USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 Single : A 12 LYS NZ :NH3+ -139:sc= -1.75 (180deg=-4.86!) USER MOD Single : A 15 THR OG1 : rot -8:sc= -1.3 USER MOD Single : A 19 THR OG1 : rot 95:sc= -0.949 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0691 (180deg=-0.535) USER MOD Single : A 23 GLN : amide:sc= -3.78! K(o=-3.8!,f=-1.9) USER MOD Single : A 28 GLN : amide:sc= -5.48! K(o=-5.5!,f=-0.83) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -161:sc= -0.0386 (180deg=-0.543) USER MOD Single : A 33 MET CE :methyl -123:sc=-0.00737 (180deg=-0.0729) USER MOD Single : A 36 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.15) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 88:sc= 0.183 USER MOD Single : A 88 SER OG : rot 25:sc= 0.066 USER MOD Single : A 90 THR OG1 : rot 104:sc= 0.537! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 108:sc= -1.97! USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -0.192 (180deg=-1.06) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -13:sc= 0.224 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 102 SER OG : rot 180:sc= -0.126 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.194 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -11.333 -20.410 -4.631 1.00 0.00 N ATOM 108 CA PHE A 7 -10.579 -19.229 -4.235 1.00 0.00 C ATOM 109 C PHE A 7 -11.133 -17.993 -4.922 1.00 0.00 C ATOM 110 O PHE A 7 -11.351 -16.962 -4.285 1.00 0.00 O ATOM 111 CB PHE A 7 -9.097 -19.403 -4.561 1.00 0.00 C ATOM 112 CG PHE A 7 -8.341 -18.158 -4.154 1.00 0.00 C ATOM 113 CD1 PHE A 7 -8.296 -17.779 -2.806 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.670 -17.393 -5.118 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.582 -16.637 -2.422 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.959 -16.250 -4.733 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.914 -15.872 -3.385 1.00 0.00 C ATOM 0 HA PHE A 7 -10.680 -19.101 -3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.698 -20.271 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.968 -19.587 -5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.812 -18.368 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.701 -17.685 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.547 -16.347 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.445 -15.659 -5.476 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.364 -14.991 -3.089 1.00 0.00 H new ATOM 127 N ALA A 8 -11.372 -18.104 -6.222 1.00 0.00 N ATOM 128 CA ALA A 8 -11.917 -16.987 -6.974 1.00 0.00 C ATOM 129 C ALA A 8 -13.255 -16.598 -6.371 1.00 0.00 C ATOM 130 O ALA A 8 -13.569 -15.418 -6.241 1.00 0.00 O ATOM 131 CB ALA A 8 -12.106 -17.380 -8.440 1.00 0.00 C ATOM 0 H ALA A 8 -11.199 -18.946 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.227 -16.144 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.515 -16.535 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.144 -17.663 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.794 -18.223 -8.505 1.00 0.00 H new ATOM 137 N ARG A 9 -14.036 -17.598 -5.984 1.00 0.00 N ATOM 138 CA ARG A 9 -15.329 -17.332 -5.376 1.00 0.00 C ATOM 139 C ARG A 9 -15.158 -16.628 -4.038 1.00 0.00 C ATOM 140 O ARG A 9 -15.912 -15.724 -3.713 1.00 0.00 O ATOM 141 CB ARG A 9 -16.096 -18.631 -5.141 1.00 0.00 C ATOM 142 CG ARG A 9 -16.502 -19.259 -6.480 1.00 0.00 C ATOM 143 CD ARG A 9 -17.219 -20.584 -6.224 1.00 0.00 C ATOM 144 NE ARG A 9 -18.469 -20.349 -5.495 1.00 0.00 N ATOM 145 CZ ARG A 9 -18.593 -20.604 -4.188 1.00 0.00 C ATOM 146 NH1 ARG A 9 -17.576 -21.039 -3.493 1.00 0.00 N ATOM 147 NH2 ARG A 9 -19.740 -20.403 -3.598 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.800 -18.586 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.887 -16.695 -6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.478 -19.329 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.984 -18.434 