USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 LYS NZ :NH3+ -169:sc=-0.00574 (180deg=-0.0944) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0.168 USER MOD Set 2.1: A 84 GLN : amide:sc= -2.63! C(o=-6!,f=-9.5!) USER MOD Set 2.2: A 123 ASN : amide:sc= -3.37! C(o=-6!,f=-11!) USER MOD Set 3.1: A 117 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 119 THR OG1 : rot -150:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.6) USER MOD Single : A 91 HIS : no HE2:sc= 0.952 K(o=0.95,f=-4.4!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 114 ASN : amide:sc= -0.0608 K(o=-0.061,f=-1.6!) USER MOD Single : A 115 THR OG1 : rot -49:sc= 0.519 USER MOD Single : A 126 TYR OH : rot -8:sc= 0.737 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 :FLIP amide:sc= -2.66! C(o=-5.9!,f=-2.7!) USER MOD Single : A 134 GLN : amide:sc= -3.25 K(o=-3.3,f=-10!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -1.18! C(o=-1.2!,f=-4.3!) USER MOD Single : A 143 GLN : amide:sc= -0.0362 K(o=-0.036,f=-1.5!) USER MOD Single : A 146 ASN : amide:sc= -0.263 K(o=-0.26,f=-3.7!) 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 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.492 -1.133 -3.630 1.00 0.00 N ATOM 238 CA LYS A 82 8.868 -0.736 -2.373 1.00 0.00 C ATOM 239 C LYS A 82 7.548 -0.015 -2.625 1.00 0.00 C ATOM 240 O LYS A 82 7.351 0.592 -3.679 1.00 0.00 O ATOM 241 CB LYS A 82 9.811 0.168 -1.576 1.00 0.00 C ATOM 242 CG LYS A 82 9.643 0.046 -0.071 1.00 0.00 C ATOM 243 CD LYS A 82 10.906 0.457 0.667 1.00 0.00 C ATOM 244 CE LYS A 82 10.598 0.922 2.082 1.00 0.00 C ATOM 245 NZ LYS A 82 10.479 -0.222 3.028 1.00 0.00 N ATOM 0 HA LYS A 82 8.664 -1.638 -1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.841 -0.074 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.642 1.204 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.811 0.670 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.389 -0.983 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.598 -0.384 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.404 1.258 0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.385 1.595 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.669 1.492 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.089 0.114 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.847 -0.942 2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.418 -0.638 3.190 1.00 0.00 H new ATOM 259 N LEU A 83 6.646 -0.085 -1.652 1.00 0.00 N ATOM 260 CA LEU A 83 5.344 0.563 -1.768 1.00 0.00 C ATOM 261 C LEU A 83 5.090 1.490 -0.583 1.00 0.00 C ATOM 262 O LEU A 83 5.499 1.201 0.541 1.00 0.00 O ATOM 263 CB LEU A 83 4.236 -0.488 -1.855 1.00 0.00 C ATOM 264 CG LEU A 83 4.131 -1.245 -3.179 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.368 -2.546 -2.991 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.461 -0.379 -4.236 1.00 0.00 C ATOM 0 H LEU A 83 6.792 -0.584 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 83 5.342 1.160 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.388 -1.214 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.282 0.003 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 83 5.138 -1.485 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.303 -3.071 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.889 -3.172 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.364 -2.329 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.395 -0.934 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.459 -0.108 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.049 0.526 -4.391 1.00 0.00 H new ATOM 278 N GLN A 84 4.412 2.603 -0.844 1.00 0.00 N ATOM 279 CA GLN A 84 4.102 3.571 0.201 1.00 0.00 C ATOM 280 C GLN A 84 2.595 3.692 0.401 1.00 0.00 C ATOM 281 O GLN A 84 1.845 3.879 -0.557 1.00 0.00 O ATOM 282 CB GLN A 84 4.693 4.937 -0.149 1.00 0.00 C ATOM 283 CG GLN A 84 4.336 6.028 0.848 1.00 0.00 C ATOM 284 CD GLN A 84 5.373 7.132 0.902 1.00 0.00 C ATOM 285 OE1 GLN A 84 5.282 8.122 0.175 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.368 6.968 1.766 1.00 0.00 N ATOM 0 H GLN A 84 4.067 2.857 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 84 4.546 3.218 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.778 4.850 -0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.344 5.232 -1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.369 6.456 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.228 5.588 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.404 6.132 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.096 7.678 1.846 1.00 0.00 H new ATOM 295 N ILE A 85 2.158 3.585 1.652 1.00 0.00 N ATOM 296 CA ILE A 85 0.741 3.683 1.977 1.00 0.00 C ATOM 297 C ILE A 85 0.464 4.887 2.871 1.00 0.00 C ATOM 298 O ILE A 85 1.147 5.099 3.873 1.00 0.00 O ATOM 299 CB ILE A 85 0.234 2.409 2.679 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.442 1.189 1.780 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.233 2.557 3.050 1.00 0.00 C ATOM 302 CD1 ILE A 85 -0.108 -0.093 2.366 1.00 0.00 C ATOM 0 H ILE A 85 2.766 3.430 2.457 1.00 0.00 H new ATOM 0 HA ILE A 85 0.209 3.804 1.033 1.00 0.00 H new ATOM 0 HB ILE A 85 0.807 2.264 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.034 1.372 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.508 1.065 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.577 1.649 3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.354 3.405 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.822 2.723 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.074 -0.916 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.385 -0.300 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.180 0.012 2.530 1.00 0.00 H new ATOM 314 N ARG A 86 -0.543 5.672 2.502 1.00 0.00 N ATOM 315 CA ARG A 86 -0.910 6.855 3.271 1.00 0.00 C ATOM 316 C ARG A 86 -2.424 6.944 3.441 1.00 0.00 C ATOM 317 O ARG A 86 -3.160 6.054 3.017 1.00 0.00 O ATOM 318 CB ARG A 86 -0.388 8.118 2.585 1.00 0.00 C ATOM 319 CG ARG A 86 1.129 8.197 2.527 1.00 0.00 C ATOM 320 CD ARG A 86 1.597 9.081 1.381 1.00 0.00 C ATOM 321 NE ARG A 86 2.905 9.673 1.647 1.00 0.00 N ATOM 322 CZ ARG A 86 3.702 10.152 0.698 1.00 0.00 C ATOM 323 NH1 ARG A 86 3.325 10.109 -0.573 1.00 0.00 N ATOM 324 NH2 ARG A 86 4.878 10.676 1.018 1.00 0.00 N ATOM 0 H ARG A 86 -1.119 5.510 1.676 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.455 6.772 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.785 8.161 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.769 8.992 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.510 8.589 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.542 7.196 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.645 8.492 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.868 9.873 1.213 1.00 0.00 H new ATOM 0 HE ARG A 86 3.224 9.721 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.421 9.708 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.939 10.477 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.172 10.712 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.488 11.043 0.288 1.00 0.00 H new ATOM 338 N ASN A 87 -2.882 8.025 4.064 1.00 0.00 N ATOM 339 CA ASN A 87 -4.308 8.230 4.291 1.00 0.00 C ATOM 340 C ASN A 87 -4.871 7.156 5.218 1.00 0.00 C ATOM 341 O ASN A 87 -6.031 6.762 5.094 1.00 0.00 O ATOM 342 CB ASN A 87 -5.064 8.219 2.961 1.00 0.00 C ATOM 343 CG ASN A 87 -5.191 9.605 2.358 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.213 10.347 2.268 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.401 9.959 1.941 1.00 0.00 N ATOM 0 H ASN A 87 -2.286 8.772 4.421 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.439 9.202 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.548 7.565 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.058 7.800 3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.548 10.879 1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.183 9.311 2.036 1.00 0.00 H new ATOM 352 N ILE A 88 -4.043 6.688 6.145 1.00 0.00 N ATOM 353 CA ILE A 88 -4.459 5.662 7.093 1.00 0.00 C ATOM 354 C ILE A 88 -5.029 6.285 8.362 1.00 0.00 C ATOM 355 O ILE A 88 -4.461 7.216 8.936 1.00 0.00 O ATOM 356 CB ILE A 88 -3.287 4.736 7.470 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.726 4.053 6.222 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.737 3.701 8.490 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.293 3.595 6.376 1.00 0.00 C ATOM 0 H ILE A 88 -3.080 7.003 6.260 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.233 5.073 6.601 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.497 5.339 7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.349 3.193 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.790 4.743 5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.898 3.054 8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.093 4.206 9.388 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.542 3.100 8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.962 3.120 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.657 4.454 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.226 2.880 7.196 1.00 0.00 