USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 663 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 81 ASN :FLIP amide:sc= -18.3! C(o=-28!,f=-28!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -9.55! C(o=-28!,f=-29!) USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -3.1! (180deg=-6.08!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.496) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc=-0.00536 (180deg=-0.0632) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 130:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -2.92! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 59 GLN : amide:sc= -2.05 K(o=-2.1,f=-10!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.55) USER MOD Single : A 82 ASN : amide:sc= -2.49! C(o=-2.5!,f=-5.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 88 SER OG : rot 77:sc= -1.91! USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 91 MET CE :methyl -174:sc= -2.05 (180deg=-2.08) USER MOD Single : A 93 GLN : amide:sc= -4.48! C(o=-4.5!,f=-7.7!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -10.4! C(o=-10!,f=-15!) USER MOD Single : A 106 TYR OH : rot -20:sc= -0.217 USER MOD Single : A 109 TYR OH : rot 17:sc= -5.03! USER MOD Single : A 110 SER OG : rot 180:sc= -0.0757 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.544 14.478 1.292 1.00 0.00 N ATOM 178 CA ARG A 28 3.673 13.002 1.465 1.00 0.00 C ATOM 179 C ARG A 28 2.347 12.314 1.131 1.00 0.00 C ATOM 180 O ARG A 28 1.434 12.923 0.610 1.00 0.00 O ATOM 181 CB ARG A 28 4.026 12.804 2.939 1.00 0.00 C ATOM 182 CG ARG A 28 5.521 13.053 3.143 1.00 0.00 C ATOM 183 CD ARG A 28 5.816 14.546 2.979 1.00 0.00 C ATOM 184 NE ARG A 28 7.198 14.724 3.502 1.00 0.00 N ATOM 185 CZ ARG A 28 8.076 15.393 2.806 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.005 16.694 2.741 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.026 14.760 2.173 1.00 0.00 N ATOM 0 HA ARG A 28 4.428 12.573 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.445 13.487 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.769 11.792 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.824 12.718 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.099 12.476 2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.747 14.850 1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.102 15.153 3.535 1.00 0.00 H new ATOM 0 HE ARG A 28 7.458 14.324 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.263 17.190 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.692 17.216 2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.082 13.743 2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.712 15.283 1.629 1.00 0.00 H new ATOM 199 N VAL A 29 2.234 11.047 1.426 1.00 0.00 N ATOM 200 CA VAL A 29 0.967 10.324 1.121 1.00 0.00 C ATOM 201 C VAL A 29 0.706 9.237 2.171 1.00 0.00 C ATOM 202 O VAL A 29 1.373 8.218 2.190 1.00 0.00 O ATOM 203 CB VAL A 29 1.190 9.698 -0.257 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.152 8.600 -0.500 1.00 0.00 C ATOM 205 CG2 VAL A 29 1.047 10.774 -1.336 1.00 0.00 C ATOM 0 H VAL A 29 2.962 10.483 1.864 1.00 0.00 H new ATOM 0 HA VAL A 29 0.102 10.987 1.133 1.00 0.00 H new ATOM 0 HB VAL A 29 2.191 9.267 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.314 8.157 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.250 7.831 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.849 9.029 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.206 10.328 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.047 11.204 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.787 11.557 -1.169 1.00 0.00 H new ATOM 215 N PRO A 30 -0.268 9.495 3.005 1.00 0.00 N ATOM 216 CA PRO A 30 -0.642 8.529 4.065 1.00 0.00 C ATOM 217 C PRO A 30 -1.470 7.387 3.466 1.00 0.00 C ATOM 218 O PRO A 30 -2.679 7.468 3.364 1.00 0.00 O ATOM 219 CB PRO A 30 -1.487 9.361 5.024 1.00 0.00 C ATOM 220 CG PRO A 30 -2.042 10.477 4.195 1.00 0.00 C ATOM 221 CD PRO A 30 -1.096 10.704 3.042 1.00 0.00 C ATOM 0 HA PRO A 30 0.217 8.068 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.285 8.764 5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.885 9.745 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.037 10.224 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.143 11.384 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.637 10.844 2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.489 11.596 3.196 1.00 0.00 H new ATOM 229 N VAL A 31 -0.829 6.334 3.044 1.00 0.00 N ATOM 230 CA VAL A 31 -1.573 5.201 2.434 1.00 0.00 C ATOM 231 C VAL A 31 -1.973 4.165 3.493 1.00 0.00 C ATOM 232 O VAL A 31 -1.171 3.751 4.305 1.00 0.00 O ATOM 233 CB VAL A 31 -0.598 4.589 1.412 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.274 5.680 0.783 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.307 3.543 2.077 1.00 0.00 C ATOM 0 H VAL A 31 0.182 6.210 3.096 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.502 5.531 1.969 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.192 4.105 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.957 5.230 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.361 6.406 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.847 6.182 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.987 3.125 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.884 4.014 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.306 2.746 2.497 1.00 0.00 H new ATOM 245 N ILE A 32 -3.202 3.722 3.471 1.00 0.00 N ATOM 246 CA ILE A 32 -3.635 2.688 4.454 1.00 0.00 C ATOM 247 C ILE A 32 -3.516 1.315 3.795 1.00 0.00 C ATOM 248 O ILE A 32 -3.913 1.133 2.661 1.00 0.00 O ATOM 249 CB ILE A 32 -5.095 3.014 4.770 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.178 4.390 5.434 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.660 1.956 5.719 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.422 4.360 6.764 1.00 0.00 C ATOM 0 H ILE A 32 -3.922 4.030 2.817 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.032 2.680 5.362 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.674 3.020 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.751 5.149 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.220 4.663 5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.701 2.188 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.601 0.975 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.081 1.950 6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.480 5.340 7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.869 3.613 7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.377 4.106 6.583 1.00 0.00 H new ATOM 264 N VAL A 33 -2.953 0.350 4.466 1.00 0.00 N ATOM 265 CA VAL A 33 -2.805 -0.982 3.820 1.00 0.00 C ATOM 266 C VAL A 33 -3.392 -2.106 4.686 1.00 0.00 C ATOM 267 O VAL A 33 -3.063 -2.258 5.845 1.00 0.00 O ATOM 268 CB VAL A 33 -1.288 -1.146 3.611 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.675 -2.064 4.677 1.00 0.00 C ATOM 270 CG2 VAL A 33 -1.038 -1.744 2.226 1.00 0.00 C ATOM 0 H VAL A 33 -2.594 0.423 5.418 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.353 -1.044 2.880 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.819 -0.166 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.397 -2.160 4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.845 -1.637 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.141 -3.048 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.034 -1.864 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.526 -2.716 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.444 -1.079 1.464 1.00 0.00 H new ATOM 280 N GLU A 34 -4.238 -2.907 4.101 1.00 0.00 N ATOM 281 CA GLU A 34 -4.845 -4.051 4.840 1.00 0.00 C ATOM 282 C GLU A 34 -4.742 -5.311 3.970 1.00 0.00 C ATOM 283 O GLU A 34 -4.571 -5.229 2.769 1.00 0.00 O ATOM 284 CB GLU A 34 -6.309 -3.666 5.067 1.00 0.00 C ATOM 285 CG GLU A 34 -6.890 -4.515 6.200 1.00 0.00 C ATOM 286 CD GLU A 34 -7.933 -5.480 5.632 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.484 -5.177 4.586 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.162 -6.506 6.252 1.00 0.00 O ATOM 0 H GLU A 34 -4.539 -2.817 3.131 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.346 -4.256 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.383 -2.608 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.882 -3.819 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.095 -5.072 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.346 -3.872 6.953 1.00 0.00 H new ATOM 295 N LYS A 35 -4.830 -6.472 4.555 1.00 0.00 N ATOM 296 CA LYS A 35 -4.720 -7.713 3.734 1.00 0.00 C ATOM 297 C LYS A 35 -6.085 -8.125 3.185 1.00 0.00 C ATOM 298 O LYS A 35 -7.118 -7.689 3.652 1.00 0.00 O ATOM 299 CB LYS A 35 -4.190 -8.784 4.681 1.00 0.00 C ATOM 300 CG LYS A 35 -3.146 -9.635 3.955 1.00 0.00 C ATOM 301 CD LYS A 35 -1.869 -8.814 3.747 1.00 0.00 C ATOM 302 CE LYS A 35 -1.222 -8.512 5.103 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.310 -9.787 5.870 1.00 0.00 N ATOM 0 H LYS A 35 -4.972 -6.617 5.555 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.065 -7.565 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.747 -8.319 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.009 -9.413 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.924 -10.530 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.538 -9.967 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.171 -9.363 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.104 -7.884 3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.186 -8.195 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.744 -7.706 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.529 -9.835 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.217 -9.825 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.245 -10.592 5.214 1.00 0.00 H new ATOM 317 N ALA A 36 -6.087 -8.977 2.198 1.00 0.00 N ATOM 318 CA ALA A 36 -7.376 -9.445 1.608 1.00 0.00 C ATOM 319 C ALA A 36 -8.153 -10.255 2.648 1.00 0.00 C ATOM 320 O ALA A 36 -7.738 -10.355 3.786 1.00 0.00 O ATOM 321 CB ALA A 36 -6.971 -10.324 0.423 1.00 0.00 C ATOM 0 H ALA A 36 -5.249 -9.372 1.772 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.021 -8.623 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.865 -10.709 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.394 -9.733 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.365 -11.157 0.778 1.00 0.00 H new ATOM 