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.154 -18.580 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.620 -19.424 -7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.429 -21.081 -7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.574 -21.250 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.272 -19.978 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.675 -21.188 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.683 -21.230 -2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.535 -20.054 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.842 -20.595 -2.601 1.00 0.00 H new ATOM 161 N LEU A 10 -14.174 -17.053 -3.253 1.00 0.00 N ATOM 162 CA LEU A 10 -13.954 -16.443 -1.948 1.00 0.00 C ATOM 163 C LEU A 10 -13.466 -15.012 -2.081 1.00 0.00 C ATOM 164 O LEU A 10 -13.919 -14.116 -1.368 1.00 0.00 O ATOM 165 CB LEU A 10 -12.908 -17.247 -1.183 1.00 0.00 C ATOM 166 CG LEU A 10 -13.479 -18.613 -0.737 1.00 0.00 C ATOM 167 CD1 LEU A 10 -12.341 -19.498 -0.204 1.00 0.00 C ATOM 168 CD2 LEU A 10 -14.546 -18.432 0.369 1.00 0.00 C ATOM 0 H LEU A 10 -13.527 -17.804 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.904 -16.440 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.032 -17.403 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.578 -16.684 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.948 -19.087 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.745 -20.460 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.602 -19.654 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.867 -19.008 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.932 -19.407 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.096 -17.942 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.363 -17.819 -0.011 1.00 0.00 H new ATOM 180 N VAL A 11 -12.538 -14.811 -2.994 1.00 0.00 N ATOM 181 CA VAL A 11 -11.990 -13.485 -3.213 1.00 0.00 C ATOM 182 C VAL A 11 -13.090 -12.598 -3.762 1.00 0.00 C ATOM 183 O VAL A 11 -13.288 -11.470 -3.310 1.00 0.00 O ATOM 184 CB VAL A 11 -10.814 -13.542 -4.196 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.332 -12.126 -4.512 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.656 -14.344 -3.588 1.00 0.00 C ATOM 0 H VAL A 11 -12.149 -15.540 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.618 -13.081 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.149 -14.028 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.497 -12.173 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.146 -11.556 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.009 -11.638 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.827 -14.378 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.327 -13.866 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.990 -15.359 -3.372 1.00 0.00 H new ATOM 196 N LYS A 12 -13.822 -13.140 -4.726 1.00 0.00 N ATOM 197 CA LYS A 12 -14.925 -12.421 -5.324 1.00 0.00 C ATOM 198 C LYS A 12 -15.985 -12.135 -4.279 1.00 0.00 C ATOM 199 O LYS A 12 -16.604 -11.082 -4.295 1.00 0.00 O ATOM 200 CB LYS A 12 -15.536 -13.229 -6.471 1.00 0.00 C ATOM 201 CG LYS A 12 -14.602 -13.175 -7.681 1.00 0.00 C ATOM 202 CD LYS A 12 -15.030 -14.197 -8.739 1.00 0.00 C ATOM 203 CE LYS A 12 -16.351 -13.771 -9.395 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.659 -14.693 -10.524 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.668 -14.074 -5.106 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.547 -11.479 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.689 -14.263 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.514 -12.826 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.612 -12.173 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.578 -13.377 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.254 -14.290 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.145 -15.179 