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 109 SER OG : rot 180:sc= 0.0322 USER MOD Set 1.2: A 125 THR OG1 : rot 133:sc= 0.03 USER MOD Set 2.1: A 84 GLN : amide:sc= -0.0742 X(o=-3.6,f=-3.8) USER MOD Set 2.2: A 123 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.921 X(o=-0.92,f=-1.1) USER MOD Single : A 91 HIS : no HE2:sc= 0.831 K(o=0.83,f=-6!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.38) USER MOD Single : A 104 TYR OH : rot 165:sc= -0.0232 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.458 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 114 ASN : amide:sc= -0.0836 X(o=-0.084,f=-0.084) USER MOD Single : A 115 THR OG1 : rot -49:sc= 0.67 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot -150:sc= 0 USER MOD Single : A 126 TYR OH : rot -2:sc= 1.2 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN :FLIP amide:sc= -0.591 F(o=-3.8!,f=-0.59) USER MOD Single : A 134 GLN : amide:sc= -2.01 K(o=-2,f=-5.5!) USER MOD Single : A 138 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.495) USER MOD Single : A 140 ASN : amide:sc= -1.92! C(o=-1.9!,f=-5!) USER MOD Single : A 143 GLN : amide:sc= -3.84! C(o=-3.8!,f=-6.6!) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= -0.258 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.150 -1.701 -3.288 1.00 0.00 N ATOM 238 CA LYS A 82 8.493 -1.255 -2.065 1.00 0.00 C ATOM 239 C LYS A 82 7.244 -0.441 -2.384 1.00 0.00 C ATOM 240 O LYS A 82 7.096 0.081 -3.490 1.00 0.00 O ATOM 241 CB LYS A 82 9.457 -0.420 -1.219 1.00 0.00 C ATOM 242 CG LYS A 82 9.089 -0.371 0.253 1.00 0.00 C ATOM 243 CD LYS A 82 10.319 -0.221 1.132 1.00 0.00 C ATOM 244 CE LYS A 82 10.889 1.188 1.056 1.00 0.00 C ATOM 245 NZ LYS A 82 11.697 1.524 2.261 1.00 0.00 N ATOM 0 HA LYS A 82 8.195 -2.138 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.463 -0.828 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.485 0.596 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.410 0.463 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.555 -1.281 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.060 -0.455 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.078 -0.939 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.510 1.281 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.074 1.905 0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.068 2.491 2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.099 1.460 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.490 0.856 2.345 1.00 0.00 H new ATOM 259 N LEU A 83 6.348 -0.334 -1.408 1.00 0.00 N ATOM 260 CA LEU A 83 5.111 0.420 -1.585 1.00 0.00 C ATOM 261 C LEU A 83 4.847 1.322 -0.383 1.00 0.00 C ATOM 262 O LEU A 83 5.107 0.942 0.758 1.00 0.00 O ATOM 263 CB LEU A 83 3.934 -0.536 -1.788 1.00 0.00 C ATOM 264 CG LEU A 83 3.895 -1.277 -3.125 1.00 0.00 C ATOM 265 CD1 LEU A 83 2.992 -2.498 -3.032 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.426 -0.349 -4.236 1.00 0.00 C ATOM 0 H LEU A 83 6.455 -0.759 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 83 5.219 1.047 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.949 -1.274 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.009 0.031 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 83 4.904 -1.613 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.976 -3.013 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.371 -3.173 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.981 -2.184 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.405 -0.893 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.426 0.018 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.111 0.494 -4.319 1.00 0.00 H new ATOM 278 N GLN A 84 4.327 2.516 -0.649 1.00 0.00 N ATOM 279 CA GLN A 84 4.027 3.471 0.411 1.00 0.00 C ATOM 280 C GLN A 84 2.522 3.685 0.539 1.00 0.00 C ATOM 281 O GLN A 84 1.854 4.054 -0.427 1.00 0.00 O ATOM 282 CB GLN A 84 4.723 4.805 0.137 1.00 0.00 C ATOM 283 CG GLN A 84 4.269 5.928 1.055 1.00 0.00 C ATOM 284 CD GLN A 84 5.263 7.071 1.115 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.948 8.202 0.746 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.472 6.780 1.582 1.00 0.00 N ATOM 0 H GLN A 84 4.105 2.845 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 84 4.399 3.063 1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.800 4.672 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.539 5.096 -0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.306 6.306 0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.116 5.532 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.689 5.828 1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.183 7.509 1.646 1.00 0.00 H new ATOM 295 N ILE A 85 1.996 3.452 1.737 1.00 0.00 N ATOM 296 CA ILE A 85 0.571 3.621 1.991 1.00 0.00 C ATOM 297 C ILE A 85 0.310 4.836 2.874 1.00 0.00 C ATOM 298 O ILE A 85 0.983 5.037 3.886 1.00 0.00 O ATOM 299 CB ILE A 85 -0.033 2.373 2.662 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.422 1.106 1.936 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.552 2.464 2.680 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.157 -0.164 2.714 1.00 0.00 C ATOM 0 H ILE A 85 2.535 3.146 2.547 1.00 0.00 H new ATOM 0 HA ILE A 85 0.093 3.770 1.023 1.00 0.00 H new ATOM 0 HB ILE A 85 0.321 2.325 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.086 1.046 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.490 1.179 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.964 1.575 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.857 3.350 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.925 2.533 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.505 -1.022 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.688 -0.125 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.913 -0.261 2.899 1.00 0.00 H new ATOM 314 N ARG A 86 -0.672 5.644 2.486 1.00 0.00 N ATOM 315 CA ARG A 86 -1.022 6.839 3.242 1.00 0.00 C ATOM 316 C ARG A 86 -2.532 6.931 3.445 1.00 0.00 C ATOM 317 O ARG A 86 -3.276 6.032 3.056 1.00 0.00 O ATOM 318 CB ARG A 86 -0.517 8.091 2.522 1.00 0.00 C ATOM 319 CG ARG A 86 0.949 8.016 2.127 1.00 0.00 C ATOM 320 CD ARG A 86 1.267 8.966 0.983 1.00 0.00 C ATOM 321 NE ARG A 86 0.971 8.373 -0.319 1.00 0.00 N ATOM 322 CZ ARG A 86 0.842 9.080 -1.436 1.00 0.00 C ATOM 323 NH1 ARG A 86 0.983 10.398 -1.410 1.00 0.00 N ATOM 324 NH2 ARG A 86 0.571 8.469 -2.582 1.00 0.00 N ATOM 0 H ARG A 86 -1.239 5.492 1.652 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.544 6.773 4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.118 8.253 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.667 8.957 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.572 8.260 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.196 6.996 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.691 9.884 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.320 9.243 1.024 1.00 0.00 H new ATOM 0 HE ARG A 86 0.857 7.361 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.191 10.871 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.883 10.939 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.461 7.455 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.472 9.013 -3.439 1.00 0.00 H new ATOM 338 N ASN A 87 -2.976 8.024 4.058 1.00 0.00 N ATOM 339 CA ASN A 87 -4.396 8.233 4.314 1.00 0.00 C ATOM 340 C ASN A 87 -4.935 7.183 5.281 1.00 0.00 C ATOM 341 O ASN A 87 -6.116 6.837 5.243 1.00 0.00 O ATOM 342 CB ASN A 87 -5.184 8.186 3.003 1.00 0.00 C ATOM 343 CG ASN A 87 -5.339 9.557 2.373 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.367 10.300 2.230 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.564 9.898 1.992 1.00 0.00 N ATOM 0 H ASN A 87 -2.373 8.778 4.386 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.517 9.216 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.679 7.522 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.170 7.761 3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.729 10.808 1.561 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.340 9.250 2.130 1.00 0.00 H new ATOM 352 N ILE A 88 -4.061 6.682 6.148 1.00 0.00 N ATOM 353 CA ILE A 88 -4.449 5.673 7.126 1.00 0.00 C ATOM 354 C ILE A 88 -4.985 6.320 8.399 1.00 0.00 C ATOM 355 O ILE A 88 -4.369 7.215 8.978 1.00 0.00 O ATOM 356 CB ILE A 88 -3.267 4.756 7.489 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.975 3.787 6.341 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.562 3.992 8.771 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.611 3.137 6.431 1.00 0.00 C ATOM 0 H ILE A 88 -3.080 6.958 6.193 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.235 5.074 6.666 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.384 5.374 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.739 3.010 6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.051 4.323 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.717 3.348 9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.726 4.698 9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.455 3.382 8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.472 2.463 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.839 