H new ATOM 371 N PRO A 89 -6.177 5.761 8.815 1.00 0.00 N ATOM 372 CA PRO A 89 -6.849 6.249 10.023 1.00 0.00 C ATOM 373 C PRO A 89 -6.078 5.905 11.293 1.00 0.00 C ATOM 374 O PRO A 89 -5.729 4.751 11.543 1.00 0.00 O ATOM 375 CB PRO A 89 -8.194 5.519 10.000 1.00 0.00 C ATOM 376 CG PRO A 89 -7.941 4.282 9.211 1.00 0.00 C ATOM 377 CD PRO A 89 -6.909 4.651 8.181 1.00 0.00 C ATOM 0 HA PRO A 89 -6.938 7.335 10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.533 5.283 11.009 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.969 6.131 9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.582 3.477 9.852 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.856 3.928 8.737 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.250 3.813 7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.370 4.958 7.242 1.00 0.00 H new ATOM 385 N PRO A 90 -5.805 6.929 12.116 1.00 0.00 N ATOM 386 CA PRO A 90 -5.074 6.759 13.375 1.00 0.00 C ATOM 387 C PRO A 90 -5.888 6.007 14.422 1.00 0.00 C ATOM 388 O PRO A 90 -5.425 5.785 15.541 1.00 0.00 O ATOM 389 CB PRO A 90 -4.815 8.197 13.831 1.00 0.00 C ATOM 390 CG PRO A 90 -5.900 8.997 13.197 1.00 0.00 C ATOM 391 CD PRO A 90 -6.191 8.331 11.881 1.00 0.00 C ATOM 0 HA PRO A 90 -4.167 6.169 13.243 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.846 8.279 14.917 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.831 8.542 13.513 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.788 9.019 13.828 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.588 10.031 13.050 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.243 8.418 11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.615 8.776 11.069 1.00 0.00 H new ATOM 399 N HIS A 91 -7.103 5.615 14.051 1.00 0.00 N ATOM 400 CA HIS A 91 -7.982 4.886 14.958 1.00 0.00 C ATOM 401 C HIS A 91 -7.764 3.381 14.833 1.00 0.00 C ATOM 402 O HIS A 91 -7.658 2.673 15.836 1.00 0.00 O ATOM 403 CB HIS A 91 -9.444 5.227 14.670 1.00 0.00 C ATOM 404 CG HIS A 91 -9.672 6.674 14.360 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.578 7.108 13.416 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.106 7.790 14.876 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.559 8.428 13.363 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.674 8.867 14.240 1.00 0.00 N ATOM 0 H HIS A 91 -7.501 5.790 13.128 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.741 5.187 15.978 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.790 4.625 13.830 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.050 4.949 15.532 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.171 6.504 12.847 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.349 7.827 15.645 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.164 9.043 12.713 1.00 0.00 H new ATOM 416 N LEU A 92 -7.698 2.899 13.598 1.00 0.00 N ATOM 417 CA LEU A 92 -7.493 1.477 13.341 1.00 0.00 C ATOM 418 C LEU A 92 -6.308 0.945 14.140 1.00 0.00 C ATOM 419 O LEU A 92 -5.358 1.676 14.420 1.00 0.00 O ATOM 420 CB LEU A 92 -7.266 1.236 11.848 1.00 0.00 C ATOM 421 CG LEU A 92 -6.543 -0.061 11.480 1.00 0.00 C ATOM 422 CD1 LEU A 92 -6.965 -0.533 10.097 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.035 0.134 11.543 1.00 0.00 C ATOM 0 H LEU A 92 -7.783 3.471 12.758 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.389 0.943 13.656 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.234 1.243 11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.694 2.073 11.448 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.821 -0.828 12.203 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.441 -1.457 9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.040 -0.712 10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.717 0.231 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.536 -0.798 11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.740 0.915 10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.748 0.425 12.553 1.00 0.00 H new ATOM 435 N GLN A 93 -6.370 -0.332 14.502 1.00 0.00 N ATOM 436 CA GLN A 93 -5.301 -0.962 15.267 1.00 0.00 C ATOM 437 C GLN A 93 -4.304 -1.653 14.343 1.00 0.00 C ATOM 438 O GLN A 93 -4.690 -2.405 13.448 1.00 0.00 O ATOM 439 CB GLN A 93 -5.881 -1.974 16.257 1.00 0.00 C ATOM 440 CG GLN A 93 -6.811 -1.353 17.287 1.00 0.00 C ATOM 441 CD GLN A 93 -6.952 -2.203 18.534 1.00 0.00 C ATOM 442 OE1 GLN A 93 -6.669 -3.401 18.518 1.00 0.00 O ATOM 443 NE2 GLN A 93 -7.391 -1.586 19.625 1.00 0.00 N ATOM 0 H GLN A 93 -7.149 -0.951 14.278 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.777 -0.182 15.820 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.425 -2.740 15.704 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.062 -2.474 16.774 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.434 -0.368 17.564 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.794 -1.204 16.840 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.614 -0.591 19.593 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.505 -2.107 20.494 1.00 0.00 H new ATOM 452 N TRP A 94 -3.020 -1.391 14.564 1.00 0.00 N ATOM 453 CA TRP A 94 -1.967 -1.988 13.750 1.00 0.00 C ATOM 454 C TRP A 94 -2.242 -3.467 13.504 1.00 0.00 C ATOM 455 O TRP A 94 -2.187 -3.937 12.368 1.00 0.00 O ATOM 456 CB TRP A 94 -0.609 -1.814 14.431 1.00 0.00 C ATOM 457 CG TRP A 94 0.551 -2.023 13.504 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.128 -3.215 13.170 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.274 -1.012 12.794 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.167 -3.005 12.295 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.276 -1.662 12.048 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.170 0.380 12.714 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.168 -0.967 11.236 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.056 1.068 11.908 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.044 0.395 11.176 1.00 0.00 C ATOM 0 H TRP A 94 -2.683 -0.770 15.300 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.951 -1.477 12.787 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.549 -0.812 14.856 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.534 -2.517 15.260 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.814 -4.180 13.539 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.761 -3.731 11.895 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.411 0.908 13.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 3.931 -1.484 10.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 1.986 2.144 11.841 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.720 0.962 10.553 1.00 0.00 H new ATOM 476 N GLU A 95 -2.537 -4.196 14.576 1.00 0.00 N ATOM 477 CA GLU A 95 -2.819 -5.624 14.474 1.00 0.00 C ATOM 478 C GLU A 95 -3.673 -5.923 13.246 1.00 0.00 C ATOM 479 O GLU A 95 -3.428 -6.890 12.525 1.00 0.00 O ATOM 480 CB GLU A 95 -3.529 -6.117 15.736 1.00 0.00 C ATOM 481 CG GLU A 95 -4.898 -5.493 15.947 1.00 0.00 C ATOM 482 CD GLU A 95 -5.652 -6.119 17.105 1.00 0.00 C ATOM 483 OE1 GLU A 95 -5.122 -6.106 18.235 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.773 -6.621 16.879 1.00 0.00 O ATOM 0 H GLU A 95 -2.587 -3.822 15.524 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.870 -6.150 14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.637 -7.200 15.682 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.903 -5.902 16.602 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.782 -4.425 16.129 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.486 -5.599 15.035 1.00 0.00 H new ATOM 491 N VAL A 96 -4.680 -5.086 13.014 1.00 0.00 N ATOM 492 CA VAL A 96 -5.571 -5.259 11.874 1.00 0.00 C ATOM 493 C VAL A 96 -4.822 -5.082 10.558 1.00 0.00 C ATOM 494 O VAL A 96 -4.941 -5.903 9.648 1.00 0.00 O ATOM 495 CB VAL A 96 -6.744 -4.262 11.922 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.664 -4.462 10.727 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.513 -4.407 13.227 1.00 0.00 C ATOM 0 H VAL A 96 -4.898 -4.281 13.601 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.964 -6.274 11.931 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.341 -3.250 11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.487 -3.749 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.103 -4.304 9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.062 -5.477 10.740 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.338 -3.695 13.244 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.906 -5.420 13.307 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.846 -4.209 14.066 1.00 0.00 H new ATOM 507 N LEU A 97 -4.049 -4.006 10.464 1.00 0.00 N ATOM 508 CA LEU A 97 -3.278 -3.720 9.259 1.00 0.00 C ATOM 509 C LEU A 97 -2.445 -4.930 8.846 1.00 0.00 C ATOM 510 O LEU A 97 -2.619 -5.472 7.755 1.00 0.00 O ATOM 511 CB LEU A 97 -2.367 -2.513 9.487 1.00 0.00 C ATOM 512 CG LEU A 97 -1.815 -1.842 8.229 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.936 -1.187 7.437 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.749 -0.818 8.594 1.00 0.00 C ATOM 0 H LEU A 97 -3.939 -3.317 11.208 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.978 -3.492 