327 N PRO A 37 -9.257 -10.815 2.228 1.00 0.00 N ATOM 328 CA PRO A 37 -10.085 -11.627 3.151 1.00 0.00 C ATOM 329 C PRO A 37 -9.396 -12.965 3.435 1.00 0.00 C ATOM 330 O PRO A 37 -9.196 -13.772 2.550 1.00 0.00 O ATOM 331 CB PRO A 37 -11.388 -11.829 2.383 1.00 0.00 C ATOM 332 CG PRO A 37 -11.018 -11.682 0.942 1.00 0.00 C ATOM 333 CD PRO A 37 -9.833 -10.751 0.878 1.00 0.00 C ATOM 0 HA PRO A 37 -10.244 -11.155 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.815 -12.812 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.136 -11.092 2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.770 -12.651 0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.854 -11.281 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.115 -11.070 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.136 -9.736 0.621 1.00 0.00 H new ATOM 341 N LYS A 38 -9.032 -13.203 4.666 1.00 0.00 N ATOM 342 CA LYS A 38 -8.356 -14.484 5.012 1.00 0.00 C ATOM 343 C LYS A 38 -7.003 -14.586 4.298 1.00 0.00 C ATOM 344 O LYS A 38 -6.638 -15.627 3.789 1.00 0.00 O ATOM 345 CB LYS A 38 -9.308 -15.571 4.519 1.00 0.00 C ATOM 346 CG LYS A 38 -9.842 -16.362 5.713 1.00 0.00 C ATOM 347 CD LYS A 38 -8.686 -17.088 6.403 1.00 0.00 C ATOM 348 CE LYS A 38 -8.077 -18.112 5.441 1.00 0.00 C ATOM 349 NZ LYS A 38 -8.380 -19.437 6.049 1.00 0.00 N ATOM 0 H LYS A 38 -9.174 -12.564 5.448 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.152 -14.569 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.134 -15.123 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.790 -16.238 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.335 -15.691 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.590 -17.081 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.927 -16.371 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.042 -17.587 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.512 -18.026 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.003 -17.963 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.994 -20.192 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.948 -19.493 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.410 -19.553 6.132 1.00 0.00 H new ATOM 363 N ALA A 39 -6.254 -13.515 4.259 1.00 0.00 N ATOM 364 CA ALA A 39 -4.926 -13.561 3.582 1.00 0.00 C ATOM 365 C ALA A 39 -3.984 -14.504 4.336 1.00 0.00 C ATOM 366 O ALA A 39 -4.320 -15.022 5.382 1.00 0.00 O ATOM 367 CB ALA A 39 -4.405 -12.126 3.634 1.00 0.00 C ATOM 0 H ALA A 39 -6.504 -12.614 4.666 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.995 -13.931 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.428 -12.076 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.100 -11.468 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.316 -11.809 4.673 1.00 0.00 H new ATOM 373 N ARG A 40 -2.810 -14.732 3.816 1.00 0.00 N ATOM 374 CA ARG A 40 -1.858 -15.645 4.512 1.00 0.00 C ATOM 375 C ARG A 40 -0.410 -15.240 4.221 1.00 0.00 C ATOM 376 O ARG A 40 0.471 -16.075 4.152 1.00 0.00 O ATOM 377 CB ARG A 40 -2.153 -17.033 3.944 1.00 0.00 C ATOM 378 CG ARG A 40 -1.787 -17.067 2.458 1.00 0.00 C ATOM 379 CD ARG A 40 -1.123 -18.405 2.125 1.00 0.00 C ATOM 380 NE ARG A 40 0.320 -18.085 1.953 1.00 0.00 N ATOM 381 CZ ARG A 40 1.180 -19.042 1.729 1.00 0.00 C ATOM 382 NH1 ARG A 40 0.774 -20.180 1.236 1.00 0.00 N ATOM 383 NH2 ARG A 40 2.443 -18.860 1.998 1.00 0.00 N ATOM 0 H ARG A 40 -2.469 -14.328 2.944 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.978 -15.612 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.584 -17.788 4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.208 -17.274 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.681 -16.931 1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.112 -16.245 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.274 -19.131 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.542 -18.839 1.217 1.00 0.00 H new ATOM 0 HE ARG A 40 0.638 -17.117 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.214 -20.321 1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.445 -20.928 1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.759 -17.970 2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.115 -19.608 1.823 1.00 0.00 H new ATOM 395 N ILE A 41 -0.149 -13.972 4.058 1.00 0.00 N ATOM 396 CA ILE A 41 1.250 -13.540 3.782 1.00 0.00 C ATOM 397 C ILE A 41 1.945 -13.126 5.086 1.00 0.00 C ATOM 398 O ILE A 41 1.362 -13.169 6.152 1.00 0.00 O ATOM 399 CB ILE A 41 1.161 -12.381 2.769 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.373 -11.179 3.321 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.470 -12.880 1.501 1.00 0.00 C ATOM 402 CD1 ILE A 41 1.155 -10.503 4.438 1.00 0.00 C ATOM 0 H ILE A 41 -0.838 -13.221 4.104 1.00 0.00 H new ATOM 0 HA ILE A 41 1.851 -14.348 3.364 1.00 0.00 H new ATOM 0 HB ILE A 41 2.178 -12.047 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.178 -10.465 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.595 -11.511 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.403 -12.066 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.046 -13.700 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.532 -13.231 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.586 -9.655 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.327 -11.216 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.112 -10.153 4.052 1.00 0.00 H new ATOM 414 N GLY A 42 3.199 -12.759 5.011 1.00 0.00 N ATOM 415 CA GLY A 42 3.953 -12.378 6.248 1.00 0.00 C ATOM 416 C GLY A 42 3.096 -11.508 7.169 1.00 0.00 C ATOM 417 O GLY A 42 2.042 -11.042 6.801 1.00 0.00 O ATOM 0 H GLY A 42 3.736 -12.706 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.265 -13.277 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.860 -11.839 5.973 1.00 0.00 H new ATOM 421 N ASP A 43 3.552 -11.281 8.370 1.00 0.00 N ATOM 422 CA ASP A 43 2.773 -10.437 9.321 1.00 0.00 C ATOM 423 C ASP A 43 2.969 -8.955 8.990 1.00 0.00 C ATOM 424 O ASP A 43 3.626 -8.608 8.028 1.00 0.00 O ATOM 425 CB ASP A 43 3.347 -10.759 10.701 1.00 0.00 C ATOM 426 CG ASP A 43 2.203 -11.040 11.676 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.227 -10.309 11.640 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.323 -11.982 12.443 1.00 0.00 O ATOM 0 H ASP A 43 4.432 -11.644 8.735 1.00 0.00 H new ATOM 0 HA ASP A 43 1.703 -10.637 9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.007 -11.624 10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.949 -9.924 11.060 1.00 0.00 H new ATOM 433 N LEU A 44 2.407 -8.080 9.777 1.00 0.00 N ATOM 434 CA LEU A 44 2.565 -6.624 9.498 1.00 0.00 C ATOM 435 C LEU A 44 2.784 -5.848 10.799 1.00 0.00 C ATOM 436 O LEU A 44 2.107 -6.063 11.784 1.00 0.00 O ATOM 437 CB LEU A 44 1.250 -6.196 8.849 1.00 0.00 C ATOM 438 CG LEU A 44 1.462 -5.954 7.355 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.548 -4.895 7.151 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.893 -7.260 6.682 1.00 0.00 C ATOM 0 H LEU A 44 1.847 -8.308 10.598 1.00 0.00 H new ATOM 0 HA LEU A 44 3.425 -6.426 8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.493 -6.966 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.878 -5.288 9.324 1.00 0.00 H new ATOM 0 HG LEU A 44 0.529 -5.605 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.696 -4.726 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.242 -3.963 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.481 -5.240 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.044 -7.088 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.824 -7.610 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.118 -8.014 6.821 1.00 0.00 H new ATOM 452 N ASP A 45 3.716 -4.937 10.802 1.00 0.00 N ATOM 453 CA ASP A 45 3.970 -4.133 12.030 1.00 0.00 C ATOM 454 C ASP A 45 3.036 -2.920 12.050 1.00 0.00 C ATOM 455 O ASP A 45 2.652 -2.433 13.095 1.00 0.00 O ATOM 456 CB ASP A 45 5.430 -3.691 11.919 1.00 0.00 C ATOM 457 CG ASP A 45 5.798 -2.834 13.132 1.00 0.00 C ATOM 458 OD1 ASP A 45 5.300 -3.120 14.208 1.00 0.00 O ATOM 459 OD2 ASP A 45 6.572 -1.906 12.963 1.00 0.00 O ATOM 0 H ASP A 45 4.314 -4.714 10.006 1.00 0.00 H new ATOM 0 HA ASP A 45 3.790 -4.695 12.947 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.082 -4.563 11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.580 -3.124 11.001 1.00 0.00 H new ATOM 464 N LYS A 46 2.668 -2.436 10.895 1.00 0.00 N ATOM 465 CA LYS A 46 1.755 -1.258 10.827 1.00 0.00 C ATOM 466 C LYS A 46 0.973 -1.283 9.508 1.00 0.00 C ATOM 467 O LYS A 46 1.452 -1.776 8.507 1.00 0.00 O ATOM 468 CB LYS A 46 2.678 -0.040 10.881 1.00 0.00 C ATOM 469 CG LYS A 46 3.552 -0.007 9.626 1.00 0.00 C ATOM 470 CD LYS A 46 5.027 -0.087 10.027 1.00 0.00 C ATOM 471 CE LYS A 46 5.829 0.943 9.230 1.00 0.00 C ATOM 472 NZ LYS A 46 7.256 0.609 9.494 1.00 0.00 N ATOM 0 H LYS A 46 2.961 -2.807 9.991 1.00 0.00 H new ATOM 0 HA LYS A 46 1.023 -1.248 11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.088 0.874 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.304 -0.084 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.297 -0.840 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.366 0.909 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.135 0.100 11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.412 -1.089 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.600 0.884 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.596 1.958 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.860 1.093 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.514 0.920 10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.392 -0.419 9.415 1.00 0.00 H new ATOM 486 N LYS A 47 -0.224 -0.754 9.490 1.00 0.00 N ATOM 487 CA LYS A 47 -1.015 -0.756 8.224 1.00 0.00 C ATOM 488 C LYS A 47 -1.158 0.670 7.697 1.00 0.00 C ATOM 489 O LYS A 47 -2.228 1.107 7.327 1.00 0.00 O ATOM 490 CB LYS A 47 -2.379 -1.333 8.603 1.00 0.00 C ATOM 491 CG LYS A 47 -2.213 -2.788 9.045 1.00 0.00 C ATOM 492 CD LYS A 47 -2.041 -2.844 10.564 1.00 0.00 C ATOM 493 CE LYS A 47 -2.513 -4.205 11.083 1.00 0.00 C ATOM 494 NZ LYS A 47 -1.426 -5.154 10.715 1.00 0.00 N ATOM 0 H LYS A 47 -0.685 -0.324 10.292 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.537 -1.340 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.823 -0.746 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.059 -1.275 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.083 -3.372 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.347 -3.232 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.995 -2.685 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.614 -2.045 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.670 -4.184 12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.461 -4.494 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.644 -6.097 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.349 -5.209 9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.525 -4.820 11.112 1.00 0.00 H new ATOM 508 N LYS A 48 -0.077 1.393 7.660 1.00 0.00 N ATOM 509 CA LYS A 48 -0.125 2.792 7.153 1.00 0.00 C ATOM 510 C LYS A 48 1.279 3.225 6.737 1.00 0.00 C ATOM 511 O LYS A 48 2.158 3.379 7.562 1.00 0.00 O ATOM 512 CB LYS A 48 -0.623 3.631 8.331 1.00 0.00 C ATOM 513 CG LYS A 48 0.117 3.216 9.604 1.00 0.00 C ATOM 514 CD LYS A 48 -0.169 4.231 10.713 1.00 0.00 C ATOM 515 CE LYS A 48 1.134 4.579 11.435 1.00 0.00 C ATOM 516 NZ LYS A 48 1.524 5.913 10.899 1.00 0.00 N ATOM 0 H LYS A 48 0.844 1.074 7.961 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.774 2.904 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.459 4.690 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.696 3.493 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.202 2.221 9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.189 3.162 9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.615 5.131 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.890 3.820 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.990 4.614 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.905 3.834 11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.411 6.221 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.660 5.847 9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.774 6.603 11.106 1.00 0.00 H new ATOM 530 N TYR A 49 1.508 3.415 5.468 1.00 0.00 N ATOM 531 CA TYR A 49 2.866 3.829 5.025 1.00 0.00 C ATOM 532 C TYR A 49 2.881 5.315 4.678 1.00 0.00 C ATOM 533 O TYR A 49 1.955 5.842 4.096 1.00 0.00 O ATOM 534 CB TYR A 49 3.164 2.995 3.780 1.00 0.00 C ATOM 535 CG TYR A 49 3.318 1.538 4.154 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.211 0.800 4.596 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.572 0.923 4.061 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.360 -0.548 4.943 1.00 0.00 C ATOM 539 CE2 TYR A 49 4.721 -0.425 4.408 1.00 0.00 C ATOM 540 CZ TYR A 49 3.615 -1.161 4.849 1.00 0.00 C ATOM 541 OH TYR A 49 3.761 -2.489 5.191 1.00 0.00 O ATOM 0 H TYR A 49 0.819 3.302 4.724 1.00 0.00 H new ATOM 0 HA TYR A 49 3.610 3.672 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.358 3.109 3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.076 3.354 3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.242 1.272 4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.426 1.490 3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.506 -1.115 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.690 -0.897 4.335 1.00 0.00 H new ATOM 0 HH TYR A 49 4.232 -2.962 4.473 1.00 0.00 H new ATOM 551 N LEU A 50 3.938 5.986 5.022 1.00 0.00 N ATOM 552 CA LEU A 50 4.043 7.437 4.706 1.00 0.00 C ATOM 553 C LEU A 50 5.066 7.626 3.589 1.00 0.00 C ATOM 554 O LEU A 50 6.251 7.730 3.830 1.00 0.00 O ATOM 555 CB LEU A 50 4.523 8.096 5.997 1.00 0.00 C ATOM 556 CG LEU A 50 3.797 9.428 6.193 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.381 9.168 6.711 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.561 10.280 7.207 1.00 0.00 C ATOM 0 H LEU A 50 4.741 5.592 5.512 1.00 0.00 H new ATOM 0 HA LEU A 50 3.101 7.869 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.333 7.438 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.600 8.260 5.955 1.00 0.00 H new ATOM 0 HG LEU A 50 3.744 9.955 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.864 10.118 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.835 8.561 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.433 8.640 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.044 11.229 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.615 9.752 8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.570 10.467 6.839 1.00 0.00 H new ATOM 570 N VAL A 51 4.619 7.651 2.367 1.00 0.00 N ATOM 571 CA VAL A 51 5.575 7.809 1.235 1.00 0.00 C ATOM 572 C VAL A 51 5.290 9.097 0.462 1.00 0.00 C ATOM 573 O VAL A 51 4.177 9.584 0.450 1.00 0.00 O ATOM 574 CB VAL A 51 5.338 6.586 0.350 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.403 5.315 1.202 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.958 6.691 -0.303 1.00 0.00 C ATOM 0 H VAL A 51 3.637 7.569 2.102 1.00 0.00 H new ATOM 0 HA VAL A 51 6.608 7.876 1.577 1.00 0.00 H new ATOM 0 HB VAL A 51 6.106 6.543 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.234 4.444 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.385 5.239 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.636 5.356 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.787 5.819 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.192 6.734 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.911 7.595 -0.911 1.00 0.00 H new ATOM 586 N PRO A 52 6.315 9.601 -0.167 1.00 0.00 N ATOM 587 CA PRO A 52 6.185 10.846 -0.960 1.00 0.00 C ATOM 588 C PRO A 52 5.355 10.577 -2.221 1.00 0.00 C ATOM 589 O PRO A 52 5.380 9.495 -2.773 1.00 0.00 O ATOM 590 CB PRO A 52 7.633 11.205 -1.298 1.00 0.00 C ATOM 591 CG PRO A 52 8.375 9.910 -1.232 1.00 0.00 C ATOM 592 CD PRO A 52 7.680 9.063 -0.199 1.00 0.00 C ATOM 0 HA PRO A 52 5.675 11.653 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.708 11.653 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.037 11.928 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.374 9.414 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.417 10.075 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.688 8.009 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.164 9.142 0.774 1.00 0.00 H new ATOM 600 N SER A 53 4.602 11.547 -2.665 1.00 0.00 N ATOM 601 CA SER A 53 3.749 11.347 -3.874 1.00 0.00 C ATOM 602 C SER A 53 4.597 11.050 -5.117 1.00 0.00 C ATOM 603 O SER A 53 4.090 10.613 -6.131 1.00 0.00 O ATOM 604 CB SER A 53 3.002 12.670 -4.042 1.00 0.00 C ATOM 605 OG SER A 53 1.758 12.598 -3.358 1.00 0.00 O ATOM 0 H SER A 53 4.540 12.473 -2.242 1.00 0.00 H new ATOM 0 HA SER A 53 3.078 10.496 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.600 13.491 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.837 12.876 -5.100 1.00 0.00 H new ATOM 0 HG SER A 53 1.278 13.446 -3.463 1.00 0.00 H new ATOM 611 N ASP A 54 5.876 11.295 -5.057 1.00 0.00 N ATOM 612 CA ASP A 54 6.741 11.037 -6.247 1.00 0.00 C ATOM 613 C ASP A 54 7.180 9.568 -6.310 1.00 0.00 C ATOM 614 O ASP A 54 7.707 9.117 -7.307 1.00 0.00 O ATOM 615 CB ASP A 54 7.956 11.945 -6.053 1.00 0.00 C ATOM 616 CG ASP A 54 8.636 12.185 -7.403 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.922 11.212 -8.080 1.00 0.00 O ATOM 618 OD2 ASP A 54 8.858 13.338 -7.735 1.00 0.00 O ATOM 0 H ASP A 54 6.361 11.662 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 54 6.212 11.238 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.647 12.894 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.658 11.487 -5.357 1.00 0.00 H new ATOM 623 N LEU A 55 6.984 8.820 -5.259 1.00 0.00 N ATOM 624 CA LEU A 55 7.414 7.388 -5.282 1.00 0.00 C ATOM 625 C LEU A 55 6.669 6.604 -6.358 1.00 0.00 C ATOM 626 O LEU A 55 5.489 6.788 -6.579 1.00 0.00 O ATOM 627 CB LEU A 55 7.052 6.813 -3.911 1.00 0.00 C ATOM 628 CG LEU A 55 8.305 6.659 -3.050 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.982 5.761 -1.855 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.432 6.013 -3.861 1.00 0.00 C ATOM 0 H LEU A 55 6.549 9.132 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 55 8.480 7.316 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.338 7.468 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.565 5.845 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 55 8.625 7.644 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.871 5.646 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.185 6.213 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.659 4.783 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.318 5.910 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.114 5.029 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.667 6.640 -4.721 1.00 0.00 H new ATOM 642 N THR A 56 7.352 5.707 -7.007 1.00 0.00 N ATOM 643 CA THR A 56 6.698 4.871 -8.051 1.00 0.00 C ATOM 644 C THR A 56 6.168 3.581 -7.414 1.00 0.00 C ATOM 645 O THR A 56 6.540 3.225 -6.310 1.00 0.00 O ATOM 646 CB THR A 56 7.798 4.561 -9.067 1.00 0.00 C ATOM 647 OG1 THR A 56 9.041 4.424 -8.391 1.00 0.00 O ATOM 648 CG2 THR A 56 7.892 5.700 -10.084 1.00 0.00 C ATOM 0 H THR A 56 8.343 5.515 -6.859 1.00 0.00 H new ATOM 0 HA THR A 56 5.852 5.373 -8.521 1.00 0.00 H new ATOM 0 HB THR A 56 7.562 3.632 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.747 4.224 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.676 5.478 -10.808 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.939 5.804 -10.603 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.128 6.630 -9.567 1.00 0.00 H new ATOM 656 N VAL A 57 5.311 2.874 -8.096 1.00 0.00 N ATOM 657 CA VAL A 57 4.775 1.610 -7.517 1.00 0.00 C ATOM 658 C VAL A 57 5.921 0.627 -7.263 1.00 0.00 C ATOM 659 O VAL A 57 5.802 -0.287 -6.475 1.00 0.00 O ATOM 660 CB VAL A 57 3.817 1.059 -8.571 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.243 -0.274 -8.091 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.673 2.053 -8.791 1.00 0.00 C ATOM 0 H VAL A 57 4.960 3.114 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 57 4.273 1.771 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 57 4.356 0.909 -9.507 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.559 -0.668 -8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.055 -0.984 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.705 -0.123 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.989 1.660 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.136 2.202 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.079 3.005 -9.132 1.00 0.00 H new ATOM 672 N GLY A 58 7.031 0.808 -7.929 1.00 0.00 N ATOM 673 CA GLY A 58 8.184 -0.116 -7.728 1.00 0.00 C ATOM 674 C GLY A 58 8.814 0.131 -6.352 1.00 0.00 C ATOM 675 O GLY A 58 9.191 -0.792 -5.659 1.00 0.00 O ATOM 0 