3.907 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.538 2.572 7.360 1.00 0.00 H new ATOM 371 N PRO A 89 -6.161 5.856 8.849 1.00 0.00 N ATOM 372 CA PRO A 89 -6.805 6.373 10.060 1.00 0.00 C ATOM 373 C PRO A 89 -6.054 5.982 11.328 1.00 0.00 C ATOM 374 O PRO A 89 -5.678 4.826 11.524 1.00 0.00 O ATOM 375 CB PRO A 89 -8.188 5.718 10.034 1.00 0.00 C ATOM 376 CG PRO A 89 -8.002 4.472 9.238 1.00 0.00 C ATOM 377 CD PRO A 89 -6.951 4.791 8.210 1.00 0.00 C ATOM 0 HA PRO A 89 -6.835 7.463 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.540 5.495 11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.928 6.374 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.687 3.645 9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.935 4.170 8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.338 3.920 7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.395 5.127 7.273 1.00 0.00 H new ATOM 385 N PRO A 90 -5.830 6.966 12.211 1.00 0.00 N ATOM 386 CA PRO A 90 -5.123 6.748 13.477 1.00 0.00 C ATOM 387 C PRO A 90 -5.939 5.917 14.461 1.00 0.00 C ATOM 388 O PRO A 90 -5.505 5.664 15.586 1.00 0.00 O ATOM 389 CB PRO A 90 -4.916 8.165 14.017 1.00 0.00 C ATOM 390 CG PRO A 90 -6.008 8.969 13.400 1.00 0.00 C ATOM 391 CD PRO A 90 -6.250 8.367 12.043 1.00 0.00 C ATOM 0 HA PRO A 90 -4.196 6.192 13.335 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.975 8.186 15.105 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.935 8.554 13.743 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.911 8.933 14.009 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.721 10.017 13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.298 8.440 11.752 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.669 8.871 11.271 1.00 0.00 H new ATOM 399 N HIS A 91 -7.124 5.494 14.032 1.00 0.00 N ATOM 400 CA HIS A 91 -8.001 4.691 14.876 1.00 0.00 C ATOM 401 C HIS A 91 -7.700 3.204 14.711 1.00 0.00 C ATOM 402 O HIS A 91 -7.785 2.433 15.668 1.00 0.00 O ATOM 403 CB HIS A 91 -9.465 4.967 14.535 1.00 0.00 C ATOM 404 CG HIS A 91 -9.760 6.415 14.288 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.713 6.846 13.389 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.221 7.533 14.829 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.747 8.167 13.387 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.852 8.608 14.252 1.00 0.00 N ATOM 0 H HIS A 91 -7.499 5.694 13.105 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.819 4.968 15.914 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.738 4.393 13.649 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.093 4.611 15.352 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.300 6.240 12.815 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.441 7.572 15.575 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.396 8.781 12.781 1.00 0.00 H new ATOM 416 N LEU A 92 -7.349 2.808 13.493 1.00 0.00 N ATOM 417 CA LEU A 92 -7.036 1.413 13.203 1.00 0.00 C ATOM 418 C LEU A 92 -5.833 0.944 14.015 1.00 0.00 C ATOM 419 O LEU A 92 -4.988 1.747 14.409 1.00 0.00 O ATOM 420 CB LEU A 92 -6.759 1.232 11.709 1.00 0.00 C ATOM 421 CG LEU A 92 -6.717 -0.211 11.204 1.00 0.00 C ATOM 422 CD1 LEU A 92 -8.074 -0.626 10.659 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.641 -0.372 10.141 1.00 0.00 C ATOM 0 H LEU A 92 -7.274 3.433 12.690 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.898 0.807 13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.525 1.769 11.150 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.805 1.705 11.477 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.472 -0.862 12.043 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.024 -1.656 10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.822 -0.550 11.448 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.350 0.029 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.625 -1.405 9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.856 0.290 9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.670 -0.117 10.565 1.00 0.00 H new ATOM 435 N GLN A 93 -5.763 -0.361 14.260 1.00 0.00 N ATOM 436 CA GLN A 93 -4.663 -0.936 15.024 1.00 0.00 C ATOM 437 C GLN A 93 -3.681 -1.657 14.106 1.00 0.00 C ATOM 438 O GLN A 93 -4.060 -2.159 13.048 1.00 0.00 O ATOM 439 CB GLN A 93 -5.198 -1.905 16.079 1.00 0.00 C ATOM 440 CG GLN A 93 -5.696 -1.217 17.340 1.00 0.00 C ATOM 441 CD GLN A 93 -5.801 -2.164 18.519 1.00 0.00 C ATOM 442 OE1 GLN A 93 -5.958 -3.373 18.347 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.714 -1.619 19.727 1.00 0.00 N ATOM 0 H GLN A 93 -6.455 -1.039 13.940 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.136 -0.122 15.522 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.012 -2.487 15.647 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.410 -2.609 16.346 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.021 -0.400 17.594 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.673 -0.775 17.146 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.584 -0.612 19.824 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.777 -2.207 20.558 1.00 0.00 H new ATOM 452 N TRP A 94 -2.419 -1.705 14.518 1.00 0.00 N ATOM 453 CA TRP A 94 -1.383 -2.364 13.732 1.00 0.00 C ATOM 454 C TRP A 94 -1.713 -3.838 13.525 1.00 0.00 C ATOM 455 O TRP A 94 -1.794 -4.311 12.391 1.00 0.00 O ATOM 456 CB TRP A 94 -0.025 -2.225 14.422 1.00 0.00 C ATOM 457 CG TRP A 94 1.132 -2.264 13.469 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.811 -3.372 13.050 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.745 -1.145 12.820 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.810 -3.009 12.179 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.789 -1.648 12.020 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.511 0.233 12.833 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.598 -0.821 11.245 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.315 1.052 12.064 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.347 0.523 11.278 1.00 0.00 C ATOM 0 H TRP A 94 -2.089 -1.295 15.392 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.338 -1.880 12.756 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.000 -1.285 14.974 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.087 -3.027 15.152 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.595 -4.384 13.358 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.462 -3.649 11.725 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.716 0.650 13.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.395 -1.226 10.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.145 2.119 12.069 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.957 1.190 10.686 1.00 0.00 H new ATOM 476 N GLU A 95 -1.902 -4.559 14.626 1.00 0.00 N ATOM 477 CA GLU A 95 -2.222 -5.980 14.562 1.00 0.00 C ATOM 478 C GLU A 95 -3.167 -6.273 13.400 1.00 0.00 C ATOM 479 O GLU A 95 -3.046 -7.300 12.731 1.00 0.00 O ATOM 480 CB GLU A 95 -2.854 -6.443 15.876 1.00 0.00 C ATOM 481 CG GLU A 95 -4.089 -5.649 16.270 1.00 0.00 C ATOM 482 CD GLU A 95 -4.687 -6.115 17.583 1.00 0.00 C ATOM 483 OE1 GLU A 95 -3.955 -6.139 18.594 1.00 0.00 O ATOM 484 OE2 GLU A 95 -5.889 -6.455 17.599 1.00 0.00 O ATOM 0 H GLU A 95 -1.839 -4.183 15.572 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.294 -6.528 14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.122 -7.496 15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.114 -6.367 16.672 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.828 -4.594 16.348 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.838 -5.735 15.483 1.00 0.00 H new ATOM 491 N VAL A 96 -4.107 -5.364 13.165 1.00 0.00 N ATOM 492 CA VAL A 96 -5.072 -5.523 12.084 1.00 0.00 C ATOM 493 C VAL A 96 -4.467 -5.123 10.743 1.00 0.00 C ATOM 494 O VAL A 96 -4.737 -5.747 9.716 1.00 0.00 O ATOM 495 CB VAL A 96 -6.339 -4.683 12.334 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.277 -4.762 11.139 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.040 -5.143 13.604 1.00 0.00 C ATOM 0 H VAL A 96 -4.221 -4.509 13.709 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.344 -6.578 12.056 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.044 -3.642 12.465 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.166 -4.163 11.334 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.770 -4.381 10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.568 -5.799 10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.933 -4.539 13.766 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.324 -6.191 13.504 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.366 -5.029 14.453 1.00 0.00 H new ATOM 507 N LEU A 97 -3.646 -4.079 10.760 1.00 0.00 N ATOM 508 CA LEU A 97 -3.000 -3.594 9.544 1.00 0.00 C ATOM 509 C LEU A 97 -2.070 -4.654 8.962 1.00 0.00 C ATOM 510 O LEU A 97 -2.162 -4.994 7.783 1.00 0.00 O ATOM 511 CB LEU A 97 -2.215 -2.314 9.836 1.00 0.00 C ATOM 512 CG LEU A 97 -1.727 -1.533 8.616 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.906 -1.018 7.805 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.829 -0.382 9.043 1.00 0.00 C ATOM 0 H LEU A 97 -3.412 -3.552 11.601 