8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.920 -1.768 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.526 -2.829 10.105 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.356 -2.608 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.524 -0.715 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.664 -1.943 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.425 -0.433 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.368 -0.351 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.183 -0.055 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.068 -1.314 9.117 1.00 0.00 H new ATOM 526 N ASP A 98 -1.542 -5.347 9.726 1.00 0.00 N ATOM 527 CA ASP A 98 -0.684 -6.495 9.455 1.00 0.00 C ATOM 528 C ASP A 98 -1.422 -7.542 8.627 1.00 0.00 C ATOM 529 O ASP A 98 -0.940 -7.971 7.578 1.00 0.00 O ATOM 530 CB ASP A 98 -0.196 -7.115 10.765 1.00 0.00 C ATOM 531 CG ASP A 98 0.915 -8.124 10.550 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.999 -7.722 10.080 1.00 0.00 O ATOM 533 OD2 ASP A 98 0.699 -9.317 10.851 1.00 0.00 O ATOM 0 H ASP A 98 -1.385 -4.908 10.633 1.00 0.00 H new ATOM 0 HA ASP A 98 0.177 -6.147 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.158 -6.325 11.428 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.032 -7.601 11.267 1.00 0.00 H new ATOM 538 N SER A 99 -2.593 -7.949 9.105 1.00 0.00 N ATOM 539 CA SER A 99 -3.396 -8.950 8.412 1.00 0.00 C ATOM 540 C SER A 99 -3.716 -8.499 6.990 1.00 0.00 C ATOM 541 O SER A 99 -3.394 -9.187 6.020 1.00 0.00 O ATOM 542 CB SER A 99 -4.693 -9.215 9.179 1.00 0.00 C ATOM 543 OG SER A 99 -4.445 -9.966 10.355 1.00 0.00 O ATOM 0 H SER A 99 -3.007 -7.601 9.970 1.00 0.00 H new ATOM 0 HA SER A 99 -2.818 -9.873 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.164 -8.268 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.393 -9.754 8.541 1.00 0.00 H new ATOM 0 HG SER A 99 -5.289 -10.121 10.828 1.00 0.00 H new ATOM 549 N LEU A 100 -4.352 -7.339 6.873 1.00 0.00 N ATOM 550 CA LEU A 100 -4.717 -6.794 5.570 1.00 0.00 C ATOM 551 C LEU A 100 -3.538 -6.857 4.604 1.00 0.00 C ATOM 552 O LEU A 100 -3.716 -7.074 3.405 1.00 0.00 O ATOM 553 CB LEU A 100 -5.195 -5.348 5.716 1.00 0.00 C ATOM 554 CG LEU A 100 -6.631 -5.162 6.207 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.838 -3.747 6.726 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.620 -5.474 5.094 1.00 0.00 C ATOM 0 H LEU A 100 -4.626 -6.757 7.665 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.528 -7.399 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.527 -4.834 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.096 -4.854 4.749 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.807 -5.858 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.866 -3.633 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.154 -3.559 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.643 -3.034 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.637 -5.336 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.444 -4.804 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.488 -6.506 4.769 1.00 0.00 H new ATOM 568 N LEU A 101 -2.335 -6.668 5.134 1.00 0.00 N ATOM 569 CA LEU A 101 -1.125 -6.705 4.319 1.00 0.00 C ATOM 570 C LEU A 101 -0.850 -8.120 3.819 1.00 0.00 C ATOM 571 O LEU A 101 -0.812 -8.367 2.614 1.00 0.00 O ATOM 572 CB LEU A 101 0.071 -6.195 5.124 1.00 0.00 C ATOM 573 CG LEU A 101 -0.109 -4.839 5.807 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.029 -4.576 6.781 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.195 -3.727 4.772 1.00 0.00 C ATOM 0 H LEU A 101 -2.171 -6.488 6.124 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.277 -6.057 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.312 -6.935 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.932 -6.133 4.458 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.043 -4.858 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.884 -3.606 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.044 -5.356 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.977 -4.577 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.323 -2.769 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.722 -3.707 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.045 -3.907 4.114 1.00 0.00 H new ATOM 587 N VAL A 102 -0.660 -9.046 4.753 1.00 0.00 N ATOM 588 CA VAL A 102 -0.391 -10.437 4.408 1.00 0.00 C ATOM 589 C VAL A 102 -1.583 -11.066 3.695 1.00 0.00 C ATOM 590 O VAL A 102 -1.498 -12.187 3.194 1.00 0.00 O ATOM 591 CB VAL A 102 -0.056 -11.271 5.658 1.00 0.00 C ATOM 592 CG1 VAL A 102 1.108 -10.653 6.416 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.278 -11.401 6.555 1.00 0.00 C ATOM 0 H VAL A 102 -0.687 -8.858 5.755 1.00 0.00 H new ATOM 0 HA VAL A 102 0.470 -10.437 3.740 1.00 0.00 H new ATOM 0 HB VAL A 102 0.240 -12.270 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.330 -11.256 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.985 -10.617 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.844 -9.642 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.023 -11.994 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.606 -10.410 6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.081 -11.893 6.006 1.00 0.00 H new ATOM 603 N GLN A 103 -2.693 -10.336 3.652 1.00 0.00 N ATOM 604 CA GLN A 103 -3.903 -10.823 3.000 1.00 0.00 C ATOM 605 C GLN A 103 -3.769 -10.754 1.483 1.00 0.00 C ATOM 606 O GLN A 103 -4.356 -11.560 0.760 1.00 0.00 O ATOM 607 CB GLN A 103 -5.116 -10.010 3.455 1.00 0.00 C ATOM 608 CG GLN A 103 -5.794 -10.570 4.696 1.00 0.00 C ATOM 609 CD GLN A 103 -7.273 -10.245 4.749 1.00 0.00 C ATOM 610 OE1 GLN A 103 -8.077 -10.834 4.026 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.642 -9.302 5.609 1.00 0.00 N ATOM 0 H GLN A 103 -2.779 -9.406 4.061 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.046 -11.865 3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.802 -8.985 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.841 -9.969 2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.662 -11.652 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.306 -10.169 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.943 -8.839 6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.625 -9.041 5.689 1.00 0.00 H new ATOM 620 N TYR A 104 -2.995 -9.785 1.006 1.00 0.00 N ATOM 621 CA TYR A 104 -2.786 -9.608 -0.426 1.00 0.00 C ATOM 622 C TYR A 104 -1.685 -10.534 -0.935 1.00 0.00 C ATOM 623 O TYR A 104 -1.836 -11.191 -1.964 1.00 0.00 O ATOM 624 CB TYR A 104 -2.429 -8.154 -0.735 1.00 0.00 C ATOM 625 CG TYR A 104 -3.545 -7.179 -0.435 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.597 -7.002 -1.325 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.548 -6.435 0.739 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.619 -6.112 -1.055 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.566 -5.544 1.017 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.599 -5.386 0.117 1.00 0.00 C ATOM 631 OH TYR A 104 -6.615 -4.499 0.390 1.00 0.00 O ATOM 0 H TYR A 104 -2.502 -9.110 1.591 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.715 -9.863 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.548 -7.874 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.159 -8.071 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.616 -7.570 -2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.740 -6.556 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.429 -5.986 -1.758 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.553 -4.974 1.934 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.451 -4.070 1.255 1.00 0.00 H new ATOM 641 N GLY A 105 -0.575 -10.580 -0.204 1.00 0.00 N ATOM 642 CA GLY A 105 0.536 -11.427 -0.595 1.00 0.00 C ATOM 643 C GLY A 105 1.552 -11.600 0.516 1.00 0.00 C ATOM 644 O GLY A 105 1.232 -11.431 1.693 1.00 0.00 O ATOM 0 H GLY A 105 -0.426 -10.046 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.157 -12.405 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.027 -10.997 -1.468 1.00 0.00 H new ATOM 648 N VAL A 106 2.783 -11.939 0.144 1.00 0.00 N ATOM 649 CA VAL A 106 3.850 -12.136 1.118 1.00 0.00 C ATOM 650 C VAL A 106 4.613 -10.840 1.366 1.00 0.00 C ATOM 651 O VAL A 106 5.520 -10.487 0.613 1.00 0.00 O ATOM 652 CB VAL A 106 4.840 -13.221 0.654 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.950 -13.404 1.678 1.00 0.00 C ATOM 654 CG2 VAL A 106 4.112 -14.534 0.404 1.00 0.00 C ATOM 0 H VAL A 106 3.066 -12.083 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 106 3.377 -12.459 2.045 1.00 0.00 H new ATOM 0 HB VAL A 106 5.293 -12.899 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.640 -14.174 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.488 -12.464 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.518 -13.704 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.826 -15.290 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.631 -14.864 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.357 -14.390 -0.369 1.00 0.00 H new ATOM 664 N VAL A 107 4.239 -10.134 2.429 1.00 0.00 N ATOM 665 CA VAL A 107 4.889 -8.877 2.778 1.00 