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.158 -13.792 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.277 -12.746 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.028 -14.146 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.792 -15.190 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.372 -15.387 -10.221 1.00 0.00 H new ATOM 218 N GLU A 13 -16.208 -13.091 -3.385 1.00 0.00 N ATOM 219 CA GLU A 13 -17.225 -12.916 -2.357 1.00 0.00 C ATOM 220 C GLU A 13 -16.885 -11.774 -1.402 1.00 0.00 C ATOM 221 O GLU A 13 -17.729 -10.930 -1.133 1.00 0.00 O ATOM 222 CB GLU A 13 -17.387 -14.233 -1.604 1.00 0.00 C ATOM 223 CG GLU A 13 -18.232 -15.209 -2.447 1.00 0.00 C ATOM 224 CD GLU A 13 -19.717 -15.064 -2.115 1.00 0.00 C ATOM 225 OE1 GLU A 13 -20.130 -15.593 -1.097 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.415 -14.427 -2.886 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.708 -13.980 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.166 -12.644 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.409 -14.668 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.868 -14.057 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.071 -15.015 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.910 -16.233 -2.258 1.00 0.00 H new ATOM 233 N VAL A 14 -15.644 -11.723 -0.924 1.00 0.00 N ATOM 234 CA VAL A 14 -15.234 -10.638 -0.027 1.00 0.00 C ATOM 235 C VAL A 14 -15.377 -9.316 -0.743 1.00 0.00 C ATOM 236 O VAL A 14 -15.868 -8.323 -0.196 1.00 0.00 O ATOM 237 CB VAL A 14 -13.766 -10.823 0.389 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.239 -9.556 1.073 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.671 -11.971 1.378 1.00 0.00 C ATOM 0 H VAL A 14 -14.915 -12.404 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.866 -10.654 0.861 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.174 -11.029 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.198 -9.704 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.308 -8.715 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.835 -9.347 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.632 -12.108 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.275 -11.745 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.037 -12.885 0.911 1.00 0.00 H new ATOM 249 N THR A 15 -14.921 -9.321 -1.967 1.00 0.00 N ATOM 250 CA THR A 15 -14.959 -8.139 -2.779 1.00 0.00 C ATOM 251 C THR A 15 -16.381 -7.762 -3.111 1.00 0.00 C ATOM 252 O THR A 15 -16.686 -6.595 -3.248 1.00 0.00 O ATOM 253 CB THR A 15 -14.214 -8.380 -4.072 1.00 0.00 C ATOM 254 OG1 THR A 15 -14.805 -9.475 -4.741 1.00 0.00 O ATOM 255 CG2 THR A 15 -12.733 -8.669 -3.803 1.00 0.00 C ATOM 0 H THR A 15 -14.516 -10.138 -2.424 1.00 0.00 H new ATOM 0 HA THR A 15 -14.492 -7.330 -2.217 1.00 0.00 H new ATOM 0 HB THR A 15 -14.275 -7.486 -4.692 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.464 -9.900 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.218 -8.839 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.283 -7.817 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.643 -9.556 -3.176 1.00 0.00 H new ATOM 263 N ASP A 16 -17.245 -8.753 -3.255 1.00 0.00 N ATOM 264 CA ASP A 16 -18.629 -8.473 -3.577 1.00 0.00 C ATOM 265 C ASP A 16 -19.261 -7.676 -2.445 1.00 0.00 C ATOM 266 O ASP A 16 -20.086 -6.790 -2.670 1.00 0.00 O ATOM 267 CB ASP A 16 -19.408 -9.765 -3.801 1.00 0.00 C ATOM 268 CG ASP A 16 -18.979 -10.415 -5.112 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.319 -9.750 -5.892 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.318 -11.570 -5.315 1.00 0.00 O1- ATOM 0 H ASP A 16 -17.016 -9.742 -3.156 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.662 -7.892 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.235 -10.451 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.477 -9.555 -3.823 1.00 0.00 H new ATOM 275 N GLU A 17 -18.853 -8.002 -1.223 1.00 0.00 