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.777 -3.377 8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.843 -1.656 10.437 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.350 -2.573 10.446 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.146 -2.207 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.539 -0.465 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.511 -1.860 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.515 -0.360 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.491 0.162 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.386 0.292 9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.035 -0.774 9.580 1.00 0.00 H new ATOM 526 N ASP A 98 -1.177 -5.173 9.798 1.00 0.00 N ATOM 527 CA ASP A 98 -0.232 -6.196 9.367 1.00 0.00 C ATOM 528 C ASP A 98 -0.920 -7.236 8.488 1.00 0.00 C ATOM 529 O ASP A 98 -0.446 -7.550 7.396 1.00 0.00 O ATOM 530 CB ASP A 98 0.403 -6.877 10.581 1.00 0.00 C ATOM 531 CG ASP A 98 1.801 -7.388 10.293 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.623 -6.605 9.773 1.00 0.00 O ATOM 533 OD2 ASP A 98 2.072 -8.572 10.586 1.00 0.00 O ATOM 0 H ASP A 98 -1.088 -4.902 10.777 1.00 0.00 H new ATOM 0 HA ASP A 98 0.549 -5.711 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.441 -6.171 11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.226 -7.708 10.898 1.00 0.00 H new ATOM 538 N SER A 99 -2.039 -7.765 8.971 1.00 0.00 N ATOM 539 CA SER A 99 -2.790 -8.773 8.231 1.00 0.00 C ATOM 540 C SER A 99 -3.303 -8.206 6.911 1.00 0.00 C ATOM 541 O SER A 99 -3.214 -8.854 5.867 1.00 0.00 O ATOM 542 CB SER A 99 -3.962 -9.285 9.070 1.00 0.00 C ATOM 543 OG SER A 99 -3.507 -9.883 10.271 1.00 0.00 O ATOM 0 H SER A 99 -2.446 -7.513 9.872 1.00 0.00 H new ATOM 0 HA SER A 99 -2.119 -9.604 8.013 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.634 -8.459 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.536 -10.010 8.494 1.00 0.00 H new ATOM 0 HG SER A 99 -4.275 -10.200 10.790 1.00 0.00 H new ATOM 549 N LEU A 100 -3.842 -6.993 6.964 1.00 0.00 N ATOM 550 CA LEU A 100 -4.371 -6.337 5.774 1.00 0.00 C ATOM 551 C LEU A 100 -3.344 -6.347 4.645 1.00 0.00 C ATOM 552 O LEU A 100 -3.698 -6.463 3.471 1.00 0.00 O ATOM 553 CB LEU A 100 -4.777 -4.899 6.098 1.00 0.00 C ATOM 554 CG LEU A 100 -6.130 -4.722 6.788 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.211 -3.362 7.463 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.265 -4.892 5.788 1.00 0.00 C ATOM 0 H LEU A 100 -3.924 -6.444 7.819 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.251 -6.890 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.008 -4.460 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.788 -4.328 5.170 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.229 -5.491 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.181 -3.254 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.420 -3.278 8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.090 -2.577 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.220 -4.763 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.170 -4.146 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.219 -5.890 5.351 1.00 0.00 H new ATOM 568 N LEU A 101 -2.072 -6.225 5.009 1.00 0.00 N ATOM 569 CA LEU A 101 -0.993 -6.222 4.028 1.00 0.00 C ATOM 570 C LEU A 101 -0.555 -7.644 3.696 1.00 0.00 C ATOM 571 O LEU A 101 -0.328 -7.980 2.533 1.00 0.00 O ATOM 572 CB LEU A 101 0.198 -5.418 4.553 1.00 0.00 C ATOM 573 CG LEU A 101 -0.142 -4.158 5.350 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.104 -3.598 6.019 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.782 -3.113 4.448 1.00 0.00 C ATOM 0 H LEU A 101 -1.763 -6.127 5.976 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.365 -5.755 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.802 -6.071 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.819 -5.131 3.705 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.858 -4.424 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.843 -2.702 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.519 -4.344 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.843 -3.347 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.017 -2.223 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.090 -2.850 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.698 -3.517 4.017 1.00 0.00 H new ATOM 587 N VAL A 102 -0.439 -8.478 4.725 1.00 0.00 N ATOM 588 CA VAL A 102 -0.031 -9.866 4.542 1.00 0.00 C ATOM 589 C VAL A 102 -1.088 -10.653 3.777 1.00 0.00 C ATOM 590 O VAL A 102 -0.794 -11.688 3.180 1.00 0.00 O ATOM 591 CB VAL A 102 0.230 -10.557 5.894 1.00 0.00 C ATOM 592 CG1 VAL A 102 -1.041 -11.213 6.412 1.00 0.00 C ATOM 593 CG2 VAL A 102 1.351 -11.577 5.763 1.00 0.00 C ATOM 0 H VAL A 102 -0.622 -8.216 5.694 1.00 0.00 H new ATOM 0 HA VAL A 102 0.894 -9.851 3.966 1.00 0.00 H new ATOM 0 HB VAL A 102 0.540 -9.801 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.838 -11.696 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.813 -10.455 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.384 -11.958 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.522 -12.055 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.072 -12.332 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.263 -11.076 5.440 1.00 0.00 H new ATOM 603 N GLN A 103 -2.320 -10.155 3.799 1.00 0.00 N ATOM 604 CA GLN A 103 -3.422 -10.813 3.106 1.00 0.00 C ATOM 605 C GLN A 103 -3.221 -10.766 1.595 1.00 0.00 C ATOM 606 O GLN A 103 -3.365 -11.777 0.908 1.00 0.00 O ATOM 607 CB GLN A 103 -4.752 -10.154 3.477 1.00 0.00 C ATOM 608 CG GLN A 103 -5.423 -10.778 4.690 1.00 0.00 C ATOM 609 CD GLN A 103 -6.278 -11.977 4.330 1.00 0.00 C ATOM 610 OE1 GLN A 103 -7.064 -11.932 3.383 1.00 0.00 O ATOM 611 NE2 GLN A 103 -6.130 -13.058 5.087 1.00 0.00 N ATOM 0 H GLN A 103 -2.580 -9.299 4.289 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.443 -11.857 3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.581 -9.095 3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.429 -10.217 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.660 -11.082 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.043 -10.029 5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.467 -13.051 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.680 -13.895 4.894 1.00 0.00 H new ATOM 620 N TYR A 104 -2.890 -9.585 1.085 1.00 0.00 N ATOM 621 CA TYR A 104 -2.672 -9.405 -0.346 1.00 0.00 C ATOM 622 C TYR A 104 -1.641 -10.401 -0.870 1.00 0.00 C ATOM 623 O TYR A 104 -1.931 -11.205 -1.754 1.00 0.00 O ATOM 624 CB TYR A 104 -2.212 -7.976 -0.637 1.00 0.00 C ATOM 625 CG TYR A 104 -3.264 -6.930 -0.346 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.272 -6.656 -1.261 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.249 -6.216 0.846 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.235 -5.700 -0.999 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.208 -5.259 1.117 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.199 -5.005 0.191 1.00 0.00 C ATOM 631 OH TYR A 104 -6.156 -4.053 0.457 1.00 0.00 O ATOM 0 H TYR A 104 -2.767 -8.738 1.640 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.617 -9.586 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.324 -7.761 -0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -1.920 -7.904 -1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.304 -7.200 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.475 -6.412 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.011 -5.499 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.182 -4.713 2.048 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.139 -3.830 1.411 1.00 0.00 H new ATOM 641 N GLY A 105 -0.434 -10.339 -0.315 1.00 0.00 N ATOM 642 CA GLY A 105 0.623 -11.240 -0.737 1.00 0.00 C ATOM 643 C GLY A 105 1.640 -11.493 0.357 1.00 0.00 C ATOM 644 O GLY A 105 1.323 -11.401 1.543 1.00 0.00 O ATOM 0 H GLY A 105 -0.170 -9.682 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.185 -12.188 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.127 -10.821 -1.608 1.00 0.00 H new ATOM 648 N VAL A 106 2.867 -11.814 -0.041 1.00 0.00 N ATOM 649 CA VAL A 106 3.935 -12.082 0.915 1.00 0.00 C ATOM 650 C VAL A 106 4.697 -10.807 1.260 1.00 0.00 C ATOM 651 O VAL A 106 5.662 -10.446 0.586 1.00 0.00 O ATOM 652 CB VAL A 106 4.927 -13.128 0.371 1.00 0.00 C ATOM 653 CG1 VAL A 106 6.080 -13.326 1.342 1.00 0.00 C ATOM 654 CG2 VAL A 106 4.215 -14.445 0.099 1.00 0.00 C ATOM 0 H VAL A 106 3.146 -11.895 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 106 3.462 -12.474 1.815 1.00 0.00 H new ATOM 0 HB VAL A 106 5.336 -12.761 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.770 -14.068 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.605 -12.381 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.693 -13.671 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.930 -15.173 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.777 -14.820 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.427 -14.287 -0.638 1.00 0.00 H new ATOM 664 N VAL A 107 4.257 -10.128 2.315 1.00 0.00 N ATOM 665 CA VAL A 107 4.898 -8.894 2.751 1.00 0.00 C ATOM 666 C VAL A 