0.00 C ATOM 666 C VAL A 107 6.281 -9.119 3.351 1.00 0.00 C ATOM 667 O VAL A 107 6.443 -9.301 4.557 1.00 0.00 O ATOM 668 CB VAL A 107 4.057 -8.080 3.800 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.703 -8.950 4.996 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.808 -6.833 4.242 1.00 0.00 C ATOM 0 H VAL A 107 3.490 -10.412 3.063 1.00 0.00 H new ATOM 0 HA VAL A 107 4.973 -8.298 1.858 1.00 0.00 H new ATOM 0 HB VAL A 107 3.129 -7.767 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.115 -8.369 5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.122 -9.810 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.618 -9.296 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.205 -6.282 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.753 -7.121 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.005 -6.201 3.376 1.00 0.00 H new ATOM 680 N GLU A 108 7.283 -9.118 2.478 1.00 0.00 N ATOM 681 CA GLU A 108 8.662 -9.338 2.898 1.00 0.00 C ATOM 682 C GLU A 108 8.960 -8.596 4.197 1.00 0.00 C ATOM 683 O GLU A 108 9.624 -9.125 5.088 1.00 0.00 O ATOM 684 CB GLU A 108 9.630 -8.883 1.804 1.00 0.00 C ATOM 685 CG GLU A 108 10.928 -9.673 1.772 1.00 0.00 C ATOM 686 CD GLU A 108 11.888 -9.175 0.710 1.00 0.00 C ATOM 687 OE1 GLU A 108 11.445 -8.434 -0.192 1.00 0.00 O ATOM 688 OE2 GLU A 108 13.085 -9.527 0.781 1.00 0.00 O ATOM 0 H GLU A 108 7.166 -8.967 1.476 1.00 0.00 H new ATOM 0 HA GLU A 108 8.796 -10.406 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.137 -8.970 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.860 -7.828 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.409 -9.613 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.705 -10.724 1.590 1.00 0.00 H new ATOM 695 N SER A 109 8.464 -7.367 4.297 1.00 0.00 N ATOM 696 CA SER A 109 8.680 -6.550 5.485 1.00 0.00 C ATOM 697 C SER A 109 7.828 -5.285 5.437 1.00 0.00 C ATOM 698 O SER A 109 7.644 -4.687 4.376 1.00 0.00 O ATOM 699 CB SER A 109 10.158 -6.177 5.612 1.00 0.00 C ATOM 700 OG SER A 109 10.392 -5.406 6.778 1.00 0.00 O ATOM 0 H SER A 109 7.910 -6.915 3.570 1.00 0.00 H new ATOM 0 HA SER A 109 8.384 -7.135 6.356 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.763 -7.083 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.471 -5.615 4.732 1.00 0.00 H new ATOM 0 HG SER A 109 11.344 -5.182 6.837 1.00 0.00 H new ATOM 706 N CYS A 110 7.310 -4.884 6.593 1.00 0.00 N ATOM 707 CA CYS A 110 6.476 -3.691 6.684 1.00 0.00 C ATOM 708 C CYS A 110 7.166 -2.606 7.504 1.00 0.00 C ATOM 709 O CYS A 110 7.142 -2.635 8.734 1.00 0.00 O ATOM 710 CB CYS A 110 5.123 -4.035 7.308 1.00 0.00 C ATOM 711 SG CYS A 110 4.005 -2.624 7.474 1.00 0.00 S ATOM 0 H CYS A 110 7.453 -5.367 7.480 1.00 0.00 H new ATOM 0 HA CYS A 110 6.317 -3.312 5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.638 -4.799 6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.290 -4.470 8.293 1.00 0.00 H new ATOM 0 HG CYS A 110 2.887 -3.017 8.010 1.00 0.00 H new ATOM 717 N GLU A 111 7.783 -1.652 6.813 1.00 0.00 N ATOM 718 CA GLU A 111 8.482 -0.559 7.479 1.00 0.00 C ATOM 719 C GLU A 111 7.532 0.600 7.768 1.00 0.00 C ATOM 720 O GLU A 111 6.511 0.759 7.100 1.00 0.00 O ATOM 721 CB GLU A 111 9.650 -0.072 6.618 1.00 0.00 C ATOM 722 CG GLU A 111 10.605 0.852 7.355 1.00 0.00 C ATOM 723 CD GLU A 111 11.387 0.138 8.440 1.00 0.00 C ATOM 724 OE1 GLU A 111 11.714 -1.053 8.250 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.672 0.768 9.480 1.00 0.00 O ATOM 0 H GLU A 111 7.813 -1.614 5.794 1.00 0.00 H new ATOM 0 HA GLU A 111 8.869 -0.934 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.204 -0.936 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.255 0.448 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.301 1.293 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.041 1.672 7.799 1.00 0.00 H new ATOM 732 N GLN A 112 7.876 1.404 8.769 1.00 0.00 N ATOM 733 CA GLN A 112 7.053 2.547 9.147 1.00 0.00 C ATOM 734 C GLN A 112 7.584 3.831 8.520 1.00 0.00 C ATOM 735 O GLN A 112 8.757 3.918 8.155 1.00 0.00 O ATOM 736 CB GLN A 112 7.009 2.688 10.670 1.00 0.00 C ATOM 737 CG GLN A 112 5.860 3.550 11.167 1.00 0.00 C ATOM 738 CD GLN A 112 5.481 3.244 12.603 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.319 2.827 13.403 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.213 3.450 12.938 1.00 0.00 N ATOM 0 H GLN A 112 8.718 1.285 9.332 1.00 0.00 H new ATOM 0 HA GLN A 112 6.043 2.375 8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.928 1.697 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.950 3.117 11.014 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.137 4.601 11.084 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.992 3.397 10.525 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.552 3.797 12.243 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.900 3.262 13.890 1.00 0.00 H new ATOM 749 N VAL A 113 6.714 4.828 8.397 1.00 0.00 N ATOM 750 CA VAL A 113 7.095 6.109 7.815 1.00 0.00 C ATOM 751 C VAL A 113 6.182 7.228 8.303 1.00 0.00 C ATOM 752 O VAL A 113 5.030 6.991 8.663 1.00 0.00 O ATOM 753 CB VAL A 113 7.052 6.061 6.276 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.542 7.375 5.687 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.878 4.894 5.757 1.00 0.00 C ATOM 0 H VAL A 113 5.739 4.773 8.693 1.00 0.00 H new ATOM 0 HA VAL A 113 8.117 6.311 8.137 1.00 0.00 H new ATOM 0 HB VAL A 113 6.018 5.913 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.505 7.322 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.905 8.189 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.568 7.557 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.837 4.875 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.913 5.009 6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.477 3.960 6.152 1.00 0.00 H new ATOM 765 N ASN A 114 6.706 8.450 8.312 1.00 0.00 N ATOM 766 CA ASN A 114 5.938 9.608 8.756 1.00 0.00 C ATOM 767 C ASN A 114 6.062 10.757 7.761 1.00 0.00 C ATOM 768 O ASN A 114 7.110 11.397 7.661 1.00 0.00 O ATOM 769 CB ASN A 114 6.413 10.061 10.138 1.00 0.00 C ATOM 770 CG ASN A 114 7.876 9.743 10.380 1.00 0.00 C ATOM 771 OD1 ASN A 114 8.698 9.818 9.466 1.00 0.00 O ATOM 772 ND2 ASN A 114 8.207 9.385 11.615 1.00 0.00 N ATOM 0 H ASN A 114 7.659 8.664 8.017 1.00 0.00 H new ATOM 0 HA ASN A 114 4.890 9.316 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.256 11.135 10.239 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.807 9.577 10.904 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.176 9.159 11.838 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.492 9.337 12.341 1.00 0.00 H new ATOM 779 N THR A 115 4.985 11.016 7.026 1.00 0.00 N ATOM 780 CA THR A 115 4.972 12.087 6.038 1.00 0.00 C ATOM 781 C THR A 115 4.495 13.397 6.654 1.00 0.00 C ATOM 782 O THR A 115 3.954 14.259 5.961 1.00 0.00 O ATOM 783 CB THR A 115 4.069 11.737 4.840 1.00 0.00 C ATOM 784 OG1 THR A 115 4.301 12.656 3.767 1.00 0.00 O ATOM 785 CG2 THR A 115 2.602 11.775 5.240 1.00 0.00 C ATOM 0 H THR A 115 4.109 10.498 7.097 1.00 0.00 H new ATOM 0 HA THR A 115 5.997 12.205 5.687 1.00 0.00 H new ATOM 0 HB THR A 115 4.313 10.727 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.270 13.574 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.983 11.525 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.423 11.053 6.037 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.347 12.775 5.592 1.00 0.00 H new ATOM 793 N ASP A 116 4.699 13.541 7.959 1.00 0.00 N ATOM 794 CA ASP A 116 4.290 14.748 8.668 1.00 0.00 C ATOM 795 C ASP A 116 2.815 15.048 8.425 1.00 0.00 C ATOM 796 O ASP A 116 2.441 16.185 8.137 1.00 0.00 O ATOM 797 CB ASP A 116 5.145 15.938 8.228 1.00 0.00 C ATOM 798 CG ASP A 116 5.135 17.064 9.243 1.00 0.00 C ATOM 799 OD1 ASP A 116 5.291 16.777 10.448 1.00 0.00 O ATOM 800 OD2 ASP A 116 4.972 18.232 8.832 1.00 0.00 O ATOM 0 H ASP A 116 5.145 12.837 8.547 1.00 0.00 H new ATOM 0 HA ASP A 116 4.436 14.580 9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 116 6.171 15.606 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.779 16.311 7.272 1.00 0.00 H new ATOM 805 N SER A 117 1.980 14.020 8.543 1.00 0.00 N ATOM 806 CA SER A 117 0.545 14.172 8.332 1.00 0.00 C ATOM 807 C SER A 117 -0.244 13.443 9.415 1.00 0.00 C ATOM 808 O SER A 117 0.244 12.486 10.014 1.00 0.00 O ATOM 809 CB SER A 117 0.152 13.640 6.952 1.00 0.00 C ATOM 810 OG SER A 117 -1.199 13.946 6.653 1.00 0.00 O ATOM 0 H SER A 117 2.273 13.073 8.784 1.00 0.00 H new ATOM 0 HA SER A 117 0.305 15.234 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.803 14.074 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.299 12.561 6.919 1.00 0.00 H new ATOM 0 HG SER A 117 -1.425 13.597 5.766 1.00 0.00 H new ATOM 816 N GLU A 118 -1.467 13.904 9.659 1.00 0.00 N ATOM 817 CA GLU A 118 -2.324 13.296 10.670 1.00 0.00 C ATOM 818 C GLU A 118 -2.432 11.789 10.457 1.00 0.00 C ATOM 819 O GLU A 118 -2.036 10.998 11.314 1.00 0.00 O ATOM 820 CB GLU A 118 -3.717 13.929 10.637 1.00 0.00 C ATOM 821 CG GLU A 118 -3.732 15.389 11.056 1.00 0.00 C ATOM 822 CD GLU A 118 -3.303 16.321 9.939 1.00 0.00 C ATOM 823 OE1 GLU A 118 -3.725 