N ATOM 276 CA GLU A 17 -19.367 -7.318 -0.045 1.00 0.00 C ATOM 277 C GLU A 17 -18.954 -5.865 -0.117 1.00 0.00 C ATOM 278 O GLU A 17 -19.726 -4.958 0.189 1.00 0.00 O ATOM 279 CB GLU A 17 -18.788 -7.938 1.234 1.00 0.00 C ATOM 280 CG GLU A 17 -19.258 -9.385 1.372 1.00 0.00 C ATOM 281 CD GLU A 17 -18.930 -9.911 2.766 1.00 0.00 C ATOM 282 OE1 GLU A 17 -18.308 -9.182 3.522 1.00 0.00 O ATOM 283 OE2 GLU A 17 -19.306 -11.033 3.058 1.00 0.00 O1- ATOM 0 H GLU A 17 -18.170 -8.733 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.453 -7.412 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.699 -7.902 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.103 -7.360 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.332 -9.445 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.775 -10.006 0.617 1.00 0.00 H new ATOM 290 N PHE A 18 -17.722 -5.666 -0.544 1.00 0.00 N ATOM 291 CA PHE A 18 -17.178 -4.330 -0.690 1.00 0.00 C ATOM 292 C PHE A 18 -17.854 -3.660 -1.878 1.00 0.00 C ATOM 293 O PHE A 18 -18.212 -2.482 -1.842 1.00 0.00 O ATOM 294 CB PHE A 18 -15.682 -4.446 -0.962 1.00 0.00 C ATOM 295 CG PHE A 18 -14.955 -5.226 0.110 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.580 -5.682 1.295 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.614 -5.530 -0.123 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.843 -6.419 2.216 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.895 -6.261 0.801 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.503 -6.702 1.965 1.00 0.00 C ATOM 0 H PHE A 18 -17.077 -6.415 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.348 -3.744 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.528 -4.931 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.251 -3.447 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.620 -5.460 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.136 -5.192 -1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.309 -6.771 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.856 -6.490 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.932 -7.271 2.684 1.00 0.00 H new ATOM 310 N THR A 19 -18.019 -4.453 -2.929 1.00 0.00 N ATOM 311 CA THR A 19 -18.647 -4.016 -4.160 1.00 0.00 C ATOM 312 C THR A 19 -20.150 -4.128 -4.036 1.00 0.00 C ATOM 313 O THR A 19 -20.878 -3.981 -5.018 1.00 0.00 O ATOM 314 CB THR A 19 -18.146 -4.857 -5.343 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.769 -5.151 -5.164 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.333 -4.082 -6.648 1.00 0.00 C ATOM 0 H THR A 19 -17.716 -5.427 -2.947 1.00 0.00 H new ATOM 0 HA THR A 19 -18.383 -2.974 -4.342 1.00 0.00 H new ATOM 0 HB THR A 19 -18.717 -5.784 -5.390 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.675 -6.026 -4.734 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.976 -4.684 -7.483 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.390 -3.857 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.767 -3.152 -6.603 1.00 0.00 H new ATOM 324 N THR A 20 -20.619 -4.377 -2.815 1.00 0.00 N ATOM 325 CA THR A 20 -22.055 -4.485 -2.567 1.00 0.00 C ATOM 326 C THR A 20 -22.774 -3.346 -3.280 1.00 0.00 C ATOM 327 O THR A 20 -23.983 -3.391 -3.507 1.00 0.00 O ATOM 328 CB THR A 20 -22.347 -4.441 -1.066 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.752 -4.455 -0.860 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.750 -3.168 -0.462 1.00 0.00 C ATOM 0 H THR A 20 -20.033 -4.507 -1.990 1.00 0.00 H new ATOM 0 HA THR A 20 -22.414 -5.439 -2.953 1.00 0.00 H new ATOM 0 HB THR A 20 -21.900 -5.310 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.942 -4.428 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.960 -3.140 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.672 -3.161 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.193 -2.295 -0.942 1.00 0.00 H new ATOM 338 N LYS A 21 -21.986 -2.352 -3.680 1.00 0.00 N ATOM 339 CA LYS