H GLY A 58 7.188 1.557 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.850 -1.151 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.926 0.038 -8.511 1.00 0.00 H new ATOM 679 N GLN A 59 8.929 1.370 -5.950 1.00 0.00 N ATOM 680 CA GLN A 59 9.532 1.667 -4.616 1.00 0.00 C ATOM 681 C GLN A 59 8.609 1.165 -3.506 1.00 0.00 C ATOM 682 O GLN A 59 9.032 0.495 -2.575 1.00 0.00 O ATOM 683 CB GLN A 59 9.653 3.190 -4.566 1.00 0.00 C ATOM 684 CG GLN A 59 10.520 3.670 -5.730 1.00 0.00 C ATOM 685 CD GLN A 59 11.879 4.131 -5.199 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.953 5.023 -4.378 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.965 3.558 -5.639 1.00 0.00 N ATOM 0 H GLN A 59 8.633 2.186 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 59 10.497 1.180 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.665 3.646 -4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.094 3.500 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.654 2.865 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.025 4.489 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.903 2.809 -6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.876 3.859 -5.294 1.00 0.00 H new ATOM 696 N PHE A 60 7.346 1.476 -3.596 1.00 0.00 N ATOM 697 CA PHE A 60 6.405 1.000 -2.547 1.00 0.00 C ATOM 698 C PHE A 60 6.403 -0.532 -2.519 1.00 0.00 C ATOM 699 O PHE A 60 6.432 -1.140 -1.474 1.00 0.00 O ATOM 700 CB PHE A 60 5.028 1.537 -2.944 1.00 0.00 C ATOM 701 CG PHE A 60 4.062 1.266 -1.815 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.317 1.788 -0.542 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.927 0.477 -2.032 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.439 1.523 0.515 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.051 0.209 -0.974 1.00 0.00 C ATOM 706 CZ PHE A 60 2.309 0.732 0.299 1.00 0.00 C ATOM 0 H PHE A 60 6.929 2.033 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 60 6.687 1.346 -1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.083 2.607 -3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.684 1.056 -3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.193 2.397 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.727 0.075 -3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.635 1.930 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.176 -0.401 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.633 0.523 1.115 1.00 0.00 H new ATOM 716 N TYR A 61 6.388 -1.165 -3.658 1.00 0.00 N ATOM 717 CA TYR A 61 6.402 -2.654 -3.674 1.00 0.00 C ATOM 718 C TYR A 61 7.590 -3.170 -2.864 1.00 0.00 C ATOM 719 O TYR A 61 7.598 -4.292 -2.393 1.00 0.00 O ATOM 720 CB TYR A 61 6.550 -3.023 -5.147 1.00 0.00 C ATOM 721 CG TYR A 61 5.488 -4.025 -5.524 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.545 -5.329 -5.019 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.446 -3.650 -6.379 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.559 -6.259 -5.369 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.459 -4.578 -6.730 1.00 0.00 C ATOM 726 CZ TYR A 61 3.515 -5.884 -6.225 1.00 0.00 C ATOM 727 OH TYR A 61 2.542 -6.799 -6.570 1.00 0.00 O ATOM 0 H TYR A 61 6.367 -0.718 -4.575 1.00 0.00 H new ATOM 0 HA TYR A 61 5.505 -3.090 -3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.460 -2.131 -5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.540 -3.440 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.350 -5.618 -4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.403 -2.644 -6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.603 -7.265 -4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.655 -4.288 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 61 1.892 -6.375 -7.169 1.00 0.00 H new ATOM 737 N PHE A 62 8.592 -2.357 -2.699 1.00 0.00 N ATOM 738 CA PHE A 62 9.786 -2.790 -1.925 1.00 0.00 C ATOM 739 C PHE A 62 9.522 -2.697 -0.418 1.00 0.00 C ATOM 740 O PHE A 62 9.711 -3.654 0.307 1.00 0.00 O ATOM 741 CB PHE A 62 10.896 -1.822 -2.335 1.00 0.00 C ATOM 742 CG PHE A 62 12.219 -2.550 -2.345 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.984 -2.629 -1.174 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.681 -3.149 -3.523 1.00 0.00 C ATOM 745 CE1 PHE A 62 14.211 -3.304 -1.184 1.00 0.00 C ATOM 746 CE2 PHE A 62 13.907 -3.825 -3.533 1.00 0.00 C ATOM 747 CZ PHE A 62 14.672 -3.903 -2.363 1.00 0.00 C ATOM 0 H PHE A 62 8.636 -1.407 -3.068 1.00 0.00 H new ATOM 0 HA PHE A 62 10.048 -3.828 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.688 -1.410 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.936 -0.982 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.628 -2.170 -0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.091 -3.090 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.802 -3.363 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.262 -4.286 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.617 -4.425 -2.370 1.00 0.00 H new ATOM 757 N LEU A 63 9.116 -1.555 0.072 1.00 0.00 N ATOM 758 CA LEU A 63 8.886 -1.442 1.551 1.00 0.00 C ATOM 759 C LEU A 63 7.823 -2.436 2.049 1.00 0.00 C ATOM 760 O LEU A 63 7.856 -2.843 3.194 1.00 0.00 O ATOM 761 CB LEU A 63 8.475 0.009 1.850 1.00 0.00 C ATOM 762 CG LEU A 63 7.371 0.491 0.910 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.018 0.438 1.628 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.680 1.937 0.506 1.00 0.00 C ATOM 0 H LEU A 63 8.936 -0.710 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 63 9.803 -1.695 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.132 0.084 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.344 0.660 1.754 1.00 0.00 H new ATOM 0 HG LEU A 63 7.327 -0.147 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.234 0.783 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.808 -0.587 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.048 1.081 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.903 2.301 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.713 2.565 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.645 1.975 -0.000 1.00 0.00 H new ATOM 776 N ILE A 64 6.899 -2.870 1.225 1.00 0.00 N ATOM 777 CA ILE A 64 5.904 -3.870 1.737 1.00 0.00 C ATOM 778 C ILE A 64 6.508 -5.264 1.630 1.00 0.00 C ATOM 779 O ILE A 64 6.377 -6.081 2.518 1.00 0.00 O ATOM 780 CB ILE A 64 4.651 -3.808 0.855 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.362 -2.375 0.405 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.459 -4.343 1.655 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.943 -2.297 -0.161 1.00 0.00 C ATOM 0 H ILE A 64 6.790 -2.588 0.251 1.00 0.00 H new ATOM 0 HA ILE A 64 5.649 -3.651 2.774 1.00 0.00 H new ATOM 0 HB ILE A 64 4.817 -4.415 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.468 -1.690 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.084 -2.067 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.561 -4.304 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.652 -5.374 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.315 -3.731 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.735 -1.276 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.854 -2.971 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.228 -2.588 0.608 1.00 0.00 H new ATOM 795 N ARG A 65 7.161 -5.534 0.531 1.00 0.00 N ATOM 796 CA ARG A 65 7.786 -6.877 0.326 1.00 0.00 C ATOM 797 C ARG A 65 8.349 -7.420 1.644 1.00 0.00 C ATOM 798 O ARG A 65 7.938 -8.459 2.119 1.00 0.00 O ATOM 799 CB ARG A 65 8.912 -6.637 -0.679 1.00 0.00 C ATOM 800 CG ARG A 65 8.455 -7.071 -2.073 1.00 0.00 C ATOM 801 CD ARG A 65 9.624 -6.958 -3.053 1.00 0.00 C ATOM 802 NE ARG A 65 9.912 -8.358 -3.469 1.00 0.00 N ATOM 803 CZ ARG A 65 11.048 -8.914 -3.148 1.00 0.00 C ATOM 804 NH1 ARG A 65 11.263 -9.294 -1.918 1.00 0.00 N ATOM 805 NH2 ARG A 65 11.968 -9.090 -4.056 1.00 0.00 N ATOM 0 H ARG A 65 7.290 -4.878 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 65 7.065 -7.613 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.187 -5.582 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.800 -7.196 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.089 -8.097 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.626 -6.447 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.363 -6.337 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.493 -6.500 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 65 9.221 -8.883 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.543 -9.156 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.151 -9.729 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.799 -8.793 -5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.856 -9.525 -3.805 1.00 0.00 H new ATOM 817 N LYS A 66 9.280 -6.727 2.239 1.00 0.00 N ATOM 818 CA LYS A 66 9.854 -7.215 3.527 1.00 0.00 C ATOM 819 C LYS A 66 8.790 -7.163 4.621 1.00 0.00 C ATOM 820 O LYS A 66 8.763 -7.988 5.512 1.00 0.00 O ATOM 821 CB LYS A 66 11.005 -6.258 3.842 1.00 0.00 C ATOM 822 CG LYS A 66 12.319 -6.854 3.330 1.00 0.00 C ATOM 823 CD LYS A 66 12.981 -5.875 2.358 1.00 0.00 C ATOM 824 CE LYS A 66 14.379 -6.381 1.994 1.00 0.00 C ATOM 825 NZ LYS A 66 14.181 -7.215 0.776 1.00 0.00 N ATOM 0 H LYS A 66 9.667 -5.849 1.893 1.00 0.00 H new ATOM 0 HA LYS A 66 10.198 -8.247 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.826 -5.290 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.066 -6.086 4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.987 -7.060 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.129 -7.805 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.374 -5.773 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.048 -4.886 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.060 -5.553 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.811 -6.965 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.096 -7.598 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.533 -7.999 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.775 -6.631 0.018 1.00 0.00 H new ATOM 839 N ARG A 67 7.902 -6.211 4.556 1.00 0.00 N ATOM 840 CA ARG A 67 6.831 -6.128 5.586 1.00 0.00 C ATOM 841 C ARG A 67 5.866 -7.303 5.407 1.00 0.00 C ATOM 842 O ARG A 67 5.023 -7.562 6.243 1.00 0.00 O ATOM 843 CB ARG A 67 6.120 -4.800 5.322 1.00 0.00 C ATOM 844 CG ARG A 67 7.018 -3.643 5.763 1.00 0.00 C ATOM 845 CD ARG A 67 6.618 -3.191 7.168 1.00 0.00 C ATOM 846 NE ARG A 67 7.171 -1.816 7.302 1.00 0.00 N ATOM 847 CZ ARG A 67 8.460 -1.621 7.239 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.282 -2.604 7.491 1.00 0.00 N ATOM 849 NH2 ARG A 67 8.928 -0.444 6.925 1.00 0.00 N ATOM 0 H ARG A 67 7.872 -5.489 3.836 1.00 0.00 H new ATOM 0 HA ARG A 67 7.220 -6.175 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.883 -4.707 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.175 -4.768 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.062 -3.956 5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.928 -2.812 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.535 -3.194 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.027 -3.857 7.928 1.00 0.00 H new ATOM 0 HE ARG A 67 6.542 -1.025 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.917 -3.524 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.289 -2.452 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.286 0.324 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.935 -0.292 6.876 1.00 0.00 H new ATOM 861 N ILE A 68 5.993 -8.023 4.323 1.00 0.00 N ATOM 862 CA ILE A 68 5.096 -9.187 4.088 1.00 0.00 C ATOM 863 C ILE A 68 5.859 -10.483 4.366 1.00 0.00 C ATOM 864 O ILE A 68 5.422 -11.562 4.018 1.00 0.00 O ATOM 865 CB ILE A 68 4.703 -9.097 2.614 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.784 -7.889 2.406 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.962 -10.369 2.206 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.769 -7.505 0.927 1.00 0.00 C ATOM 0 H ILE A 68 6.682 -7.853 3.590 1.00 0.00 H new ATOM 0 HA ILE A 68 4.220 -9.180 4.736 1.00 0.00 H new ATOM 0 HB ILE A 68 5.600 -8.985 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.774 -8.126 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.130 -7.048 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.681 -10.305 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.610 -11.232 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.065 -10.479 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.115 -6.646 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.779 -7.251 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.402 -8.345 0.337 1.00 0.00 H new ATOM 880 N HIS A 69 7.001 -10.380 4.990 1.00 0.00 N ATOM 881 CA HIS A 69 7.802 -11.596 5.301 1.00 0.00 C ATOM 882 C HIS A 69 7.851 -12.523 4.090 1.00 0.00 C ATOM 883 O HIS A 69 7.926 -13.729 4.218 1.00 0.00 O ATOM 884 CB HIS A 69 7.074 -12.268 6.467 1.00 0.00 C ATOM 885 CG HIS A 69 8.082 -12.881 7.400 1.00 0.00 C ATOM 886 ND1 HIS A 69 9.396 -13.106 7.022 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.983 -13.319 8.697 1.00 0.00 C ATOM 888 CE1 HIS A 69 10.030 -13.658 8.073 1.00 0.00 C ATOM 889 NE2 HIS A 69 9.214 -13.811 9.120 1.00 0.00 N ATOM 0 H HIS A 69 7.415 -9.500 5.299 1.00 0.00 H new ATOM 0 HA HIS A 69 8.834 -11.354 5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.466 -11.537 7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.395 -13.035 6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.086 -13.287 9.298 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.072 -13.943 8.070 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.444 -14.204 10.033 1.00 0.00 H new ATOM 897 N LEU A 70 7.825 -11.967 2.916 1.00 0.00 N ATOM 898 CA LEU A 70 7.886 -12.820 1.695 1.00 0.00 C ATOM 899 C LEU A 70 9.278 -12.730 1.066 1.00 0.00 C ATOM 900 O LEU A 70 9.983 -11.755 1.234 1.00 0.00 O ATOM 901 CB LEU A 70 6.805 -12.289 0.746 1.00 0.00 C ATOM 902 CG LEU A 70 7.080 -10.828 0.352 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.264 -10.762 -0.614 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.841 -10.255 -0.339 1.00 0.00 C ATOM 0 H LEU A 70 7.764 -10.963 2.745 1.00 0.00 H new ATOM 0 HA LEU A 70 7.710 -13.871 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.767 -12.909 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.829 -12.362 1.225 1.00 0.00 H new ATOM 0 HG LEU A 70 7.312 -10.252 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.452 -9.724 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.150 -11.177 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.035 -11.338 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.028 -9.219 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.619 -10.840 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.992 -10.297 0.343 1.00 0.00 H new ATOM 916 N ARG A 71 9.687 -13.746 0.356 1.00 0.00 N ATOM 917 CA ARG A 71 11.043 -13.716 -0.265 1.00 0.00 C ATOM 918 C ARG A 71 11.191 -14.822 -1.318 1.00 0.00 C ATOM 919 O ARG A 71 10.235 -15.464 -1.701 1.00 0.00 O ATOM 920 CB ARG A 71 12.004 -13.956 0.905 1.00 0.00 C ATOM 921 CG ARG A 71 12.003 -15.443 1.282 1.00 0.00 C ATOM 922 CD ARG A 71 13.164 -15.728 2.238 1.00 0.00 C ATOM 923 NE ARG A 71 13.218 -17.213 2.342 1.00 0.00 N ATOM 924 CZ ARG A 71 13.586 -17.775 3.461 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.945 -17.511 4.566 1.00 0.00 N ATOM 926 NH2 ARG A 71 14.596 -18.601 3.475 1.00 0.00 N ATOM 0 H ARG A 71 9.145 -14.592 0.179 1.00 0.00 H new ATOM 0 HA ARG A 71 11.237 -12.776 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.011 -13.642 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.705 -13.354 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.057 -15.709 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.097 -16.056 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.101 -15.324 1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.995 -15.269 3.212 1.00 0.00 H new ATOM 0 HE ARG A 71 12.968 -17.790 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.156 -16.865 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.233 -17.951 5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.098 -18.807 2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.884 -19.040 4.350 1.00 0.00 H new ATOM 938 N ALA A 72 12.395 -15.055 -1.769 1.00 0.00 N ATOM 939 CA ALA A 72 12.633 -16.125 -2.781 1.00 0.00 C ATOM 940 C ALA A 72 11.659 -15.992 -3.954 1.00 0.00 C ATOM 941 O ALA A 72 11.924 -15.297 -4.914 1.00 0.00 O ATOM 942 CB ALA A 72 12.401 -17.437 -2.029 1.00 0.00 C ATOM 0 H ALA A 72 13.230 -14.546 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 72 13.635 -16.069 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.557 -18.277 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.101 -17.508 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.380 -17.463 -1.648 1.00 0.00 H new ATOM 948 N GLU A 73 10.539 -16.660 -3.894 1.00 0.00 N ATOM 949 CA GLU A 73 9.568 -16.575 -5.019 1.00 0.00 C ATOM 950 C GLU A 73 8.128 -16.591 -4.498 1.00 0.00 C ATOM 951 O GLU A 73 7.259 -17.215 -5.072 1.00 0.00 O ATOM 952 CB GLU A 73 9.853 -17.816 -5.866 1.00 0.00 C ATOM 953 CG GLU A 73 9.217 -19.049 -5.217 1.00 0.00 C ATOM 954 CD GLU A 73 9.893 -20.313 -5.750 1.00 0.00 C ATOM 955 OE1 GLU A 73 10.106 -20.386 -6.950 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.187 -21.186 -4.951 1.00 0.00 O ATOM 0 H GLU A 73 10.256 -17.258 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 73 9.675 -15.652 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.457 -17.679 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.929 -17.960 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.322 -18.997 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.149 -19.076 -5.433 1.00 0.00 H new ATOM 963 N ASP A 74 7.865 -15.907 -3.420 1.00 0.00 N ATOM 964 CA ASP A 74 6.477 -15.887 -2.882 1.00 0.00 C ATOM 965 C ASP A 74 5.549 -15.206 -3.876 1.00 0.00 C ATOM 966 O ASP A 74 5.959 -14.710 -4.907 1.00 0.00 O ATOM 967 CB ASP A 74 6.565 -15.108 -1.560 1.00 0.00 C ATOM 968 CG ASP A 74 5.304 -14.271 -1.313 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.055 -13.366 -2.092 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.611 -14.553 -0.349 1.00 0.00 O ATOM 0 H ASP A 74 8.547 -15.364 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 74 6.074 -16.886 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.707 -15.806 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.438 -14.455 -1.579 1.00 0.00 H new ATOM 975 N ALA A 75 4.302 -15.185 -3.556 1.00 0.00 N ATOM 976 CA ALA A 75 3.303 -14.542 -4.455 1.00 0.00 C ATOM 977 C ALA A 75 2.681 -13.326 -3.771 1.00 0.00 C ATOM 978 O ALA A 75 2.390 -13.345 -2.591 1.00 0.00 O ATOM 979 CB ALA A 75 2.244 -15.614 -4.708 1.00 0.00 C ATOM 0 H ALA A 75 3.917 -15.588 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 75 3.753 -14.189 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.471 -15.214 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.708 -16.480 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.796 -15.914 -3.761 1.00 0.00 H new ATOM 985 N LEU A 76 2.467 -12.269 -4.503 1.00 0.00 N ATOM 986 CA LEU A 76 1.856 -11.055 -3.893 1.00 0.00 C ATOM 987 C LEU A 76 1.202 -10.189 -4.965 1.00 0.00 C ATOM 988 O LEU A 76 1.618 -10.168 -6.107 1.00 0.00 O ATOM 989 CB LEU A 76 3.008 -10.299 -3.241 1.00 0.00 C ATOM 990 CG LEU A 76 2.496 -8.963 -2.700 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.571 -9.216 -1.508 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.683 -8.109 -2.250 1.00 0.00 C ATOM 0 H LEU A 76 2.688 -12.193 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 76 1.081 -11.317 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.435 -10.892 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.803 -10.129 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 76 1.946 -8.440 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.206 -8.264 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.726 -9.827 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.121 -9.738 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.320 -7.156 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.232 -8.632 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.344 -7.929 -3.098 1.00 0.00 H new ATOM 1004 N PHE A 77 0.182 -9.473 -4.595 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.521 -8.595 -5.569 1.00 0.00 C ATOM 1006 C PHE A 77 -1.296 -7.506 -4.825 1.00 0.00 C ATOM 1007 O PHE A 77 -2.150 -7.793 -4.009 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.493 -9.517 -6.300 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.737 -10.649 -6.952 1.00 0.00 C ATOM 1010 CD1 PHE A 77 0.004 -10.418 -8.116 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.776 -11.930 -6.388 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.706 -11.468 -8.719 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.073 -12.981 -6.991 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.668 -12.750 -8.156 1.00 0.00 C ATOM 0 H PHE A 77 -0.200 -9.457 -3.649 1.00 0.00 H new ATOM 0 HA PHE A 77 0.170 -8.098 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.227 -9.915 -5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.044 -8.955 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.034 -9.429 -8.549 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.348 -12.108 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.277 -11.290 -9.618 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.103 -13.970 -6.557 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.210 -13.560 -8.621 1.00 0.00 H new ATOM 1024 N PHE A 78 -1.009 -6.260 -5.090 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.739 -5.173 -4.389 1.00 0.00 C ATOM 1026 C PHE A 78 -3.018 -4.798 -5.142 1.00 0.00 C ATOM 1027 O PHE A 78 -2.993 -4.504 -6.322 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.778 -3.995 -4.394 1.00 0.00 C ATOM 1029 CG PHE A 78 0.479 -4.340 -3.634 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.533 -5.465 -2.803 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.588 -3.512 -3.758 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.707 -5.754 -2.092 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.761 -3.795 -3.054 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.822 -4.914 -2.217 1.00 0.00 C ATOM 0 H PHE A 78 -0.303 -5.952 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.038 -5.472 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.528 -3.726 -5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.256 -3.125 -3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.328 -6.110 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.543 -2.646 -4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.752 -6.621 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.621 -3.150 -3.156 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.727 -5.130 -1.668 1.00 0.00 H new ATOM 1044 N PHE A 79 -4.127 -4.778 -4.463 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.403 -4.392 -5.122 1.00 0.00 C ATOM 1046 C PHE A 79 -5.923 -3.106 -4.483 1.00 0.00 C ATOM 1047 O PHE A 79 -6.031 -3.000 -3.278 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.368 -5.541 -4.852 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.766 -6.839 -5.339 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -4.880 -7.555 -4.523 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -6.096 -7.329 -6.609 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -4.327 -8.758 -4.976 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -5.543 -8.531 -7.063 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.657 -9.246 -6.246 1.00 0.00 C ATOM 0 H PHE A 79 -4.206 -5.014 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.284 -4.216 -6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.581 -5.606 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.317 -5.358 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.624 -7.178 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.779 -6.778 -7.239 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.646 -9.310 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.799 -8.908 -8.042 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.229 -10.174 -6.596 1.00 0.00 H new ATOM 1064 N VAL A 80 -6.237 -2.126 -5.274 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.741 -0.845 -4.700 1.00 0.00 C ATOM 1066 C VAL A 80 -8.141 -0.541 -5.232 1.00 0.00 C ATOM 1067 O VAL A 80 -8.382 -0.558 -6.421 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.750 0.230 -5.154 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.852 1.429 -4.214 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -4.321 -0.324 -5.113 1.00 0.00 C ATOM 0 H VAL A 80 -6.168 -2.151 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.814 -0.890 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.987 0.532 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.149 2.200 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.866 1.828 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.614 1.116 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.622 0.447 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.078 -0.629 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.245 -1.185 -5.777 1.00 0.00 H new ATOM 1080 N ASN A 81 -9.067 -0.265 -4.356 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.454 0.038 -4.809 1.00 0.00 C ATOM 1082 C ASN A 81 -10.877 -0.944 -5.910 1.00 0.00 C ATOM 1083 O ASN A 81 -11.599 -0.596 -6.822 1.00 0.00 O ATOM 1084 CB ASN A 81 -10.412 1.485 -5.319 1.00 0.00 C ATOM 1085 CG ASN A 81 -9.894 1.530 -6.758 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -8.631 1.778 -6.975 1.00 0.00 O flip ATOM 1087 ND2 ASN A 81 -10.649 1.350 -7.691 1.00 0.00 N flip ATOM 0 H ASN A 81 -8.924 -0.236 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 81 -11.186 -0.069 -4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.409 1.923 -5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.769 2.085 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.636 1.156 -7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.297 1.392 -8.647 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.437 -2.174 -5.814 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.809 -3.208 -6.833 1.00 0.00 C ATOM 1096 C ASN A 82 -10.062 -2.983 -8.154 1.00 0.00 C ATOM 1097 O ASN A 82 -10.613 -3.157 -9.223 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.319 -3.058 -7.040 1.00 0.00 C ATOM 1099 CG ASN A 82 -13.004 -2.800 -5.695 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.418 -3.013 -4.651 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -14.227 -2.346 -5.676 1.00 0.00 N ATOM 0 H ASN A 82 -9.830 -2.511 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.540 -4.209 -6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.521 -2.235 -7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.724 -3.961 -7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.692 -2.170 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.718 -2.167 -6.552 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.811 -2.611 -8.095 1.00 0.00 N ATOM 1109 CA VAL A 83 -8.038 -2.394 -9.355 1.00 0.00 C ATOM 1110 C VAL A 83 -6.642 -3.016 -9.229 1.00 0.00 C ATOM 1111 O VAL A 83 -6.214 -3.381 -8.152 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.942 -0.875 -9.519 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.605 -0.531 -10.972 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.283 -0.234 -9.156 1.00 0.00 C ATOM 0 H VAL A 83 -8.291 -2.448 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.518 -2.859 -10.216 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.160 -0.496 -8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.538 0.551 -11.084 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.651 -0.983 -11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.386 -0.915 -11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.213 0.847 -9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.061 -0.621 -9.814 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.532 -0.471 -8.122 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.928 -3.118 -10.320 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.556 -3.711 -10.285 1.00 0.00 C ATOM 1126 C ILE A 84 -3.734 -3.170 -11.458 1.00 0.00 C ATOM 1127 O ILE A 84 -3.411 -3.895 -12.378 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.741 -5.225 -10.476 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.974 -5.735 -9.720 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.502 -5.955 -9.956 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.239 -5.427 -10.526 1.00 0.00 C ATOM 0 H ILE A 84 -6.239 -2.813 -11.242 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.045 -3.471 -9.353 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.882 -5.419 -11.539 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.891 -6.809 -9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.032 -5.263 -8.739 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.630 -7.029 -10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.624 -5.622 -10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.368 -5.735 -8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.113 -5.791 -9.985 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.325 -4.350 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.181 -5.920 -11.496 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.426 -1.903 -11.384 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.637 -1.243 -12.454 1.00 0.00 C ATOM 1145 C PRO A 85 -1.170 -1.683 -12.397 1.00 0.00 C ATOM 1146 O PRO A 85 -0.721 -2.233 -11.412 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.772 0.242 -12.131 1.00 0.00 C ATOM 1148 CG PRO A 85 -3.058 0.297 -10.664 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.782 -0.975 -10.304 1.00 0.00 C ATOM 0 HA PRO A 85 -2.985 -1.493 -13.456 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.858 0.783 -12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.577 0.699 -12.707 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.133 0.388 -10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.667 1.168 -10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.465 -1.353 -9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.860 -0.820 -10.250 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.474 -1.417 -13.469 1.00 0.00 N ATOM 1158 CA PRO A 86 0.963 -1.780 -13.563 1.00 0.00 C ATOM 1159 C PRO A 86 1.807 -0.872 -12.666 1.00 0.00 C ATOM 1160 O PRO A 86 1.300 0.010 -12.003 1.00 0.00 O ATOM 1161 CB PRO A 86 1.292 -1.554 -15.038 1.00 0.00 C ATOM 1162 CG PRO A 86 0.286 -0.554 -15.509 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.959 -0.759 -14.687 1.00 0.00 C ATOM 0 HA PRO A 86 1.171 -2.799 -13.237 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.308 -1.181 -15.163 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.221 -2.482 -15.605 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.665 0.461 -15.388 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.074 -0.690 -16.570 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.449 0.188 -14.461 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.687 -1.377 -15.212 1.00 0.00 H new ATOM 1171 N THR A 87 3.094 -1.090 -12.635 1.00 0.00 N ATOM 1172 CA THR A 87 3.974 -0.245 -11.772 1.00 0.00 C ATOM 1173 C THR A 87 4.416 1.015 -12.515 1.00 0.00 C ATOM 1174 O THR A 87 5.390 1.650 -12.163 1.00 0.00 O ATOM 1175 CB THR A 87 5.185 -1.116 -11.454 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.476 -1.949 -12.567 1.00 0.00 O ATOM 1177 CG2 THR A 87 4.893 -1.981 -10.226 1.00 0.00 C ATOM 0 H THR A 87 3.575 -1.815 -13.168 1.00 0.00 H new ATOM 0 HA THR A 87 3.454 0.083 -10.872 1.00 0.00 H new ATOM 0 HB THR A 87 6.043 -0.477 -11.245 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.255 -2.507 -12.363 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.761 -2.601 -10.003 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.677 -1.339 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.033 -2.620 -10.427 1.00 0.00 H new ATOM 1185 N SER A 88 3.702 1.381 -13.532 1.00 0.00 N ATOM 1186 CA SER A 88 4.065 2.605 -14.303 1.00 0.00 C ATOM 1187 C SER A 88 3.347 3.816 -13.705 1.00 0.00 C ATOM 1188 O SER A 88 2.866 4.682 -14.408 1.00 0.00 O ATOM 1189 CB SER A 88 3.586 2.340 -15.729 1.00 0.00 C ATOM 1190 OG SER A 88 2.370 1.609 -15.687 1.00 0.00 O ATOM 0 H SER A 88 2.876 0.886 -13.870 1.00 0.00 H new ATOM 0 HA SER A 88 5.134 2.816 -14.276 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.439 3.282 -16.257 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.341 1.780 -16.281 1.00 0.00 H new ATOM 0 HG SER A 88 1.633 2.213 -15.456 1.00 0.00 H new ATOM 1196 N ALA A 89 3.271 3.870 -12.405 1.00 0.00 N ATOM 1197 CA ALA A 89 2.582 5.010 -11.735 1.00 0.00 C ATOM 1198 C ALA A 89 3.284 5.346 -10.424 1.00 0.00 C ATOM 1199 O ALA A 89 4.320 4.801 -10.099 1.00 0.00 O ATOM 1200 CB ALA A 89 1.163 4.509 -11.467 1.00 0.00 C ATOM 0 H ALA A 89 3.659 3.169 -11.773 1.00 0.00 H new ATOM 0 HA ALA A 89 2.588 5.915 -12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.588 5.292 -10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.685 4.248 -12.411 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.203 3.629 -10.825 1.00 0.00 H new ATOM 1206 N THR A 90 2.728 6.248 -9.673 1.00 0.00 N ATOM 1207 CA THR A 90 3.360 6.635 -8.379 1.00 0.00 C ATOM 1208 C THR A 90 2.291 6.823 -7.301 1.00 0.00 C ATOM 1209 O THR A 90 1.154 7.140 -7.587 1.00 0.00 O ATOM 1210 CB THR A 90 4.069 7.958 -8.668 1.00 0.00 C ATOM 1211 OG1 THR A 90 3.114 8.925 -9.080 1.00 0.00 O ATOM 1212 CG2 THR A 90 5.101 7.753 -9.776 1.00 0.00 C ATOM 0 H THR A 90 1.861 6.737 -9.896 1.00 0.00 H new ATOM 0 HA THR A 90 4.048 5.874 -8.011 1.00 0.00 H new ATOM 0 HB THR A 90 4.572 8.306 -7.766 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.567 9.774 -9.264 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.606 8.697 -9.982 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.833 7.011 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.600 7.405 -10.680 1.00 0.00 H new ATOM 1220 N MET A 91 2.650 6.624 -6.062 1.00 0.00 N ATOM 1221 CA MET A 91 1.655 6.786 -4.961 1.00 0.00 C ATOM 1222 C MET A 91 1.049 8.191 -5.008 1.00 0.00 C ATOM 1223 O MET A 91 -0.140 8.377 -4.828 1.00 0.00 O ATOM 1224 CB MET A 91 2.441 6.588 -3.658 1.00 0.00 C ATOM 1225 CG MET A 91 2.958 5.147 -3.548 1.00 0.00 C ATOM 1226 SD MET A 91 1.621 3.977 -3.897 1.00 0.00 S ATOM 1227 CE MET A 91 1.073 3.740 -2.190 1.00 0.00 C ATOM 0 H MET A 91 3.588 6.356 -5.764 1.00 0.00 H new ATOM 0 HA MET A 91 0.835 6.073 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.279 7.284 -3.624 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.803 6.816 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.779 4.993 -4.248 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.355 4.970 -2.548 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.310 2.962 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.921 3.443 -1.573 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.656 4.672 -1.809 1.00 0.00 H new ATOM 1237 N GLY A 92 1.861 9.184 -5.248 1.00 0.00 N ATOM 1238 CA GLY A 92 1.334 10.574 -5.308 1.00 0.00 C ATOM 1239 C GLY A 92 0.154 10.631 -6.274 1.00 0.00 C ATOM 1240 O GLY A 92 -0.889 11.172 -5.966 1.00 0.00 O ATOM 0 H GLY A 92 2.865 9.092 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.021 10.898 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.118 11.257 -5.634 1.00 0.00 H new ATOM 1244 N GLN A 93 0.311 10.075 -7.440 1.00 0.00 N ATOM 1245 CA GLN A 93 -0.805 10.095 -8.425 1.00 0.00 C ATOM 1246 C GLN A 93 -1.980 9.268 -7.890 1.00 0.00 C ATOM 1247 O GLN A 93 -3.124 9.511 -8.218 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.214 9.504 -9.719 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.540 8.009 -9.850 1.00 0.00 C ATOM 1250 CD GLN A 93 -1.970 7.842 -10.369 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -2.727 8.792 -10.415 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -2.374 6.666 -10.765 1.00 0.00 N ATOM 0 H GLN A 93 1.162 9.608 -7.754 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.197 11.096 -8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.610 10.041 -10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.867 9.644 -9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.164 7.531 -10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.433 7.516 -8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.739 5.869 -10.726 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.325 6.544 -11.113 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.704 8.297 -7.058 1.00 0.00 N ATOM 1262 CA LEU A 94 -2.806 7.470 -6.496 1.00 0.00 C ATOM 1263 C LEU A 94 -3.646 8.307 -5.536 1.00 0.00 C ATOM 1264 O LEU A 94 -4.790 8.013 -5.278 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.106 6.312 -5.770 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.099 6.533 -4.251 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.422 6.044 -3.656 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -0.945 5.748 -3.631 1.00 0.00 C ATOM 0 H LEU A 94 -0.766 8.044 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.488 7.100 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.612 5.375 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.082 6.219 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.976 7.595 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.416 6.201 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.248 6.600 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.545 4.982 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.938 5.903 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.071 4.686 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.001 6.093 -4.054 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.085 9.340 -4.988 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.873 10.162 -4.039 1.00 0.00 C ATOM 1282 C TYR A 95 -5.230 10.502 -4.664 1.00 0.00 C ATOM 1283 O TYR A 95 -6.264 10.198 -4.113 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.032 11.420 -3.808 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.104 11.808 -2.352 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.927 10.835 -1.362 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.352 13.137 -1.991 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.995 11.191 -0.010 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.420 13.494 -0.639 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.242 12.521 0.352 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.309 12.873 1.684 1.00 0.00 O ATOM 0 H TYR A 95 -2.127 9.649 -5.152 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.078 9.650 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.997 11.237 -4.097 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.398 12.235 -4.432 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.738 9.809 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.491 13.887 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.857 10.440 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.610 14.520 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.486 13.834 1.760 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.241 11.113 -5.812 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.541 11.451 -6.466 1.00 0.00 C ATOM 1303 C GLN A 96 -7.250 10.190 -6.989 1.00 0.00 C ATOM 1304 O GLN A 96 -8.416 10.222 -7.329 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.169 12.372 -7.628 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.294 13.382 -7.861 1.00 0.00 C ATOM 1307 CD GLN A 96 -6.890 14.350 -8.974 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -6.755 13.959 -10.116 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -6.690 15.607 -8.687 1.00 0.00 N ATOM 0 H GLN A 96 -4.408 11.395 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.231 11.920 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.238 12.894 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.000 11.785 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.213 12.862 -8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.499 13.932 -6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.803 15.935 -7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.420 16.261 -9.422 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.545 9.095 -7.104 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.173 7.852 -7.663 1.00 0.00 C ATOM 1320 C GLU A 97 -7.864 6.978 -6.600 1.00 0.00 C ATOM 1321 O GLU A 97 -9.052 6.731 -6.676 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.018 7.081 -8.304 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.167 7.111 -9.826 1.00 0.00 C ATOM 1324 CD GLU A 97 -7.234 6.101 -10.254 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -8.204 5.950 -9.530 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -7.063 5.497 -11.301 1.00 0.00 O ATOM 0 H GLU A 97 -5.565 9.004 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.964 8.117 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.065 7.523 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.013 6.051 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.446 8.112 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.215 6.873 -10.300 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.131 6.452 -5.654 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.745 5.540 -4.652 1.00 0.00 C ATOM 1335 C HIS A 98 -8.093 6.254 -3.339 1.00 0.00 C ATOM 1336 O HIS A 98 -7.998 5.682 -2.265 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.654 4.504 -4.421 