107 6.252 -9.174 3.393 1.00 0.00 C ATOM 667 O VAL A 107 6.334 -9.482 4.582 1.00 0.00 O ATOM 668 CB VAL A 107 4.016 -8.127 3.754 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.836 -8.933 5.032 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.615 -6.762 4.055 1.00 0.00 C ATOM 0 H VAL A 107 3.459 -10.412 2.883 1.00 0.00 H new ATOM 0 HA VAL A 107 5.041 -8.281 1.861 1.00 0.00 H new ATOM 0 HB VAL A 107 3.034 -7.976 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.210 -8.375 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.359 -9.885 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.810 -9.117 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.979 -6.234 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.610 -6.887 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.686 -6.185 3.133 1.00 0.00 H new ATOM 680 N GLU A 108 7.312 -9.066 2.598 1.00 0.00 N ATOM 681 CA GLU A 108 8.663 -9.309 3.089 1.00 0.00 C ATOM 682 C GLU A 108 8.913 -8.552 4.390 1.00 0.00 C ATOM 683 O GLU A 108 9.249 -9.148 5.413 1.00 0.00 O ATOM 684 CB GLU A 108 9.695 -8.894 2.038 1.00 0.00 C ATOM 685 CG GLU A 108 10.968 -9.723 2.074 1.00 0.00 C ATOM 686 CD GLU A 108 11.654 -9.681 3.426 1.00 0.00 C ATOM 687 OE1 GLU A 108 11.234 -10.438 4.326 1.00 0.00 O ATOM 688 OE2 GLU A 108 12.608 -8.892 3.583 1.00 0.00 O ATOM 0 H GLU A 108 7.261 -8.812 1.611 1.00 0.00 H new ATOM 0 HA GLU A 108 8.764 -10.377 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.246 -8.976 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.950 -7.845 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.731 -10.757 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.656 -9.359 1.310 1.00 0.00 H new ATOM 695 N SER A 109 8.747 -7.234 4.342 1.00 0.00 N ATOM 696 CA SER A 109 8.959 -6.394 5.515 1.00 0.00 C ATOM 697 C SER A 109 7.958 -5.242 5.546 1.00 0.00 C ATOM 698 O SER A 109 7.435 -4.831 4.509 1.00 0.00 O ATOM 699 CB SER A 109 10.386 -5.844 5.524 1.00 0.00 C ATOM 700 OG SER A 109 10.454 -4.591 4.865 1.00 0.00 O ATOM 0 H SER A 109 8.466 -6.725 3.504 1.00 0.00 H new ATOM 0 HA SER A 109 8.808 -7.008 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.731 -5.737 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.055 -6.552 5.035 1.00 0.00 H new ATOM 0 HG SER A 109 11.376 -4.260 4.886 1.00 0.00 H new ATOM 706 N CYS A 110 7.696 -4.727 6.742 1.00 0.00 N ATOM 707 CA CYS A 110 6.757 -3.623 6.910 1.00 0.00 C ATOM 708 C CYS A 110 7.404 -2.470 7.671 1.00 0.00 C ATOM 709 O CYS A 110 7.423 -2.460 8.901 1.00 0.00 O ATOM 710 CB CYS A 110 5.505 -4.099 7.649 1.00 0.00 C ATOM 711 SG CYS A 110 4.265 -2.809 7.907 1.00 0.00 S ATOM 0 H CYS A 110 8.120 -5.056 7.609 1.00 0.00 H new ATOM 0 HA CYS A 110 6.472 -3.267 5.920 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.053 -4.916 7.086 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.800 -4.504 8.617 1.00 0.00 H new ATOM 0 HG CYS A 110 3.244 -3.309 8.538 1.00 0.00 H new ATOM 717 N GLU A 111 7.934 -1.503 6.929 1.00 0.00 N ATOM 718 CA GLU A 111 8.584 -0.346 7.535 1.00 0.00 C ATOM 719 C GLU A 111 7.570 0.755 7.831 1.00 0.00 C ATOM 720 O GLU A 111 6.504 0.811 7.219 1.00 0.00 O ATOM 721 CB GLU A 111 9.682 0.190 6.614 1.00 0.00 C ATOM 722 CG GLU A 111 10.643 1.144 7.303 1.00 0.00 C ATOM 723 CD GLU A 111 11.998 1.197 6.626 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.853 0.342 6.939 1.00 0.00 O ATOM 725 OE2 GLU A 111 12.204 2.094 5.782 1.00 0.00 O ATOM 0 H GLU A 111 7.926 -1.497 5.909 1.00 0.00 H new ATOM 0 HA GLU A 111 9.033 -0.665 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.246 -0.650 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.219 0.701 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.209 2.144 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.771 0.837 8.341 1.00 0.00 H new ATOM 732 N GLN A 112 7.911 1.628 8.773 1.00 0.00 N ATOM 733 CA GLN A 112 7.030 2.726 9.152 1.00 0.00 C ATOM 734 C GLN A 112 7.518 4.044 8.559 1.00 0.00 C ATOM 735 O GLN A 112 8.717 4.242 8.361 1.00 0.00 O ATOM 736 CB GLN A 112 6.945 2.839 10.675 1.00 0.00 C ATOM 737 CG GLN A 112 5.695 3.552 11.163 1.00 0.00 C ATOM 738 CD GLN A 112 5.493 3.416 12.660 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.420 3.076 13.395 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.276 3.683 13.120 1.00 0.00 N ATOM 0 H GLN A 112 8.791 1.596 9.288 1.00 0.00 H new ATOM 0 HA GLN A 112 6.037 2.515 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.975 1.839 11.107 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.823 3.371 11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.759 4.609 10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.825 3.149 10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.537 3.962 12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.081 3.609 14.118 1.00 0.00 H new ATOM 749 N VAL A 113 6.581 4.943 8.276 1.00 0.00 N ATOM 750 CA VAL A 113 6.916 6.243 7.707 1.00 0.00 C ATOM 751 C VAL A 113 5.926 7.311 8.156 1.00 0.00 C ATOM 752 O VAL A 113 4.822 7.001 8.603 1.00 0.00 O ATOM 753 CB VAL A 113 6.936 6.193 6.167 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.421 7.516 5.596 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.807 5.043 5.684 1.00 0.00 C ATOM 0 H VAL A 113 5.584 4.795 8.431 1.00 0.00 H new ATOM 0 HA VAL A 113 7.912 6.500 8.068 1.00 0.00 H new ATOM 0 HB VAL A 113 5.919 6.023 5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.428 7.462 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.753 8.316 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.429 7.720 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.810 5.022 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.825 5.180 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.410 4.102 6.064 1.00 0.00 H new ATOM 765 N ASN A 114 6.328 8.572 8.035 1.00 0.00 N ATOM 766 CA ASN A 114 5.476 9.688 8.429 1.00 0.00 C ATOM 767 C ASN A 114 5.435 10.753 7.337 1.00 0.00 C ATOM 768 O ASN A 114 6.459 11.342 6.989 1.00 0.00 O ATOM 769 CB ASN A 114 5.977 10.302 9.738 1.00 0.00 C ATOM 770 CG ASN A 114 6.663 9.285 10.628 1.00 0.00 C ATOM 771 OD1 ASN A 114 6.009 8.452 11.257 1.00 0.00 O ATOM 772 ND2 ASN A 114 7.988 9.348 10.687 1.00 0.00 N ATOM 0 H ASN A 114 7.239 8.847 7.667 1.00 0.00 H new ATOM 0 HA ASN A 114 4.466 9.307 8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.671 11.112 9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.137 10.742 10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.504 8.690 11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.489 10.055 10.149 1.00 0.00 H new ATOM 779 N THR A 115 4.243 10.997 6.800 1.00 0.00 N ATOM 780 CA THR A 115 4.068 11.990 5.748 1.00 0.00 C ATOM 781 C THR A 115 3.728 13.356 6.333 1.00 0.00 C ATOM 782 O THR A 115 3.214 14.231 5.635 1.00 0.00 O ATOM 783 CB THR A 115 2.958 11.576 4.764 1.00 0.00 C ATOM 784 OG1 THR A 115 2.977 12.431 3.615 1.00 0.00 O ATOM 785 CG2 THR A 115 1.592 11.642 5.429 1.00 0.00 C ATOM 0 H THR A 115 3.385 10.520 7.077 1.00 0.00 H new ATOM 0 HA THR A 115 5.015 12.052 5.211 1.00 0.00 H new ATOM 0 HB THR A 115 3.144 10.548 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.000 13.367 3.904 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.825 11.345 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.571 10.967 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.400 12.661 5.765 1.00 0.00 H new ATOM 793 N ASP A 116 4.018 13.534 7.618 1.00 0.00 N ATOM 794 CA ASP A 116 3.744 14.795 8.296 1.00 0.00 C ATOM 795 C ASP A 116 2.270 15.168 8.176 1.00 0.00 C ATOM 796 O ASP A 116 1.932 16.298 7.823 1.00 0.00 O ATOM 797 CB ASP A 116 4.614 15.911 7.715 1.00 0.00 C ATOM 798 CG ASP A 116 5.960 16.014 8.405 1.00 0.00 C ATOM 799 OD1 ASP A 116 6.055 15.612 9.584 1.00 0.00 O ATOM 800 OD2 ASP A 116 6.918 16.496 7.766 1.00 0.00 O ATOM 0 H ASP A 116 4.443 12.820 8.210 1.00 0.00 H new ATOM 0 HA ASP A 116 3.984 14.670 9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.767 15.732 6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.089 16.862 7.806 1.00 0.00 H new ATOM 805 N SER A 117 1.396 14.211 8.472 1.00 0.00 N ATOM 806 CA SER A 117 -0.042 14.437 8.392 1.00 0.00 C ATOM 807 C SER A 117 -0.780 13.621 9.449 1.00 0.00 C ATOM 808 O SER A 117 -0.304 12.572 9.881 1.00 0.00 O ATOM 809 CB SER A 117 -0.560 14.076 6.999 1.00 0.00 C ATOM 810 OG SER A 117 -1.895 14.518 6.821 1.00 0.00 O ATOM 0 H SER A 117 1.659 13.271 8.769 1.00 0.00 H new ATOM 0 HA SER A 117 -0.229 15.495 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.080 14.528 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.509 12.996 6.857 1.00 0.00 H new ATOM 0 HG SER A 117 -2.202 14.277 5.922 1.00 0.00 H new ATOM 816 N GLU A 118 -1.945 14.111 9.860 1.00 0.00 N ATOM 817 CA GLU A 118 -2.749 13.427 10.866 1.00 0.00 C ATOM 818 C GLU A 118 -2.717 11.917 10.654 1.00 0.00 C ATOM 819 O GLU A 118 -2.219 11.169 11.496 1.00 0.00 O ATOM 820 CB GLU A 118 -4.193 13.929 10.825 1.00 0.00 C ATOM 821 CG GLU A 118 -4.896 13.874 12.171 1.00 0.00 C ATOM 822 CD GLU A 118 -6.321 14.389 12.107 1.00 0.00 C ATOM 823 OE1 GLU A 118 -7.223 13.598 11.762 1.00 0.00 O ATOM 824 OE2 GLU A 118 -6.533 15.584 12.402 1.00 0.00 