A 21 -22.486 -1.217 -4.425 1.00 0.00 C ATOM 340 C LYS A 21 -22.854 -1.669 -5.829 1.00 0.00 C ATOM 341 O LYS A 21 -22.873 -0.867 -6.760 1.00 0.00 O ATOM 342 CB LYS A 21 -21.404 -0.150 -4.524 1.00 0.00 C ATOM 343 CG LYS A 21 -21.144 0.441 -3.149 1.00 0.00 C ATOM 344 CD LYS A 21 -20.058 1.501 -3.275 1.00 0.00 C ATOM 345 CE LYS A 21 -19.771 2.098 -1.903 1.00 0.00 C ATOM 346 NZ LYS A 21 -20.990 2.789 -1.395 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.984 -2.317 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.359 -0.808 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.487 -0.583 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.714 0.634 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.057 0.880 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.833 -0.339 -2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.151 1.061 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.376 2.283 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.470 1.313 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.941 2.802 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.721 3.466 -0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.452 3.297 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.648 2.087 -1.001 1.00 0.00 H new ATOM 360 N ASP A 22 -23.136 -2.963 -5.984 1.00 0.00 N ATOM 361 CA ASP A 22 -23.498 -3.497 -7.284 1.00 0.00 C ATOM 362 C ASP A 22 -24.886 -3.010 -7.649 1.00 0.00 C ATOM 363 O ASP A 22 -25.725 -3.765 -8.140 1.00 0.00 O ATOM 364 CB ASP A 22 -23.475 -5.025 -7.260 1.00 0.00 C ATOM 365 CG ASP A 22 -23.602 -5.570 -8.678 1.00 0.00 C ATOM 366 OD1 ASP A 22 -23.938 -4.797 -9.561 1.00 0.00 O ATOM 367 OD2 ASP A 22 -23.363 -6.752 -8.861 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.119 -3.650 -5.230 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.777 -3.153 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.547 -5.376 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.292 -5.400 -6.643 1.00 0.00 H new ATOM 372 N GLN A 23 -25.107 -1.732 -7.391 1.00 0.00 N ATOM 373 CA GLN A 23 -26.379 -1.101 -7.672 1.00 0.00 C ATOM 374 C GLN A 23 -26.755 -1.298 -9.129 1.00 0.00 C ATOM 375 O GLN A 23 -27.926 -1.222 -9.493 1.00 0.00 O ATOM 376 CB GLN A 23 -26.288 0.396 -7.330 1.00 0.00 C ATOM 377 CG GLN A 23 -25.107 1.070 -8.093 1.00 0.00 C ATOM 378 CD GLN A 23 -24.150 1.778 -7.123 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.580 2.609 -6.322 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.870 1.492 -7.148 1.00 0.00 N ATOM 0 H GLN A 23 -24.411 -1.108 -6.983 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.156 -1.560 -7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.224 0.890 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.150 0.520 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.561 0.317 -8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.499 1.790 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.514 0.804 -7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.231 1.958 -6.504 1.00 0.00 H new ATOM 389 N ASP A 24 -25.751 -1.565 -9.951 1.00 0.00 N ATOM 390 CA ASP A 24 -25.967 -1.790 -11.367 1.00 0.00 C ATOM 391 C ASP A 24 -24.670 -2.246 -12.021 1.00 0.00 C ATOM 392 O ASP A 24 -24.654 -2.606 -13.198 1.00 0.00 O ATOM 393 CB ASP A 24 -26.464 -0.490 -12.029 1.00 0.00 C ATOM 394 CG ASP A 24 -27.991 -0.370 -11.967 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.645 -1.368 -11.714 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.482 0.726 -12.176 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.776 -1.631 -9.657 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.721 -2.567 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.011 0.368 -11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.139 -0.464 -13.069 1.00 0.00 H new ATOM 401 N LEU A 25 -23.588 -2.225 -11.252 1.00 0.00 N ATOM 402 CA LEU A 25 -22.285 -2.627 -11.786 1.00 0.00 C ATOM 403 C LEU A 25 -22.372 -3.988 -12.453 1.00 0.00 C ATOM 404 O LEU A 25 -23.364 -4.706 -12.330 1.00 0.00 O ATOM 405 CB LEU A 25 -21.202 -2.662 -10.702 1.00 0.00 C ATOM 406 CG LEU A 25 -20.583 -1.274 -10.497 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.676 -0.266 -10.133 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.555 -1.343 -9.360 1.00 0.00 C ATOM 0 H LEU A 25 -23.581 -1.940 -10.273 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.005 -1.875 -12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.632 -3.014 -9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.425 -3.373 -10.983 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.095 -0.956 -11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.230 0.718 -9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.409 -0.218 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.168 -0.580 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.112 -0.359 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -20.049 -1.662 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.773 -2.057 -9.619 1.00 0.00 H new ATOM 420 N ARG A 26 -21.312 -4.312 -13.178 1.00 0.00 N ATOM 421 CA ARG A 26 -21.225 -5.572 -13.907 1.00 0.00 C ATOM 422 C ARG A 26 -19.824 -6.168 -13.785 1.00 0.00 C ATOM 423 O ARG A 26 -18.833 -5.485 -14.018 1.00 0.00 O ATOM 424 CB ARG A 26 -21.534 -5.308 -15.386 1.00 0.00 C ATOM 425 CG ARG A 26 -21.911 -6.618 -16.092 1.00 0.00 C ATOM 426 CD ARG A 26 -23.362 -7.031 -15.764 1.00 0.00 C ATOM 427 NE ARG A 26 -23.389 -7.909 -14.599 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.494 -8.061 -13.875 1.00 0.00 C ATOM 429 NH1 ARG A 26 -25.574 -7.396 -14.186 1.00 0.00 N ATOM 430 NH2 ARG A 26 -24.500 -8.874 -12.854 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.492 -3.714 -13.279 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.942 -6.278 -13.487 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.351 -4.592 -15.472 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.667 -4.861 -15.872 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -21.799 -6.499 -17.170 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -21.227 -7.409 -15.786 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -23.965 -6.144 -15.573 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.805 -7.539 -16.621 1.00 0.00 H new ATOM 0 HE ARG A 26 -22.544 -8.416 -14.335 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -25.570 -6.761 -14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -26.422 -7.512 -13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -23.657 -9.393 -12.611 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -25.348 -8.990 -12.299 1.00 0.00 H new ATOM 444 N TRP A 27 -19.736 -7.447 -13.436 1.00 0.00 N ATOM 445 CA TRP A 27 -18.426 -8.100 -13.319 1.00 0.00 C ATOM 446 C TRP A 27 -18.109 -8.910 -14.568 1.00 0.00 C ATOM 447 O TRP A 27 -18.718 -9.949 -14.823 1.00 0.00 O ATOM 448 CB TRP A 27 -18.386 -9.049 -12.115 1.00 0.00 C ATOM 449 CG TRP A 27 -18.202 -8.298 -10.843 1.00 0.00 C ATOM 450 CD1 TRP A 27 -19.017 -7.334 -10.379 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.150 -8.458 -9.861 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.555 -6.914 -9.144 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.398 -7.579 -8.785 1.00 0.00 C ATOM 454 CE3 TRP A 27 -16.022 -9.286 -9.804 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.552 -7.528 -7.677 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.161 -9.235 -8.699 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.428 -8.362 -7.635 1.00 0.00 C ATOM 0 H TRP A 27 -20.535 -8.047 -13.232 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.688 -7.308 -13.190 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.311 -9.623 -12.071 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.573 -9.764 -12.239 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.889 -6.950 -10.887 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -19.011 -6.204 -8.571 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.814 -9.967 -10.