16.099 8.785 1.00 0.00 O ATOM 824 OE2 GLU A 118 -2.546 17.273 10.221 1.00 0.00 O ATOM 0 H GLU A 118 -1.886 14.696 9.171 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.875 13.476 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.121 13.845 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.379 13.364 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.736 15.659 11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.070 15.524 11.911 1.00 0.00 H new ATOM 831 N THR A 119 -2.973 11.397 9.307 1.00 0.00 N ATOM 832 CA THR A 119 -3.136 9.986 8.981 1.00 0.00 C ATOM 833 C THR A 119 -1.815 9.236 9.107 1.00 0.00 C ATOM 834 O THR A 119 -0.744 9.811 8.915 1.00 0.00 O ATOM 835 CB THR A 119 -3.685 9.799 7.553 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.895 10.549 6.623 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.137 10.246 7.469 1.00 0.00 C ATOM 0 H THR A 119 -3.306 12.037 8.586 1.00 0.00 H new ATOM 0 HA THR A 119 -3.852 9.578 9.694 1.00 0.00 H new ATOM 0 HB THR A 119 -3.632 8.739 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.455 10.828 5.869 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.503 10.105 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.740 9.654 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.209 11.300 7.738 1.00 0.00 H new ATOM 845 N ALA A 120 -1.898 7.950 9.430 1.00 0.00 N ATOM 846 CA ALA A 120 -0.709 7.121 9.579 1.00 0.00 C ATOM 847 C ALA A 120 -0.084 6.808 8.224 1.00 0.00 C ATOM 848 O ALA A 120 -0.779 6.737 7.210 1.00 0.00 O ATOM 849 CB ALA A 120 -1.052 5.833 10.314 1.00 0.00 C ATOM 0 H ALA A 120 -2.777 7.459 9.594 1.00 0.00 H new ATOM 0 HA ALA A 120 0.021 7.679 10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.154 5.223 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.445 6.072 11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.802 5.280 9.749 1.00 0.00 H new ATOM 855 N VAL A 121 1.232 6.623 8.212 1.00 0.00 N ATOM 856 CA VAL A 121 1.951 6.318 6.981 1.00 0.00 C ATOM 857 C VAL A 121 2.929 5.167 7.187 1.00 0.00 C ATOM 858 O VAL A 121 3.617 5.098 8.205 1.00 0.00 O ATOM 859 CB VAL A 121 2.721 7.546 6.461 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.464 7.207 5.178 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.774 8.717 6.246 1.00 0.00 C ATOM 0 H VAL A 121 1.822 6.679 9.042 1.00 0.00 H new ATOM 0 HA VAL A 121 1.204 6.028 6.242 1.00 0.00 H new ATOM 0 HB VAL A 121 3.456 7.837 7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.002 8.087 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.172 6.401 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.751 6.889 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.335 9.576 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.014 8.441 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.294 8.974 7.190 1.00 0.00 H new ATOM 871 N VAL A 122 2.987 4.265 6.212 1.00 0.00 N ATOM 872 CA VAL A 122 3.884 3.117 6.285 1.00 0.00 C ATOM 873 C VAL A 122 4.288 2.646 4.892 1.00 0.00 C ATOM 874 O VAL A 122 3.638 2.976 3.902 1.00 0.00 O ATOM 875 CB VAL A 122 3.233 1.945 7.043 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.876 2.359 8.462 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.004 1.446 6.298 1.00 0.00 C ATOM 0 H VAL A 122 2.424 4.307 5.363 1.00 0.00 H new ATOM 0 HA VAL A 122 4.772 3.442 6.827 1.00 0.00 H new ATOM 0 HB VAL A 122 3.952 1.127 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.417 1.518 8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.780 2.663 8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.175 3.193 8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.557 0.618 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.279 2.255 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.294 1.107 5.304 1.00 0.00 H new ATOM 887 N ASN A 123 5.366 1.872 4.825 1.00 0.00 N ATOM 888 CA ASN A 123 5.858 1.355 3.553 1.00 0.00 C ATOM 889 C ASN A 123 5.778 -0.168 3.518 1.00 0.00 C ATOM 890 O ASN A 123 6.350 -0.850 4.368 1.00 0.00 O ATOM 891 CB ASN A 123 7.301 1.807 3.319 1.00 0.00 C ATOM 892 CG ASN A 123 7.391 3.267 2.917 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.377 3.915 2.660 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.610 3.790 2.860 1.00 0.00 N ATOM 0 H ASN A 123 5.916 1.589 5.636 1.00 0.00 H new ATOM 0 HA ASN A 123 5.227 1.753 2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.881 1.647 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.751 1.190 2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.734 4.767 2.595 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.423 3.215 3.082 1.00 0.00 H new ATOM 901 N VAL A 124 5.065 -0.695 2.528 1.00 0.00 N ATOM 902 CA VAL A 124 4.912 -2.137 2.380 1.00 0.00 C ATOM 903 C VAL A 124 5.890 -2.691 1.349 1.00 0.00 C ATOM 904 O VAL A 124 5.976 -2.191 0.227 1.00 0.00 O ATOM 905 CB VAL A 124 3.477 -2.509 1.961 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.343 -4.015 1.792 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.474 -1.988 2.979 1.00 0.00 C ATOM 0 H VAL A 124 4.584 -0.145 1.816 1.00 0.00 H new ATOM 0 HA VAL A 124 5.125 -2.579 3.353 1.00 0.00 H new ATOM 0 HB VAL A 124 3.264 -2.039 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.323 -4.259 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.036 -4.358 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.575 -4.509 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.465 -2.259 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.684 -2.428 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.553 -0.903 3.046 1.00 0.00 H new ATOM 917 N THR A 125 6.626 -3.728 1.737 1.00 0.00 N ATOM 918 CA THR A 125 7.598 -4.350 0.848 1.00 0.00 C ATOM 919 C THR A 125 7.286 -5.828 0.638 1.00 0.00 C ATOM 920 O THR A 125 7.642 -6.670 1.462 1.00 0.00 O ATOM 921 CB THR A 125 9.031 -4.213 1.398 1.00 0.00 C ATOM 922 OG1 THR A 125 9.247 -2.881 1.874 1.00 0.00 O ATOM 923 CG2 THR A 125 10.056 -4.547 0.325 1.00 0.00 C ATOM 0 H THR A 125 6.567 -4.154 2.662 1.00 0.00 H new ATOM 0 HA THR A 125 7.531 -3.828 -0.107 1.00 0.00 H new ATOM 0 HB THR A 125 9.150 -4.916 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.159 -2.802 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.060 -4.443 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.907 -5.572 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.937 -3.865 -0.517 1.00 0.00 H new ATOM 931 N TYR A 126 6.619 -6.135 -0.468 1.00 0.00 N ATOM 932 CA TYR A 126 6.256 -7.512 -0.785 1.00 0.00 C ATOM 933 C TYR A 126 7.406 -8.230 -1.484 1.00 0.00 C ATOM 934 O TYR A 126 7.986 -7.715 -2.440 1.00 0.00 O ATOM 935 CB TYR A 126 5.008 -7.542 -1.669 1.00 0.00 C ATOM 936 CG TYR A 126 3.739 -7.170 -0.937 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.166 -8.035 -0.013 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.112 -5.951 -1.169 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.006 -7.699 0.657 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.952 -5.606 -0.503 1.00 0.00 C ATOM 941 CZ TYR A 126 1.403 -6.484 0.409 1.00 0.00 C ATOM 942 OH TYR A 126 0.248 -6.145 1.076 1.00 0.00 O ATOM 0 H TYR A 126 6.318 -5.449 -1.161 1.00 0.00 H new ATOM 0 HA TYR A 126 6.043 -8.030 0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.149 -6.858 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.895 -8.541 -2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.636 -8.987 0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.539 -5.262 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.574 -8.384 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.478 -4.655 -0.695 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.078 -6.919 1.581 1.00 0.00 H new ATOM 952 N SER A 127 7.730 -9.425 -1.000 1.00 0.00 N ATOM 953 CA SER A 127 8.812 -10.215 -1.575 1.00 0.00 C ATOM 954 C SER A 127 8.669 -10.311 -3.091 1.00 0.00 C ATOM 955 O SER A 127 9.640 -10.145 -3.829 1.00 0.00 O ATOM 956 CB SER A 127 8.829 -11.618 -0.964 1.00 0.00 C ATOM 957 OG SER A 127 9.869 -12.404 -1.519 1.00 0.00 O ATOM 0 H SER A 127 7.258 -9.867 -0.211 1.00 0.00 H new ATOM 0 HA SER A 127 9.753 -9.715 -1.347 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.960 -11.546 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.869 -12.105 -1.137 1.00 0.00 H new ATOM 0 HG SER A 127 9.859 -13.295 -1.111 1.00 0.00 H new ATOM 963 N SER A 128 7.450 -10.579 -3.549 1.00 0.00 N ATOM 964 CA SER A 128 7.179 -10.700 -4.976 1.00 0.00 C ATOM 965 C SER A 128 6.540 -9.425 -5.518 1.00 0.00 C ATOM 966 O SER A 128 6.046 -8.592 -4.758 1.00 0.00 O ATOM 967 CB SER A 128 6.263 -11.896 -5.243 1.00 0.00 C ATOM 968 OG SER A 128 6.959 -13.119 -5.075 1.00 0.00 O ATOM 0 H SER A 128 6.635 -10.716 -2.952 1.00 0.00 H new ATOM 0 HA SER A 128 8.128 -10.856 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.410 -11.863 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.867 -11.836 -6.257 1.00 0.00 H new ATOM 0 HG SER A 128 6.351 -13.868 -5.250 1.00 0.00 H new ATOM 974 N LYS A 129 6.554 -9.280 -6.839 1.00 0.00 N ATOM 975 CA LYS A 129 5.975 -8.108 -7.486 1.00 0.00 C ATOM 976 C LYS A 129 4.460 -8.242 -7.601 1.00 0.00 C ATOM 977 O LYS A 129 3.714 -7.397 -7.107 1.00 0.00 O ATOM 978 CB LYS A 129 6.588 -7.912 -8.874 1.00 0.00 C ATOM 979 CG LYS A 129 7.852 -7.070 -8.869 1.00 0.00 C ATOM 980 CD LYS A 129 9.005 -7.800 -8.200 1.00 0.00 C ATOM 981 CE LYS A 129 10.130 -6.845 -7.831 1.00 0.00 C ATOM 982 NZ LYS A 129 11.124 -6.707 -8.931 1.00 0.00 N ATOM 0 H LYS A 129 6.960 -9.959 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 129 6.198 -7.237 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.814 -8.888 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.851 -7.441 -9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.126 -6.817 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.663 -6.131 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.646 -8.305 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.386 -8.571 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 129 9.712 -5.866 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.631 -7.204 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 11.874 -6.048 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.541 -7.636 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.652 -6.340 -9.782 1.00 0.00 H new ATOM 996 N ASP A 130 4.014 -9.309 -8.254 1.00 0.00 N ATOM 997 CA ASP A 130 2.587 -9.555 -8.431 1.00 0.00 C ATOM 998 C ASP A 130 1.836 -9.367 -7.117 1.00 0.00 C ATOM 999 O ASP A 130 0.820 -8.675 -7.067 1.00 0.00 O ATOM 1000 CB ASP A 130 2.355 -10.969 -8.967 1.00 0.00 C ATOM 1001 CG ASP A 130 0.906 -11.216 -9.338 1.00 0.00 C ATOM 1002 OD1 ASP A 130 0.068 -11.322 -8.418 1.00 0.00 O ATOM 1003 OD2 ASP A 130 0.609 -11.306 -10.548 1.00 0.00 O ATOM 0 H ASP A 130 4.619 -10.017 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 130 2.206 -8.833 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.984 -11.130 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.663 -11.695 -8.215 1.00 0.00 H new ATOM 1008 N GLN A 131 2.342 -9.988 -6.057 1.00 0.00 N ATOM 1009 CA GLN A 131 1.717 -9.890 -4.743 1.00 0.00 C ATOM 1010 C GLN A 131 1.447 -8.434 -4.377 1.00 0.00 C ATOM 1011 O GLN A 131 0.517 -8.135 -3.629 1.00 0.00 O ATOM 1012 CB GLN A 131 2.607 -10.538 -3.682 1.00 0.00 C ATOM 1013 CG GLN A 131 2.438 -12.046 -3.584 1.00 0.00 C ATOM 1014 CD GLN A 131 3.708 -12.749 -3.147 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.559 -12.035 -2.419 1.00 0.00 O flip ATOM 1016 NE2 GLN A 131 3.922 -13.920 -3.459 1.00 0.00 N flip ATOM 0 H GLN A 131 3.183 -10.564 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 131 0.765 -10.419 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.649 -10.311 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.386 -10.092 -2.712 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.640 -12.273 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.126 -12.436 -4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.240 -14.431 -4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.781 -14.379 -3.157 1.00 0.00 H new ATOM 1025 N ALA A 132 2.266 -7.533 -4.909 1.00 0.00 N ATOM 1026 CA ALA A 132 2.114 -6.109 -4.639 1.00 0.00 C ATOM 1027 C ALA A 132 1.050 -5.490 -5.539 1.00 0.00 C ATOM 1028 O ALA A 132 0.215 -4.709 -5.083 1.00 0.00 O ATOM 1029 CB ALA A 132 3.444 -5.392 -4.821 1.00 0.00 C ATOM 0 H ALA A 132 3.042 -7.764 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 132 1.790 -5.993 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.315 -4.329 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.179 -5.808 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.792 -5.524 -5.846 1.00 0.00 H new ATOM 1035 N ARG A 133 1.087 -5.843 -6.820 1.00 0.00 N ATOM 1036 CA ARG A 133 0.127 -5.321 -7.784 1.00 0.00 C ATOM 1037 C ARG A 133 -1.266 -5.228 -7.169 1.00 0.00 C ATOM 1038 O ARG A 133 -1.911 -4.181 -7.226 1.00 0.00 O ATOM 1039 CB ARG A 133 0.087 -6.209 -9.029 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.850 -5.699 -10.112 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.142 -4.740 -11.055 1.00 0.00 C ATOM 1042 NE ARG A 133 -0.990 -4.350 -12.178 1.00 0.00 N ATOM 1043 CZ ARG A 133 -0.736 -3.311 -12.966 1.00 0.00 C ATOM 1044 NH1 ARG A 133 0.338 -2.562 -12.755 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -1.556 -3.020 -13.968 1.00 0.00 N ATOM 0 H ARG A 133 1.772 -6.488 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 133 0.447 -4.319 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.093 -6.290 -9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.220 -7.214 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.246 -6.542 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.701 -5.197 -9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.163 -3.850 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.767 -5.208 -11.433 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.824 -4.906 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.971 -2.783 -11.986 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.531 -1.765 -13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.382 -3.594 -14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -1.360 -2.222 -14.572 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.723 -6.329 -6.581 1.00 0.00 N ATOM 1060 CA GLN A 134 -3.040 -6.371 -5.956 1.00 0.00 C ATOM 1061 C GLN A 134 -3.098 -5.443 -4.747 1.00 0.00 C ATOM 1062 O GLN A 134 -3.930 -4.538 -4.687 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.382 -7.801 -5.534 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.873 -8.050 -5.381 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.687 -7.422 -6.496 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -6.493 -6.521 -6.260 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.480 -7.895 -7.719 1.00 0.00 N ATOM 0 H GLN A 134 -1.201 -7.203 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.773 -6.031 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.980 -8.495 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.887 -8.020 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.058 -9.124 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.208 -7.652 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -4.802 -8.642 -7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.999 -7.511 -8.509 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.210 -5.675 -3.786 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.160 -4.859 -2.579 1.00 0.00 C ATOM 1078 C ALA A 135 -2.449 -3.395 -2.894 1.00 0.00 C ATOM 1079 O ALA A 135 -3.318 -2.777 -2.279 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.804 -4.999 -1.904 1.00 0.00 C ATOM 0 H ALA A 135 -1.515 -6.421 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.932 -5.215 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.780 -4.384 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.637 -6.042 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.021 -4.671 -2.588 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.714 -2.846 -3.855 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.891 -1.453 -4.251 1.00 0.00 C ATOM 1088 C LEU A 136 -3.168 -1.276 -5.065 1.00 0.00 C ATOM 1089 O LEU A 136 -4.009 -0.435 -4.745 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.685 -0.976 -5.063 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.862 0.343 -5.815 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.491 0.935 -6.180 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.709 0.136 -7.063 1.00 0.00 C ATOM 0 H LEU A 136 -0.990 -3.344 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.973 -0.852 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.165 -0.875 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.429 -1.751 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.379 1.045 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.345 1.874 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.064 1.120 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.034 0.236 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.825 1.085 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.219 -0.583 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.690 -0.243 -6.778 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.309 -2.075 -6.117 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.486 -2.010 -6.975 1.00 0.00 C ATOM 1107 C ASP A 137 -5.758 -1.877 -6.144 1.00 0.00 C ATOM 1108 O ASP A 137 -6.781 -1.392 -6.628 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.568 -3.255 -7.860 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.757 -3.114 -9.134 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.732 -2.401 -9.108 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.147 -3.716 -10.156 1.00 0.00 O ATOM 0 H ASP A 137 -2.622 -2.776 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.394 -1.128 -7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.212 -4.120 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.610 -3.448 -8.115 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.688 -2.313 -4.891 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.833 -2.243 -3.991 1.00 0.00 C ATOM 1119 C LYS A 138 -6.621 -1.175 -2.923 1.00 0.00 C ATOM 1120 O LYS A 138 -7.362 -0.192 -2.858 