O ATOM 0 H GLU A 118 -2.353 14.979 9.512 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.324 13.648 11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.201 14.957 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.756 13.333 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.901 12.846 12.532 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.333 14.463 12.895 1.00 0.00 H new ATOM 831 N THR A 119 -3.253 11.473 9.520 1.00 0.00 N ATOM 832 CA THR A 119 -3.288 10.053 9.197 1.00 0.00 C ATOM 833 C THR A 119 -1.897 9.435 9.281 1.00 0.00 C ATOM 834 O THR A 119 -0.892 10.116 9.084 1.00 0.00 O ATOM 835 CB THR A 119 -3.860 9.812 7.787 1.00 0.00 C ATOM 836 OG1 THR A 119 -3.138 10.591 6.826 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.337 10.172 7.733 1.00 0.00 C ATOM 0 H THR A 119 -3.668 12.077 8.811 1.00 0.00 H new ATOM 0 HA THR A 119 -3.938 9.578 9.931 1.00 0.00 H new ATOM 0 HB THR A 119 -3.752 8.753 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.732 10.825 6.082 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.718 9.994 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.888 9.557 8.445 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.465 11.224 7.988 1.00 0.00 H new ATOM 845 N ALA A 120 -1.847 8.139 9.574 1.00 0.00 N ATOM 846 CA ALA A 120 -0.579 7.429 9.682 1.00 0.00 C ATOM 847 C ALA A 120 -0.065 7.012 8.308 1.00 0.00 C ATOM 848 O ALA A 120 -0.778 7.115 7.310 1.00 0.00 O ATOM 849 CB ALA A 120 -0.730 6.212 10.583 1.00 0.00 C ATOM 0 H ALA A 120 -2.670 7.560 9.741 1.00 0.00 H new ATOM 0 HA ALA A 120 0.152 8.106 10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.225 5.691 10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.044 6.532 11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.479 5.540 10.164 1.00 0.00 H new ATOM 855 N VAL A 121 1.177 6.541 8.264 1.00 0.00 N ATOM 856 CA VAL A 121 1.787 6.108 7.012 1.00 0.00 C ATOM 857 C VAL A 121 2.703 4.910 7.233 1.00 0.00 C ATOM 858 O VAL A 121 3.444 4.853 8.214 1.00 0.00 O ATOM 859 CB VAL A 121 2.595 7.245 6.359 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.261 6.760 5.080 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.700 8.443 6.082 1.00 0.00 C ATOM 0 H VAL A 121 1.781 6.449 9.081 1.00 0.00 H new ATOM 0 HA VAL A 121 0.973 5.821 6.346 1.00 0.00 H new ATOM 0 HB VAL A 121 3.377 7.557 7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.827 7.577 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.935 5.935 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.499 6.420 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.287 9.237 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.896 8.148 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.275 8.804 7.019 1.00 0.00 H new ATOM 871 N VAL A 122 2.647 3.952 6.313 1.00 0.00 N ATOM 872 CA VAL A 122 3.473 2.754 6.405 1.00 0.00 C ATOM 873 C VAL A 122 3.946 2.305 5.027 1.00 0.00 C ATOM 874 O VAL A 122 3.291 2.566 4.019 1.00 0.00 O ATOM 875 CB VAL A 122 2.709 1.596 7.075 1.00 0.00 C ATOM 876 CG1 VAL A 122 3.368 0.264 6.752 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.631 1.811 8.579 1.00 0.00 C ATOM 0 H VAL A 122 2.038 3.982 5.495 1.00 0.00 H new ATOM 0 HA VAL A 122 4.338 3.012 7.017 1.00 0.00 H new ATOM 0 HB VAL A 122 1.693 1.576 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.815 -0.542 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.368 0.110 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.395 0.268 7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.088 0.984 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.638 1.857 8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.110 2.746 8.786 1.00 0.00 H new ATOM 887 N ASN A 123 5.090 1.628 4.992 1.00 0.00 N ATOM 888 CA ASN A 123 5.652 1.143 3.737 1.00 0.00 C ATOM 889 C ASN A 123 5.660 -0.382 3.698 1.00 0.00 C ATOM 890 O ASN A 123 6.248 -1.033 4.563 1.00 0.00 O ATOM 891 CB ASN A 123 7.074 1.677 3.550 1.00 0.00 C ATOM 892 CG ASN A 123 7.093 3.086 2.991 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.049 3.654 2.673 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.286 3.658 2.870 1.00 0.00 N ATOM 0 H ASN A 123 5.645 1.403 5.818 1.00 0.00 H new ATOM 0 HA ASN A 123 5.025 1.506 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.594 1.662 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.622 1.015 2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.362 4.606 2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.126 3.149 3.146 1.00 0.00 H new ATOM 901 N VAL A 124 5.005 -0.947 2.689 1.00 0.00 N ATOM 902 CA VAL A 124 4.937 -2.396 2.537 1.00 0.00 C ATOM 903 C VAL A 124 5.972 -2.891 1.532 1.00 0.00 C ATOM 904 O VAL A 124 6.159 -2.294 0.471 1.00 0.00 O ATOM 905 CB VAL A 124 3.538 -2.848 2.081 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.556 -4.313 1.672 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.515 -2.606 3.181 1.00 0.00 C ATOM 0 H VAL A 124 4.514 -0.424 1.964 1.00 0.00 H new ATOM 0 HA VAL A 124 5.148 -2.827 3.515 1.00 0.00 H new ATOM 0 HB VAL A 124 3.250 -2.257 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.558 -4.614 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.258 -4.453 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.865 -4.924 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.532 -2.931 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.797 -3.170 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.483 -1.543 3.420 1.00 0.00 H new ATOM 917 N THR A 125 6.643 -3.987 1.872 1.00 0.00 N ATOM 918 CA THR A 125 7.659 -4.563 1.001 1.00 0.00 C ATOM 919 C THR A 125 7.368 -6.031 0.712 1.00 0.00 C ATOM 920 O THR A 125 7.704 -6.908 1.507 1.00 0.00 O ATOM 921 CB THR A 125 9.064 -4.442 1.620 1.00 0.00 C ATOM 922 OG1 THR A 125 9.206 -3.174 2.270 1.00 0.00 O ATOM 923 CG2 THR A 125 10.140 -4.595 0.556 1.00 0.00 C ATOM 0 H THR A 125 6.501 -4.494 2.746 1.00 0.00 H new ATOM 0 HA THR A 125 7.631 -4.000 0.068 1.00 0.00 H new ATOM 0 HB THR A 125 9.183 -5.241 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.595 -3.304 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.123 -4.506 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.048 -5.573 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.021 -3.816 -0.197 1.00 0.00 H new ATOM 931 N TYR A 126 6.741 -6.291 -0.430 1.00 0.00 N ATOM 932 CA TYR A 126 6.403 -7.654 -0.823 1.00 0.00 C ATOM 933 C TYR A 126 7.590 -8.338 -1.493 1.00 0.00 C ATOM 934 O TYR A 126 8.543 -7.682 -1.914 1.00 0.00 O ATOM 935 CB TYR A 126 5.201 -7.651 -1.769 1.00 0.00 C ATOM 936 CG TYR A 126 3.910 -7.225 -1.107 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.333 -7.995 -0.106 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.269 -6.051 -1.483 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.153 -7.610 0.501 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.090 -5.657 -0.880 1.00 0.00 C ATOM 941 CZ TYR A 126 1.535 -6.440 0.111 1.00 0.00 C ATOM 942 OH TYR A 126 0.361 -6.052 0.714 1.00 0.00 O ATOM 0 H TYR A 126 6.457 -5.576 -1.100 1.00 0.00 H new ATOM 0 HA TYR A 126 6.147 -8.212 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.409 -6.983 -2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.074 -8.651 -2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.815 -8.911 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.700 -5.436 -2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.717 -8.222 1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.605 -4.741 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 126 0.090 -6.729 1.369 1.00 0.00 H new ATOM 952 N SER A 127 7.525 -9.662 -1.589 1.00 0.00 N ATOM 953 CA SER A 127 8.595 -10.437 -2.206 1.00 0.00 C ATOM 954 C SER A 127 8.440 -10.468 -3.723 1.00 0.00 C ATOM 955 O SER A 127 9.399 -10.243 -4.461 1.00 0.00 O ATOM 956 CB SER A 127 8.603 -11.864 -1.654 1.00 0.00 C ATOM 957 OG SER A 127 9.577 -12.659 -2.308 1.00 0.00 O ATOM 0 H SER A 127 6.743 -10.220 -1.247 1.00 0.00 H new ATOM 0 HA SER A 127 9.543 -9.956 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.806 -11.842 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.618 -12.312 -1.782 1.00 0.00 H new ATOM 0 HG SER A 127 9.563 -13.566 -1.936 1.00 0.00 H new ATOM 963 N SER A 128 7.224 -10.748 -4.182 1.00 0.00 N ATOM 964 CA SER A 128 6.943 -10.812 -5.611 1.00 0.00 C ATOM 965 C SER A 128 6.333 -9.503 -6.104 1.00 0.00 C ATOM 966 O SER A 128 5.842 -8.697 -5.313 1.00 0.00 O ATOM 967 CB SER A 128 5.996 -11.975 -5.914 1.00 0.00 C ATOM 968 OG SER A 128 6.099 -12.377 -7.269 1.00 0.00 O ATOM 0 H SER A 128 6.418 -10.934 -3.585 1.00 0.00 H new ATOM 0 HA SER A 128 7.885 -10.974 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.230 -12.817 -5.263 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.970 -11.679 -5.696 1.00 0.00 H new ATOM 0 HG SER A 128 5.485 -13.122 -7.437 1.00 0.00 H new ATOM 974 N LYS A 129 6.368 -9.299 -7.416 1.00 0.00 N ATOM 975 CA LYS A 129 5.819 -8.089 -8.017 1.00 0.00 C ATOM 976 C LYS A 129 4.295 -8.142 -8.050 1.00 0.00 C ATOM 977 O LYS A 129 3.622 -7.270 -7.499 1.00 0.00 O ATOM 978 CB LYS A 129 6.364 -7.907 -9.436 1.00 0.00 C ATOM 979 CG LYS A 129 7.780 -7.361 -9.478 