00 0.00 C ATOM 0 H LEU A 136 -0.860 -3.342 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.823 -0.857 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.330 -0.938 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.283 -1.747 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.151 1.057 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.631 1.887 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.294 1.066 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.277 0.234 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.540 1.190 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -0.979 -0.490 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.461 -0.138 -6.741 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.179 -2.024 -6.090 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.345 -1.914 -6.958 1.00 0.00 C ATOM 1107 C ASP A 137 -5.620 -1.749 -6.138 1.00 0.00 C ATOM 1108 O ASP A 137 -6.630 -1.249 -6.634 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.457 -3.147 -7.856 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.667 -3.002 -9.142 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.687 -2.229 -9.151 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.030 -3.660 -10.139 1.00 0.00 O ATOM 0 H ASP A 137 -2.526 -2.762 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.220 -1.029 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.102 -4.022 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.506 -3.324 -8.095 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.567 -2.173 -4.880 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.718 -2.072 -3.989 1.00 0.00 C ATOM 1119 C LYS A 138 -6.486 -1.011 -2.919 1.00 0.00 C ATOM 1120 O LYS A 138 -7.203 -0.012 -2.855 1.00 0.00 O ATOM 1121 CB LYS A 138 -6.997 -3.424 -3.330 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.417 -4.505 -4.311 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.813 -4.252 -4.855 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.880 -4.854 -3.953 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.036 -6.318 -4.180 1.00 0.00 N ATOM 0 H LYS A 138 -4.739 -2.590 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.583 -1.779 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.102 -3.753 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.781 -3.299 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.706 -4.545 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.388 -5.477 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.979 -3.179 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.898 -4.678 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.618 -4.674 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -10.832 -4.355 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.772 -6.691 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.311 -6.489 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -9.134 -6.798 -3.983 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.479 -1.232 -2.081 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.151 -0.293 -1.014 1.00 0.00 C ATOM 1141 C LEU A 139 -5.102 1.137 -1.542 1.00 0.00 C ATOM 1142 O LEU A 139 -5.559 2.069 -0.882 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.809 -0.660 -0.379 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.758 -1.999 0.359 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.321 -2.471 0.510 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.430 -1.883 1.719 1.00 0.00 C ATOM 0 H LEU A 139 -4.875 -2.053 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 139 -5.933 -0.355 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.050 -0.670 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.534 0.129 0.321 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.300 -2.738 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.305 -3.425 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.873 -2.594 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.753 -1.733 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.385 -2.845 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.916 -1.130 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.472 -1.591 1.586 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.548 1.302 -2.739 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.441 2.618 -3.357 1.00 0.00 C ATOM 1160 C ASN A 140 -5.733 3.409 -3.180 1.00 0.00 C ATOM 1161 O ASN A 140 -5.719 4.638 -3.125 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.115 2.480 -4.846 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.496 3.716 -5.638 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.664 4.102 -5.684 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.509 4.343 -6.267 1.00 0.00 N ATOM 0 H ASN A 140 -4.166 0.540 -3.300 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.634 3.159 -2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.048 2.290 -4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.641 1.616 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.705 5.180 -6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.555 3.988 -6.201 1.00 0.00 H new ATOM 1172 N GLY A 141 -6.851 2.694 -3.090 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.136 3.345 -2.919 1.00 0.00 C ATOM 1174 C GLY A 141 -9.023 2.625 -1.922 1.00 0.00 C ATOM 1175 O GLY A 141 -10.239 2.819 -1.908 1.00 0.00 O ATOM 0 H GLY A 141 -6.889 1.676 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.979 4.371 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.644 3.397 -3.882 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.414 1.791 -1.086 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.157 1.037 -0.082 1.00 0.00 C ATOM 1181 C PHE A 142 -9.692 1.962 1.007 1.00 0.00 C ATOM 1182 O PHE A 142 -8.926 2.522 1.790 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.266 -0.040 0.540 1.00 0.00 C ATOM 1184 CG PHE A 142 -8.975 -0.895 1.550 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.402 -0.358 2.754 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.216 -2.236 1.296 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.055 -1.144 3.686 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.869 -3.026 2.223 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.290 -2.478 3.419 1.00 0.00 C ATOM 0 H PHE A 142 -7.408 1.620 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.003 0.558 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -7.874 -0.678 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.411 0.438 1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.223 0.686 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -8.889 -2.669 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.381 -0.715 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.050 -4.070 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.802 -3.092 4.144 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.011 2.116 1.048 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.649 2.974 2.040 1.00 0.00 C ATOM 1201 C GLN A 143 -11.690 2.293 3.403 1.00 0.00 C ATOM 1202 O GLN A 143 -12.216 1.188 3.541 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.067 3.337 1.595 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.544 4.681 2.121 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.981 4.980 1.739 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.331 4.998 0.559 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.822 5.216 2.739 1.00 0.00 N ATOM 0 H GLN A 143 -11.659 1.658 0.407 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.059 3.886 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.105 3.348 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.754 2.560 1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.450 4.696 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.898 5.469 1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.488 5.191 3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.802 5.423 2.544 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.131 2.958 4.408 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.104 2.416 5.763 1.00 0.00 C ATOM 1218 C LEU A 144 -11.357 3.512 6.793 1.00 0.00 C ATOM 1219 O LEU A 144 -10.646 4.515 6.833 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.757 1.744 6.037 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.734 0.729 7.180 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.550 -0.214 7.032 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.686 1.441 8.524 1.00 0.00 C ATOM 0 H LEU A 144 -10.690 3.873 4.311 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.898 1.674 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.432 1.242 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.023 2.521 6.253 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.650 0.139 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.550 -0.929 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.627 -0.749 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.623 0.360 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.670 0.703 9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.787 2.055 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.566 2.075 8.632 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.374 3.310 7.626 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.719 4.282 8.657 1.00 0.00 C ATOM 1237 C GLU A 145 -12.858 5.680 8.063 1.00 0.00 C ATOM 1238 O GLU A 145 -12.355 6.655 8.620 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.659 4.287 9.760 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.731 3.079 10.680 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.263 3.390 12.088 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -11.783 4.356 12.686 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.378 2.668 12.592 1.00 0.00 O ATOM 0 H GLU A 145 -12.972 2.484 7.607 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.678 3.992 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.671 4.326 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.770 5.193 10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.757 2.714 10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.121 2.276 10.267 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.544 5.769 6.928 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.748 7.048 6.257 1.00 0.00 C ATOM 1252 C ASN A 146 -12.415 7.668 5.851 1.00 0.00 C ATOM 1253 O ASN A 146 -12.213 8.876 5.983 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.514 8.009 7.168 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.872 7.466 7.570 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -16.167 6.289 7.365 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.705 8.325 8.145 1.00 0.00 N ATOM 0 H ASN A 146 -13.968 4.971 6.454 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.334 6.868 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.924 8.204 8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.644 8.963 6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.633 8.018 8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.417 9.292 8.295 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.506 6.834 5.355 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.192 7.300 4.930 1.00 0.00 C ATOM 1266 C PHE A 147 -9.685 6.488 3.741 1.00 0.00 C ATOM 1267 O PHE A 147 -9.272 5.337 3.891 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.195 7.207 6.087 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.257 8.376 7.027 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.753 9.611 6.652 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.819 8.241 8.287 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.809 10.690 7.514 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.878 9.316 9.153 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.371 10.542 8.767 1.00 0.00 C ATOM 0 H PHE A 147 -11.656 5.832 5.238 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.286 8.342 4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.384 6.291 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.186 7.130 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.311 9.732 5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.215 7.285 8.595 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.414 11.647 7.208 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.320 9.198 10.131 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.414 11.383 9.444 1.00 0.00 H new ATOM 1284 N THR A 148 -9.721 7.095 2.559 1.00 0.00 N ATOM 1285 CA THR A 148 -9.268 6.430 1.344 1.00 0.00 C ATOM 1286 C THR A 148 -7.760 6.208 1.368 1.00 0.00 C ATOM 1287 O THR A 148 -6.982 7.139 1.156 1.00 0.00 O ATOM 1288 CB THR A 148 -9.636 7.242 0.088 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.014 7.627 0.140 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.378 6.433 -1.174 1.00 0.00 C ATOM 0 H THR A 148 -10.059 8.047 2.417 1.00 0.00 H new ATOM 0 HA THR A 148 -9.774 5.465 1.305 1.00 0.00 H new ATOM 0 HB THR A 148 -9.010 8.134 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.240 8.144 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.645 7.027 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.322 6.166 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.981 5.525 -1.154 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.353 4.970 