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.070 -3.602 -3.328 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.342 -4.722 -4.317 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.775 -4.685 -4.820 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.277 -6.076 -5.175 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.751 -6.096 -5.390 1.00 0.00 N ATOM 0 H LYS A 138 -4.850 -2.719 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.710 -1.974 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.197 -3.862 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.914 -3.520 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.657 -4.638 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.147 -5.683 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.419 -4.249 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.838 -4.040 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.774 -6.424 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.017 -6.771 -4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.054 -7.062 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.233 -5.788 -4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.997 -5.452 -6.169 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.606 -1.371 -2.089 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.296 -0.423 -1.024 1.00 0.00 C ATOM 1141 C LEU A 139 -5.278 1.006 -1.556 1.00 0.00 C ATOM 1142 O LEU A 139 -5.794 1.923 -0.919 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.945 -0.761 -0.391 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.835 -2.140 0.259 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.384 -2.591 0.313 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.442 -2.122 1.655 1.00 0.00 C ATOM 0 H LEU A 139 -4.983 -2.178 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.075 -0.499 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.176 -0.681 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.721 -0.007 0.363 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.393 -2.852 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.326 -3.575 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.982 -2.644 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.803 -1.878 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.355 -3.112 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.912 -1.397 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.494 -1.844 1.591 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.682 1.188 -2.730 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.597 2.505 -3.349 1.00 0.00 C ATOM 1160 C ASN A 140 -5.926 3.247 -3.233 1.00 0.00 C ATOM 1161 O ASN A 140 -5.961 4.476 -3.186 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.200 2.376 -4.821 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.422 3.661 -5.595 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.551 4.135 -5.721 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.342 4.230 -6.118 1.00 0.00 N ATOM 0 H ASN A 140 -4.251 0.439 -3.272 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.833 3.077 -2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.150 2.092 -4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.777 1.574 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.429 5.096 -6.650 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.426 3.801 -5.988 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.018 2.490 -3.187 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.334 3.092 -3.076 1.00 0.00 C ATOM 1174 C GLY A 141 -9.187 2.428 -2.014 1.00 0.00 C ATOM 1175 O GLY A 141 -10.394 2.663 -1.940 1.00 0.00 O ATOM 0 H GLY A 141 -7.015 1.471 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.227 4.151 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.842 3.028 -4.038 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.562 1.594 -1.189 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.272 0.892 -0.127 1.00 0.00 C ATOM 1181 C PHE A 142 -9.729 1.864 0.957 1.00 0.00 C ATOM 1182 O PHE A 142 -8.915 2.388 1.717 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.379 -0.189 0.485 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.075 -1.026 1.520 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.481 -0.469 2.721 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.323 -2.370 1.291 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.121 -1.238 3.676 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.962 -3.144 2.241 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.363 -2.576 3.435 1.00 0.00 C ATOM 0 H PHE A 142 -7.564 1.388 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.153 0.421 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.012 -0.839 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.508 0.284 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.296 0.577 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.013 -2.818 0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.431 -0.792 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.148 -4.191 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.865 -3.177 4.179 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.035 2.099 1.020 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.600 3.009 2.010 1.00 0.00 C ATOM 1201 C GLN A 143 -11.688 2.340 3.377 1.00 0.00 C ATOM 1202 O GLN A 143 -12.265 1.260 3.515 1.00 0.00 O ATOM 1203 CB GLN A 143 -12.987 3.479 1.568 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.357 4.858 2.091 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.845 5.134 2.006 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.629 4.266 1.623 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.243 6.349 2.366 1.00 0.00 N ATOM 0 H GLN A 143 -11.722 1.673 0.398 1.00 0.00 H new ATOM 0 HA GLN A 143 -10.940 3.873 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.028 3.490 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.731 2.759 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.033 4.948 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.818 5.615 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -14.559 7.038 2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.233 6.593 2.331 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.113 2.986 4.385 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.127 2.453 5.743 1.00 0.00 C ATOM 1218 C LEU A 144 -11.344 3.566 6.763 1.00 0.00 C ATOM 1219 O LEU A 144 -10.515 4.465 6.900 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.815 1.723 6.038 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.852 0.714 7.186 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.702 -0.274 7.066 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.804 1.431 8.528 1.00 0.00 C ATOM 0 H LEU A 144 -10.631 3.880 4.288 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.954 1.748 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.501 1.202 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.050 2.467 6.260 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.788 0.159 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.745 -0.984 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.781 -0.811 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.755 0.264 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.831 0.697 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.884 2.012 8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.662 2.098 8.615 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.463 3.497 7.477 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.787 4.499 8.486 1.00 0.00 C ATOM 1237 C GLU A 145 -12.936 5.879 7.853 1.00 0.00 C ATOM 1238 O GLU A 145 -12.505 6.883 8.419 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.704 4.535 9.567 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.774 3.369 10.538 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.258 3.727 11.918 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -11.478 4.877 12.353 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.635 2.859 12.563 1.00 0.00 O ATOM 0 H GLU A 145 -13.160 2.759 7.376 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.737 4.224 8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.725 4.540 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.791 5.467 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.806 3.029 10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.193 2.536 10.142 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.550 5.920 6.675 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.756 7.177 5.964 1.00 0.00 C ATOM 1252 C ASN A 146 -12.423 7.780 5.529 1.00 0.00 C ATOM 1253 O ASN A 146 -12.271 9.001 5.475 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.514 8.169 6.848 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.825 7.604 7.359 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.842 6.628 8.109 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.931 8.216 6.953 1.00 0.00 N ATOM 0 H ASN A 146 -13.913 5.098 6.193 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.349 6.969 5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.888 