1.00 0.00 C ATOM 980 CD LYS A 129 8.805 -8.444 -9.186 1.00 0.00 C ATOM 981 CE LYS A 129 9.006 -9.358 -10.386 1.00 0.00 C ATOM 982 NZ LYS A 129 9.803 -10.566 -10.035 1.00 0.00 N ATOM 0 H LYS A 129 6.771 -9.956 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 129 6.123 -7.239 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.338 -8.867 -9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.707 -7.232 -9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 129 7.975 -6.929 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.882 -6.556 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.755 -7.984 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.480 -9.033 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.035 -9.664 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.510 -8.808 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.918 -11.163 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.739 -10.275 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 9.310 -11.104 -9.294 1.00 0.00 H new ATOM 996 N ASP A 130 3.757 -9.169 -8.697 1.00 0.00 N ATOM 997 CA ASP A 130 2.311 -9.336 -8.799 1.00 0.00 C ATOM 998 C ASP A 130 1.638 -9.071 -7.457 1.00 0.00 C ATOM 999 O ASP A 130 0.661 -8.327 -7.379 1.00 0.00 O ATOM 1000 CB ASP A 130 1.973 -10.747 -9.284 1.00 0.00 C ATOM 1001 CG ASP A 130 0.623 -11.223 -8.783 1.00 0.00 C ATOM 1002 OD1 ASP A 130 -0.293 -10.384 -8.659 1.00 0.00 O ATOM 1003 OD2 ASP A 130 0.483 -12.435 -8.516 1.00 0.00 O ATOM 0 H ASP A 130 4.299 -9.899 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 130 1.936 -8.612 -9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 130 1.980 -10.765 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.746 -11.438 -8.949 1.00 0.00 H new ATOM 1008 N GLN A 131 2.166 -9.685 -6.403 1.00 0.00 N ATOM 1009 CA GLN A 131 1.614 -9.516 -5.064 1.00 0.00 C ATOM 1010 C GLN A 131 1.463 -8.038 -4.721 1.00 0.00 C ATOM 1011 O GLN A 131 0.465 -7.627 -4.129 1.00 0.00 O ATOM 1012 CB GLN A 131 2.508 -10.203 -4.031 1.00 0.00 C ATOM 1013 CG GLN A 131 2.353 -11.715 -4.001 1.00 0.00 C ATOM 1014 CD GLN A 131 3.629 -12.425 -3.593 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.372 -11.825 -2.671 1.00 0.00 O flip ATOM 1016 NE2 GLN A 131 3.943 -13.502 -4.101 1.00 0.00 N flip ATOM 0 H GLN A 131 2.975 -10.304 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 131 0.627 -9.978 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.549 -9.957 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.281 -9.803 -3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.556 -11.981 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.047 -12.065 -4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.342 -13.928 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.804 -13.968 -3.816 1.00 0.00 H new ATOM 1025 N ALA A 132 2.460 -7.243 -5.095 1.00 0.00 N ATOM 1026 CA ALA A 132 2.437 -5.811 -4.828 1.00 0.00 C ATOM 1027 C ALA A 132 1.386 -5.110 -5.682 1.00 0.00 C ATOM 1028 O ALA A 132 0.668 -4.232 -5.203 1.00 0.00 O ATOM 1029 CB ALA A 132 3.811 -5.205 -5.075 1.00 0.00 C ATOM 0 H ALA A 132 3.294 -7.567 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 132 2.172 -5.666 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.779 -4.135 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.541 -5.677 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.099 -5.368 -6.113 1.00 0.00 H new ATOM 1035 N ARG A 133 1.303 -5.502 -6.949 1.00 0.00 N ATOM 1036 CA ARG A 133 0.341 -4.910 -7.871 1.00 0.00 C ATOM 1037 C ARG A 133 -1.052 -4.865 -7.248 1.00 0.00 C ATOM 1038 O ARG A 133 -1.722 -3.833 -7.278 1.00 0.00 O ATOM 1039 CB ARG A 133 0.301 -5.702 -9.179 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.785 -5.240 -10.137 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.593 -5.834 -11.524 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.713 -5.529 -12.410 1.00 0.00 N ATOM 1043 CZ ARG A 133 -1.655 -5.640 -13.732 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -0.538 -6.048 -14.319 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -2.717 -5.344 -14.471 1.00 0.00 N ATOM 0 H ARG A 133 1.890 -6.227 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 133 0.659 -3.889 -8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.269 -5.620 -9.673 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.148 -6.757 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.762 -5.529 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.776 -4.152 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.329 -5.448 -11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.479 -6.915 -11.443 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.588 -5.213 -11.991 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.280 -6.278 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.497 -6.132 -15.335 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.579 -5.031 -14.024 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -2.672 -5.430 -15.486 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.480 -5.990 -6.686 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.793 -6.079 -6.058 1.00 0.00 C ATOM 1061 C GLN A 134 -2.880 -5.156 -4.847 1.00 0.00 C ATOM 1062 O GLN A 134 -3.691 -4.230 -4.818 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.084 -7.520 -5.637 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.567 -7.839 -5.545 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.358 -7.282 -6.712 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -5.728 -6.108 -6.722 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.621 -8.124 -7.705 1.00 0.00 N ATOM 0 H GLN A 134 -0.937 -6.853 -6.652 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.539 -5.764 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.618 -8.199 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.620 -7.708 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.700 -8.920 -5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -4.965 -7.433 -4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.295 -9.089 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.149 -7.805 -8.517 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.040 -5.414 -3.850 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.022 -4.605 -2.638 1.00 0.00 C ATOM 1078 C ALA A 135 -2.315 -3.142 -2.950 1.00 0.00 C ATOM 1079 O ALA A 135 -3.178 -2.524 -2.324 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.679 -4.739 -1.934 1.00 0.00 C ATOM 0 H ALA A 135 -1.363 -6.177 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.806 -4.971 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.679 -4.129 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.510 -5.782 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.116 -4.401 -2.599 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.592 -2.592 -3.919 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.773 -1.200 -4.314 1.00 0.00 C ATOM 1088 C LEU A 136 -3.052 -1.027 -5.128 1.00 0.00 C ATOM 1089 O LEU A 136 -3.867 -0.149 -4.844 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.569 -0.718 -5.125 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.731 0.629 -5.830 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.628 1.221 -6.170 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.576 0.476 -7.086 1.00 0.00 C ATOM 0 H LEU A 136 -0.874 -3.089 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.856 -0.599 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.291 -0.656 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.336 -1.473 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.243 1.312 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.492 2.179 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.200 1.368 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.167 0.540 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.681 1.445 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.092 -0.224 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.562 0.097 -6.817 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.221 -1.871 -6.140 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.402 -1.814 -6.993 1.00 0.00 C ATOM 1107 C ASP A 137 -5.676 -1.780 -6.156 1.00 0.00 C ATOM 1108 O ASP A 137 -6.735 -1.371 -6.634 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.431 -3.015 -7.941 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.718 -2.738 -9.249 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.921 -1.643 -9.816 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -2.956 -3.615 -9.707 1.00 0.00 O ATOM 0 H ASP A 137 -2.555 -2.602 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.351 -0.898 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -3.967 -3.871 -7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.466 -3.288 -8.146 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.568 -2.213 -4.905 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.711 -2.233 -4.000 1.00 0.00 C ATOM 1119 C LYS A 138 -6.579 -1.149 -2.934 1.00 0.00 C ATOM 1120 O LYS A 138 -7.417 -0.251 -2.840 1.00 0.00 O ATOM 1121 CB LYS A 138 -6.838 -3.605 -3.334 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.053 -4.741 -4.319 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.485 -4.776 -4.825 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.359 -5.674 -3.963 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.042 -4.910 -2.882 1.00 0.00 N ATOM 0 H LYS A 138 -4.699 -2.555 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.609 -2.036 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -5.936 -3.803 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.670 -3.583 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.371 -4.627 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.812 -5.690 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.894 -3.766 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.499 -5.133 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -10.105 -6.164 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.747 -6.461 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.881 -5.435 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -9.390 -4.781 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.333 -3.980 -3.245 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.523 -1.238 -2.134 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.280 -0.264 -1.075 1.00 0.00 C ATOM 1141 C LEU A 139 -5.348 1.159 -1.619 1.00 0.00 C ATOM 1142 O LEU A 139 -5.820 2.071 -0.941 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.916 -0.512 -0.430 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.759 -1.833 0.324 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.289 -2.200 0.457 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.416 -1.747 1.694 1.00 0.00 C ATOM 0 H LEU A 139 -4.821 -1.975 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.058 -0.382 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.155 -0.469 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.710 0.305 0.262 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.258 -2.617 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.197 -3.143 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.849 -2.305 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.766 -1.416 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.294 -2.696 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.947 -0.952 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.478 -1.532 1.575 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.875 1.341 -2.848 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.883 2.653 -3.484 1.00 0.00 C ATOM 1160 C ASN A 140 -6.268 3.288 -3.402 1.00 0.00 C ATOM 1161 O ASN A 140 -6.408 4.509 -3.472 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.449 2.537 -4.946 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.768 3.786 -5.745 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.929 4.175 -5.871 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.736 4.420 -6.289 1.00 0.00 N ATOM 0 H ASN A 140 -4.481 0.596 -3.423 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.177 3.291 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.377 2.345 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.945 1.680 -5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.889 5.266 -6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.790 4.061 -6.158 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.290 2.451 -3.252 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.650 2.949 -3.162 1.00 0.00 C ATOM 1174 C GLY A 141 -9.445 2.269 -2.064 1.00 0.00 C ATOM 1175 O GLY A 141 -10.672 2.363 -2.027 1.00 0.00 O ATOM 0 H GLY A 141 -7.200 1.437 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.629 4.023 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.153 2.798 -4.117 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.745 1.582 -1.168 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.393 0.882 -0.065 1.00 0.00 C ATOM 1181 C PHE A 142 -9.883 1.867 0.992 1.00 0.00 C ATOM 1182 O PHE A 142 -9.100 2.368 1.798 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.428 -0.123 0.567 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.078 -1.026 1.576 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.582 -0.513 2.761 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.186 -2.387 1.340 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.179 -1.341 3.691 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.783 -3.220 2.267 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.281 -2.696 3.444 1.00 0.00 C ATOM 0 H PHE A 142 -7.729 1.495 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.254 0.346 -0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -7.983 -0.732 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.614 0.420 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.507 0.546 2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -8.799 -2.802 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.566 -0.929 4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -9.860 -4.279 2.071 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.749 -3.345 4.170 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.184 2.140 0.980 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.778 3.066 1.936 1.00 0.00 C ATOM 1201 C GLN A 143 -11.849 2.443 3.326 1.00 0.00 C ATOM 1202 O GLN A 143 -12.484 1.405 3.521 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.178 3.478 1.477 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.711 4.715 2.183 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.482 4.380 3.444 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -14.316 3.305 4.020 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.332 5.303 3.881 1.00 0.00 N ATOM 0 H GLN A 143 -11.846 1.733 0.319 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.144 3.952 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.159 3.663 0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.865 2.649 1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -12.879 5.372 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -14.358 5.267 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.438 6.181 3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -15.878 5.134 4.726 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.194 3.081 4.289 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.182 2.588 5.663 1.00 0.00 C ATOM 1218 C LEU A 144 -11.446 3.721 6.650 1.00 0.00 C ATOM 1219 O LEU A 144 -10.609 4.605 6.832 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.839 1.926 5.976 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.831 0.951 7.154 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.642 0.007 7.057 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.806 1.708 8.473 1.00 0.00 C ATOM 0 H LEU A 144 -10.664 3.941 4.145 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.977 1.849 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.503 1.393 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.107 2.710 6.173 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.745 0.358 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.653 -0.680 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.703 -0.561 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.717 0.584 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.801 0.998 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.910 2.327 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.689 2.342 8.545 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.613 3.686 7.285 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.986 4.709 8.254 1.00 0.00 C ATOM 1237 C GLU A 145 -13.074 6.081 7.591 1.00 0.00 C ATOM 1238 O GLU A 145 -12.573 7.071 8.121 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.974 4.749 9.401 1.00 0.00 C ATOM 1240 CG GLU A 145 -12.047 3.541 10.320 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.649 3.869 11.746 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -12.017 4.960 12.228 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.970 3.034 12.380 1.00 0.00 O ATOM 0 H GLU A 145 -13.316 2.960 7.146 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.968 4.454 8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.969 4.818 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -12.139 5.652 9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -13.062 3.144 10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.395 2.757 9.936 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.714 6.129 6.427 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.867 7.378 5.690 1.00 0.00 C ATOM 1252 C ASN A 146 -12.507 7.947 5.297 1.00 0.00 C ATOM 1253 O ASN A 146 -12.361 9.154 5.099 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.637 8.399 6.530 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.885 7.808 7.157 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -16.016 7.762 8.380 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.809 7.353 6.319 1.00 0.00 N ATOM 0 H ASN A 146 -14.135 5.318 5.974 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.430 7.168 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.986 8.784 7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.915 