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.236 3.925 -5.743 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.102 3.837 -6.821 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.046 3.401 -6.174 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -6.425 3.276 -7.839 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -5.165 2.991 -7.498 1.00 0.00 N ATOM 0 H HIS A 98 -6.132 6.617 -5.534 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.690 5.124 -5.001 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.799 4.963 -3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.018 3.715 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.150 3.319 -5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.848 3.080 -8.813 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.446 2.565 -8.082 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.515 7.486 -3.414 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.894 8.221 -2.174 1.00 0.00 C ATOM 1352 C HIS A 99 -10.422 8.390 -2.099 1.00 0.00 C ATOM 1353 O HIS A 99 -11.142 8.025 -3.007 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.182 9.571 -2.289 1.00 0.00 C ATOM 1355 CG HIS A 99 -8.727 10.375 -3.445 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -9.647 9.873 -4.357 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -8.480 11.664 -3.845 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -9.914 10.847 -5.244 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -9.228 11.960 -4.978 1.00 0.00 N ATOM 0 H HIS A 99 -8.614 8.016 -4.280 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.605 7.693 -1.265 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.305 10.131 -1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.112 9.411 -2.425 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.047 8.935 -4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.804 12.347 -3.352 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.600 10.742 -6.071 1.00 0.00 H new ATOM 1429 N PHE A 104 -7.102 9.163 4.650 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.980 8.512 3.906 1.00 0.00 C ATOM 1431 C PHE A 104 -6.513 7.744 2.691 1.00 0.00 C ATOM 1432 O PHE A 104 -7.688 7.781 2.389 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.339 7.543 4.909 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.233 8.204 6.263 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.695 9.493 6.373 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -5.669 7.529 7.409 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.596 10.105 7.627 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -5.569 8.141 8.663 1.00 0.00 C ATOM 1439 CZ PHE A 104 -5.033 9.429 8.773 1.00 0.00 C ATOM 0 HA PHE A 104 -5.265 9.244 3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.937 6.634 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.350 7.246 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.357 10.014 5.490 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.083 6.535 7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.182 11.099 7.711 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.906 7.619 9.547 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.956 9.901 9.741 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.656 7.036 2.001 1.00 0.00 N ATOM 1450 CA LEU A 105 -6.121 6.252 0.813 1.00 0.00 C ATOM 1451 C LEU A 105 -6.318 4.785 1.224 1.00 0.00 C ATOM 1452 O LEU A 105 -5.888 4.377 2.284 1.00 0.00 O ATOM 1453 CB LEU A 105 -5.015 6.418 -0.253 1.00 0.00 C ATOM 1454 CG LEU A 105 -4.064 5.215 -0.244 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.592 4.144 -1.201 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.672 5.663 -0.698 1.00 0.00 C ATOM 0 H LEU A 105 -4.659 6.966 2.206 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.077 6.597 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.467 6.522 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.454 7.332 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.003 4.805 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.918 3.288 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.584 3.826 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.651 4.554 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.995 4.809 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.732 6.071 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.297 6.428 -0.019 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.977 3.991 0.421 1.00 0.00 N ATOM 1469 CA TYR A 106 -7.197 2.569 0.824 1.00 0.00 C ATOM 1470 C TYR A 106 -6.550 1.587 -0.164 1.00 0.00 C ATOM 1471 O TYR A 106 -6.865 1.567 -1.337 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.719 2.376 0.841 1.00 0.00 C ATOM 1473 CG TYR A 106 -9.378 3.257 -0.198 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -9.657 4.597 0.097 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.704 2.734 -1.453 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -10.262 5.413 -0.866 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.310 3.550 -2.416 1.00 0.00 C ATOM 1478 CZ TYR A 106 -10.589 4.890 -2.123 1.00 0.00 C ATOM 1479 OH TYR A 106 -11.184 5.694 -3.071 1.00 0.00 O ATOM 0 H TYR A 106 -7.367 4.259 -0.483 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.742 2.368 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.961 1.331 0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.111 2.615 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.406 5.001 1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.488 1.700 -1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.477 6.447 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.562 3.145 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.594 6.469 -2.632 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.661 0.754 0.320 1.00 0.00 N ATOM 1490 CA ILE A 107 -5.002 -0.257 -0.560 1.00 0.00 C ATOM 1491 C ILE A 107 -4.835 -1.569 0.217 1.00 0.00 C ATOM 1492 O ILE A 107 -4.678 -1.569 1.420 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.634 0.344 -0.920 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.780 1.247 -2.144 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.636 -0.775 -1.245 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -2.470 2.002 -2.382 1.00 0.00 C ATOM 0 H ILE A 107 -5.362 0.732 1.295 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.582 -0.478 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 107 -3.269 0.921 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.033 0.651 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.596 1.953 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.670 -0.339 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.524 -1.426 -0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.004 -1.357 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.575 2.646 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.237 2.610 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.664 1.288 -2.552 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.861 -2.685 -0.457 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.695 -3.986 0.255 1.00 0.00 C ATOM 1510 C ALA A 108 -3.804 -4.917 -0.562 1.00 0.00 C ATOM 1511 O ALA A 108 -3.386 -4.585 -1.651 1.00 0.00 O ATOM 1512 CB ALA A 108 -6.108 -4.559 0.376 1.00 0.00 C ATOM 0 H ALA A 108 -4.989 -2.754 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.224 -3.868 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.068 -5.519 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.733 -3.869 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.531 -4.698 -0.619 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.506 -6.081 -0.054 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.647 -7.016 -0.833 1.00 0.00 C ATOM 1520 C TYR A 109 -2.893 -8.460 -0.425 1.00 0.00 C ATOM 1521 O TYR A 109 -3.467 -8.750 0.606 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.194 -6.621 -0.559 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.922 -6.486 0.926 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.578 -5.505 1.684 1.00 0.00 C ATOM 1525 CD2 TYR A 109 0.008 -7.336 1.546 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -1.306 -5.379 3.050 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.276 -7.204 2.909 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.379 -6.226 3.661 1.00 0.00 C ATOM 1529 OH TYR A 109 -0.114 -6.098 5.007 1.00 0.00 O ATOM 0 H TYR A 109 -3.816 -6.422 0.856 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.878 -6.946 -1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.526 -7.370 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.973 -5.677 -1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.293 -4.847 1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.516 -8.093 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.814 -4.625 3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.991 -7.859 3.383 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.827 -5.577 5.433 1.00 0.00 H new ATOM 1539 N SER A 110 -2.455 -9.366 -1.245 1.00 0.00 N ATOM 1540 CA SER A 110 -2.647 -10.814 -0.944 1.00 0.00 C ATOM 1541 C SER A 110 -1.648 -11.654 -1.740 1.00 0.00 C ATOM 1542 O SER A 110 -0.829 -11.134 -2.470 1.00 0.00 O ATOM 1543 CB SER A 110 -4.076 -11.122 -1.384 1.00 0.00 C ATOM 1544 OG SER A 110 -4.588 -12.195 -0.605 1.00 0.00 O ATOM 0 H SER A 110 -1.968 -9.169 -2.119 1.00 0.00 H new ATOM 0 HA SER A 110 -2.487 -11.043 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.704 -10.239 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.094 -11.385 -2.442 1.00 0.00 H new ATOM 0 HG SER A 110 -5.506 -12.393 -0.885 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.711 -12.951 -1.611 1.00 0.00 N ATOM 1551 CA ASP A 111 -0.766 -13.823 -2.365 1.00 0.00 C ATOM 1552 C ASP A 111 -1.536 -14.719 -3.339 1.00 0.00 C ATOM 1553 O ASP A 111 -1.115 -15.813 -3.657 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.066 -14.665 -1.298 1.00 0.00 C ATOM 1555 CG ASP A 111 -1.083 -15.602 -0.641 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -1.923 -15.110 0.093 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -1.002 -16.795 -0.884 1.00 0.00 O ATOM 0 H ASP A 111 -2.376 -13.445 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.056 -13.247 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.741 -15.244 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.386 -14.017 -0.547 1.00 0.00 H new