1.627 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.936 4.625 1.678 1.00 0.00 C ATOM 1300 C LEU A 149 -5.260 4.905 0.340 1.00 0.00 C ATOM 1301 O LEU A 149 -5.723 4.456 -0.709 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.763 3.153 2.052 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.404 2.715 3.369 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.362 1.201 3.506 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.709 3.379 4.548 1.00 0.00 C ATOM 0 H LEU A 149 -7.984 4.188 1.805 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.463 5.245 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.178 2.544 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.696 2.934 2.100 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.448 3.030 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.823 0.908 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.907 0.746 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.326 0.863 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.179 3.055 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.656 3.096 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.793 4.462 4.457 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.159 5.648 0.383 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.414 5.985 -0.825 1.00 0.00 C ATOM 1319 C LYS A 150 -2.132 5.165 -0.920 1.00 0.00 C ATOM 1320 O LYS A 150 -1.374 5.065 0.045 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.080 7.478 -0.842 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.306 8.376 -0.831 1.00 0.00 C ATOM 1323 CD LYS A 150 -3.921 9.845 -0.832 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.143 10.742 -0.954 1.00 0.00 C ATOM 1325 NZ LYS A 150 -4.776 12.130 -1.349 1.00 0.00 N ATOM 0 H LYS A 150 -3.762 6.029 1.242 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.039 5.749 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.460 7.713 0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.486 7.699 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.924 8.160 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.910 8.158 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.385 10.082 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.239 10.043 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.828 10.324 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.674 10.764 -0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.637 12.709 -1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.143 12.539 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.292 12.113 -2.269 1.00 0.00 H new ATOM 1339 N VAL A 151 -1.893 4.581 -2.090 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.701 3.772 -2.312 1.00 0.00 C ATOM 1341 C VAL A 151 0.014 4.187 -3.593 1.00 0.00 C ATOM 1342 O VAL A 151 -0.624 4.498 -4.599 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.046 2.273 -2.391 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.212 1.446 -2.612 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -1.773 1.827 -1.132 1.00 0.00 C ATOM 0 H VAL A 151 -2.510 4.653 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.041 3.940 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.709 2.115 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.052 0.390 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.687 1.749 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.903 1.606 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.009 0.765 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.136 1.998 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.696 2.397 -1.023 1.00 0.00 H new ATOM 1355 N ALA A 152 1.342 4.188 -3.549 1.00 0.00 N ATOM 1356 CA ALA A 152 2.144 4.562 -4.708 1.00 0.00 C ATOM 1357 C ALA A 152 3.477 3.821 -4.715 1.00 0.00 C ATOM 1358 O ALA A 152 4.086 3.610 -3.666 1.00 0.00 O ATOM 1359 CB ALA A 152 2.374 6.066 -4.728 1.00 0.00 C ATOM 0 H ALA A 152 1.885 3.934 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 152 1.595 4.278 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.974 6.331 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.414 6.580 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.899 6.366 -3.821 1.00 0.00 H new ATOM 1365 N TYR A 153 3.925 3.430 -5.902 1.00 0.00 N ATOM 1366 CA TYR A 153 5.185 2.710 -6.045 1.00 0.00 C ATOM 1367 C TYR A 153 6.368 3.610 -5.706 1.00 0.00 C ATOM 1368 O TYR A 153 6.724 4.502 -6.476 1.00 0.00 O ATOM 1369 CB TYR A 153 5.330 2.172 -7.469 1.00 0.00 C ATOM 1370 CG TYR A 153 4.684 0.821 -7.675 1.00 0.00 C ATOM 1371 CD1 TYR A 153 5.284 -0.339 -7.200 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.472 0.704 -8.345 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.697 -1.575 -7.387 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.877 -0.528 -8.535 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.493 -1.665 -8.055 1.00 0.00 C ATOM 1376 OH TYR A 153 2.904 -2.894 -8.242 1.00 0.00 O ATOM 0 H TYR A 153 3.434 3.599 -6.780 1.00 0.00 H new ATOM 0 HA TYR A 153 5.177 1.873 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.889 2.886 -8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.389 2.100 -7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 153 6.226 -0.273 -6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.987 1.592 -8.724 1.00 0.00 H new ATOM 0 HE1 TYR A 153 5.178 -2.467 -7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.934 -0.601 -9.057 1.00 0.00 H new ATOM 0 HH TYR A 153 3.148 -3.489 -7.503 1.00 0.00 H new ATOM 1386 N ILE A 154 6.974 3.370 -4.547 1.00 0.00 N ATOM 1387 CA ILE A 154 8.118 4.157 -4.106 1.00 0.00 C ATOM 1388 C ILE A 154 9.243 4.116 -5.135 1.00 0.00 C ATOM 1389 O ILE A 154 9.552 3.073 -5.712 1.00 0.00 O ATOM 1390 CB ILE A 154 8.657 3.658 -2.752 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.563 3.731 -1.685 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.870 4.474 -2.332 1.00 0.00 C ATOM 1393 CD1 ILE A 154 8.032 3.315 -0.309 1.00 0.00 C ATOM 0 H ILE A 154 6.691 2.637 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 154 7.770 5.184 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 154 8.963 2.618 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.181 4.751 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.731 3.093 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.240 4.110 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.653 4.375 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.588 5.523 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 154 7.204 3.392 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.387 2.285 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.844 3.968 0.012 1.00 0.00 H new