9.246 5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.670 6.945 6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.658 7.412 5.312 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.515 7.071 5.184 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.167 7.486 4.814 1.00 0.00 C ATOM 1266 C PHE A 147 -9.632 6.637 3.665 1.00 0.00 C ATOM 1267 O PHE A 147 -9.023 5.589 3.883 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.230 7.382 6.020 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.347 8.537 6.972 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.806 9.773 6.652 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.997 8.388 8.186 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.913 10.838 7.526 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -10.106 9.450 9.064 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.563 10.677 8.734 1.00 0.00 C ATOM 0 H PHE A 147 -11.619 6.069 5.343 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.211 8.524 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.442 6.457 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.201 7.316 5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.295 9.905 5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.423 7.431 8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.488 11.796 7.265 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.615 9.321 10.008 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.647 11.508 9.419 1.00 0.00 H new ATOM 1284 N THR A 148 -9.865 7.096 2.439 1.00 0.00 N ATOM 1285 CA THR A 148 -9.409 6.379 1.255 1.00 0.00 C ATOM 1286 C THR A 148 -7.897 6.187 1.277 1.00 0.00 C ATOM 1287 O THR A 148 -7.137 7.133 1.064 1.00 0.00 O ATOM 1288 CB THR A 148 -9.802 7.121 -0.036 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.143 7.613 0.070 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.688 6.203 -1.244 1.00 0.00 C ATOM 0 H THR A 148 -10.367 7.961 2.241 1.00 0.00 H new ATOM 0 HA THR A 148 -9.896 5.404 1.268 1.00 0.00 H new ATOM 0 HB THR A 148 -9.117 7.959 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.384 8.085 -0.754 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.971 6.749 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.660 5.853 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.352 5.348 -1.115 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.465 4.958 1.535 1.00 0.00 N ATOM 1299 CA LEU A 149 -6.042 4.641 1.584 1.00 0.00 C ATOM 1300 C LEU A 149 -5.369 4.951 0.250 1.00 0.00 C ATOM 1301 O LEU A 149 -5.792 4.466 -0.799 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.839 3.167 1.939 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.448 2.706 3.264 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.290 1.203 3.430 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.806 3.443 4.430 1.00 0.00 C ATOM 0 H LEU A 149 -8.080 4.164 1.714 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.584 5.261 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.260 2.560 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.768 2.964 1.964 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.513 2.940 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.729 0.894 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.796 0.691 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.231 0.945 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.251 3.103 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.735 3.240 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.971 4.515 4.318 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.317 5.762 0.299 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.582 6.135 -0.904 1.00 0.00 C ATOM 1319 C LYS A 150 -2.253 5.391 -0.982 1.00 0.00 C ATOM 1320 O LYS A 150 -1.403 5.523 -0.102 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.335 7.645 -0.927 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.609 8.471 -0.889 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.342 9.925 -1.241 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.567 10.583 -1.859 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.527 12.065 -1.725 1.00 0.00 N ATOM 0 H LYS A 150 -3.954 6.173 1.159 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.185 5.858 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.711 7.916 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.774 7.899 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.335 8.054 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.052 8.412 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.049 10.470 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.506 9.984 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.630 10.315 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.467 10.199 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.379 12.476 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.493 12.322 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.682 12.434 -2.205 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.080 4.608 -2.043 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.854 3.845 -2.238 1.00 0.00 C ATOM 1341 C VAL A 151 -0.131 4.280 -3.507 1.00 0.00 C ATOM 1342 O VAL A 151 -0.762 4.603 -4.513 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.140 2.333 -2.315 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.160 1.543 -2.305 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.044 1.903 -1.170 1.00 0.00 C ATOM 0 H VAL A 151 -2.774 4.486 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.218 4.043 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.656 2.125 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.062 0.477 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.768 1.832 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.706 1.753 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.236 0.832 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.557 2.123 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.988 2.445 -1.228 1.00 0.00 H new ATOM 1355 N ALA A 152 1.197 4.287 -3.453 1.00 0.00 N ATOM 1356 CA ALA A 152 2.006 4.680 -4.600 1.00 0.00 C ATOM 1357 C ALA A 152 3.308 3.887 -4.652 1.00 0.00 C ATOM 1358 O ALA A 152 3.891 3.564 -3.616 1.00 0.00 O ATOM 1359 CB ALA A 152 2.297 6.172 -4.554 1.00 0.00 C ATOM 0 H ALA A 152 1.735 4.025 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 152 1.440 4.459 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.902 6.451 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.359 6.726 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.839 6.409 -3.639 1.00 0.00 H new ATOM 1365 N TYR A 153 3.757 3.575 -5.862 1.00 0.00 N ATOM 1366 CA TYR A 153 4.988 2.816 -6.048 1.00 0.00 C ATOM 1367 C TYR A 153 6.203 3.636 -5.623 1.00 0.00 C ATOM 1368 O TYR A 153 6.538 4.640 -6.251 1.00 0.00 O ATOM 1369 CB TYR A 153 5.133 2.389 -7.509 1.00 0.00 C ATOM 1370 CG TYR A 153 4.429 1.091 -7.834 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.910 -0.122 -7.357 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.281 1.078 -8.617 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.269 -1.310 -7.651 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.633 -0.105 -8.915 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.131 -1.296 -8.431 1.00 0.00 C ATOM 1376 OH TYR A 153 2.490 -2.477 -8.726 1.00 0.00 O ATOM 0 H TYR A 153 3.287 3.836 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 153 4.935 1.927 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.738 3.177 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.192 2.287 -7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.800 -0.136 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.889 2.009 -8.999 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.656 -2.244 -7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.741 -0.097 -9.524 1.00 0.00 H new ATOM 0 HH TYR A 153 1.705 -2.293 -9.284 1.00 0.00 H new ATOM 1386 N ILE A 154 6.858 3.199 -4.552 1.00 0.00 N ATOM 1387 CA ILE A 154 8.036 3.891 -4.044 1.00 0.00 C ATOM 1388 C ILE A 154 9.200 3.786 -5.023 1.00 0.00 C ATOM 1389 O ILE A 154 9.453 2.737 -5.615 1.00 0.00 O ATOM 1390 CB ILE A 154 8.475 3.327 -2.679 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.357 3.499 -1.649 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.748 4.012 -2.208 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.540 2.648 -0.411 1.00 0.00 C ATOM 0 H ILE A 154 6.593 2.370 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 154 7.759 4.938 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 154 8.680 2.262 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.303 4.547 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.404 3.249 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.045 3.603 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.543 3.842 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.570 5.083 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.711 2.821 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 154 7.564 1.595 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.477 2.914 0.078 1.00 0.00 H new