8.449 7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.710 9.080 6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.843 7.880 7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.869 9.022 6.331 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.462 6.917 5.220 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.142 7.364 4.791 1.00 0.00 C ATOM 1266 C PHE A 147 -9.632 6.518 3.628 1.00 0.00 C ATOM 1267 O PHE A 147 -9.223 5.371 3.812 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.153 7.298 5.956 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.219 8.490 6.867 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.708 9.714 6.465 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.791 8.388 8.125 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.767 10.814 7.301 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.853 9.484 8.964 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.340 10.698 8.552 1.00 0.00 C ATOM 0 H PHE A 147 -11.572 5.904 5.259 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.228 8.397 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.347 6.396 6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.142 7.210 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.259 9.810 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.193 7.441 8.453 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.366 11.762 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.302 9.391 9.942 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.387 11.555 9.207 1.00 0.00 H new ATOM 1284 N THR A 148 -9.661 7.091 2.429 1.00 0.00 N ATOM 1285 CA THR A 148 -9.205 6.390 1.235 1.00 0.00 C ATOM 1286 C THR A 148 -7.701 6.147 1.282 1.00 0.00 C ATOM 1287 O THR A 148 -6.906 7.066 1.078 1.00 0.00 O ATOM 1288 CB THR A 148 -9.546 7.178 -0.044 1.00 0.00 C ATOM 1289 OG1 THR A 148 -10.938 7.515 -0.055 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.206 6.367 -1.285 1.00 0.00 C ATOM 0 H THR A 148 -9.996 8.039 2.259 1.00 0.00 H new ATOM 0 HA THR A 148 -9.725 5.432 1.212 1.00 0.00 H new ATOM 0 HB THR A 148 -8.951 8.091 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.147 8.017 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.455 6.943 -2.176 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.141 6.136 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.778 5.439 -1.281 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.315 4.904 1.551 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.905 4.540 1.624 1.00 0.00 C ATOM 1300 C LEU A 149 -5.202 4.814 0.299 1.00 0.00 C ATOM 1301 O LEU A 149 -5.608 4.310 -0.748 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.758 3.063 1.996 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.404 2.635 3.314 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.328 1.126 3.481 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.736 3.338 4.488 1.00 0.00 C ATOM 0 H LEU A 149 -7.959 4.132 1.722 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.437 5.152 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.186 2.463 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.695 2.824 2.041 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.455 2.925 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.793 0.841 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.852 0.642 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.284 0.812 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.208 3.022 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.677 3.079 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.844 4.417 4.375 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.144 5.616 0.351 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.381 5.956 -0.844 1.00 0.00 C ATOM 1319 C LYS A 150 -2.133 5.087 -0.959 1.00 0.00 C ATOM 1320 O LYS A 150 -1.333 5.006 -0.026 1.00 0.00 O ATOM 1321 CB LYS A 150 -2.986 7.434 -0.819 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.172 8.380 -0.742 1.00 0.00 C ATOM 1323 CD LYS A 150 -3.758 9.816 -1.015 1.00 0.00 C ATOM 1324 CE LYS A 150 -4.904 10.624 -1.605 1.00 0.00 C ATOM 1325 NZ LYS A 150 -4.571 12.072 -1.700 1.00 0.00 N ATOM 0 H LYS A 150 -3.795 6.043 1.209 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.013 5.770 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.334 7.613 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.408 7.662 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.929 8.075 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.628 8.313 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.423 10.282 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.912 9.827 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.145 10.241 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.794 10.496 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.377 12.588 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.365 12.444 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.737 12.197 -2.309 1.00 0.00 H new ATOM 1339 N VAL A 151 -1.971 4.439 -2.108 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.819 3.578 -2.345 1.00 0.00 C ATOM 1341 C VAL A 151 -0.132 3.928 -3.660 1.00 0.00 C ATOM 1342 O VAL A 151 -0.783 4.057 -4.697 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.224 2.092 -2.369 1.00 0.00 C ATOM 1344 CG1 VAL A 151 -0.003 1.209 -2.575 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -1.953 1.718 -1.088 1.00 0.00 C ATOM 0 H VAL A 151 -2.624 4.494 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.125 3.744 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.903 1.932 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.309 0.163 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.472 1.461 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.704 1.369 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.232 0.665 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.300 1.893 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.851 2.328 -0.989 1.00 0.00 H new ATOM 1355 N ALA A 152 1.187 4.080 -3.611 1.00 0.00 N ATOM 1356 CA ALA A 152 1.963 4.412 -4.799 1.00 0.00 C ATOM 1357 C ALA A 152 3.299 3.678 -4.806 1.00 0.00 C ATOM 1358 O ALA A 152 3.911 3.472 -3.757 1.00 0.00 O ATOM 1359 CB ALA A 152 2.185 5.915 -4.881 1.00 0.00 C ATOM 0 H ALA A 152 1.741 3.978 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 152 1.397 4.090 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.766 6.149 -5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.222 6.423 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.726 6.252 -3.997 1.00 0.00 H new ATOM 1365 N TYR A 153 3.746 3.284 -5.993 1.00 0.00 N ATOM 1366 CA TYR A 153 5.009 2.569 -6.136 1.00 0.00 C ATOM 1367 C TYR A 153 6.192 3.491 -5.857 1.00 0.00 C ATOM 1368 O TYR A 153 6.576 4.298 -6.704 1.00 0.00 O ATOM 1369 CB TYR A 153 5.128 1.978 -7.541 1.00 0.00 C ATOM 1370 CG TYR A 153 4.506 0.606 -7.677 1.00 0.00 C ATOM 1371 CD1 TYR A 153 5.212 -0.537 -7.326 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.209 0.455 -8.154 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.647 -1.792 -7.449 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.636 -0.796 -8.279 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.359 -1.916 -7.926 1.00 0.00 C ATOM 1376 OH TYR A 153 2.792 -3.164 -8.048 1.00 0.00 O ATOM 0 H TYR A 153 3.252 3.448 -6.871 1.00 0.00 H new ATOM 0 HA TYR A 153 5.024 1.759 -5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.654 2.655 -8.252 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.182 1.918 -7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 153 6.220 -0.443 -6.950 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.640 1.330 -8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 153 5.211 -2.671 -7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.627 -0.896 -8.651 1.00 0.00 H new ATOM 0 HH TYR A 153 3.168 -3.762 -7.368 1.00 0.00 H new ATOM 1386 N ILE A 154 6.764 3.365 -4.665 1.00 0.00 N ATOM 1387 CA ILE A 154 7.904 4.185 -4.275 1.00 0.00 C ATOM 1388 C ILE A 154 9.019 4.106 -5.312 1.00 0.00 C ATOM 1389 O ILE A 154 9.339 3.039 -5.836 1.00 0.00 O ATOM 1390 CB ILE A 154 8.462 3.757 -2.904 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.377 3.868 -1.831 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.669 4.608 -2.535 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.828 3.395 -0.466 1.00 0.00 C ATOM 0 H ILE A 154 6.457 2.703 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 154 7.546 5.212 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 154 8.781 2.716 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.054 4.906 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.510 3.285 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.052 4.294 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.446 4.484 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.374 5.656 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 154 7.009 3.502 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.124 2.348 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.676 3.994 -0.135 1.00 0.00 H new