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.762 -6.853 -6.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.289 -9.871 -8.667 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.766 -8.333 -6.782 1.00 0.00 H new ATOM 468 N GLN A 28 -17.126 -8.444 -15.314 1.00 0.00 N ATOM 469 CA GLN A 28 -16.687 -9.138 -16.513 1.00 0.00 C ATOM 470 C GLN A 28 -15.686 -10.218 -16.124 1.00 0.00 C ATOM 471 O GLN A 28 -15.153 -10.207 -15.017 1.00 0.00 O ATOM 472 CB GLN A 28 -16.006 -8.145 -17.453 1.00 0.00 C ATOM 473 CG GLN A 28 -16.861 -6.889 -17.540 1.00 0.00 C ATOM 474 CD GLN A 28 -18.273 -7.246 -17.965 1.00 0.00 C ATOM 475 OE1 GLN A 28 -18.468 -7.945 -18.959 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.275 -6.802 -17.271 1.00 0.00 N ATOM 0 H GLN A 28 -16.614 -7.585 -15.112 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.546 -9.587 -17.012 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.010 -7.899 -17.085 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.881 -8.586 -18.442 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.880 -6.386 -16.573 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.424 -6.191 -18.254 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.109 -6.223 -16.448 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -20.229 -7.032 -17.548 1.00 0.00 H new ATOM 485 N SER A 29 -15.411 -11.128 -17.040 1.00 0.00 N ATOM 486 CA SER A 29 -14.439 -12.178 -16.772 1.00 0.00 C ATOM 487 C SER A 29 -13.103 -11.529 -16.442 1.00 0.00 C ATOM 488 O SER A 29 -12.324 -12.031 -15.627 1.00 0.00 O ATOM 489 CB SER A 29 -14.292 -13.091 -17.989 1.00 0.00 C ATOM 490 OG SER A 29 -13.348 -14.113 -17.697 1.00 0.00 O ATOM 0 H SER A 29 -15.839 -11.164 -17.965 1.00 0.00 H new ATOM 0 HA SER A 29 -14.777 -12.784 -15.931 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.255 -13.532 -18.246 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.965 -12.514 -18.854 1.00 0.00 H new ATOM 0 HG SER A 29 -13.252 -14.702 -18.475 1.00 0.00 H new ATOM 496 N MET A 30 -12.840 -10.405 -17.096 1.00 0.00 N ATOM 497 CA MET A 30 -11.595 -9.689 -16.882 1.00 0.00 C ATOM 498 C MET A 30 -11.485 -9.276 -15.422 1.00 0.00 C ATOM 499 O MET A 30 -10.429 -9.367 -14.818 1.00 0.00 O ATOM 500 CB MET A 30 -11.549 -8.429 -17.756 1.00 0.00 C ATOM 501 CG MET A 30 -11.493 -8.830 -19.226 1.00 0.00 C ATOM 502 SD MET A 30 -11.188 -7.365 -20.247 1.00 0.00 S ATOM 503 CE MET A 30 -12.808 -6.582 -20.040 1.00 0.00 C ATOM 0 H MET A 30 -13.469 -9.974 -17.774 1.00 0.00 H new ATOM 0 HA MET A 30 -10.767 -10.346 -17.148 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.428 -7.812 -17.570 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.677 -7.827 -17.499 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.704 -9.565 -19.383 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.431 -9.302 -19.520 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.964 -5.853 -20.835 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.588 -7.342 -20.087 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.848 -6.080 -19.074 1.00 0.00 H new ATOM 513 N ALA A 31 -12.587 -8.843 -14.845 1.00 0.00 N ATOM 514 CA ALA A 31 -12.570 -8.426 -13.451 1.00 0.00 C ATOM 515 C ALA A 31 -11.877 -9.486 -12.610 1.00 0.00 C ATOM 516 O ALA A 31 -11.039 -9.175 -11.767 1.00 0.00 O ATOM 517 CB ALA A 31 -14.002 -8.235 -12.953 1.00 0.00 C ATOM 0 H ALA A 31 -13.493 -8.770 -15.307 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.029 -7.484 -13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.985 -7.923 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.497 -7.471 -13.552 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.547 -9.175 -13.042 1.00 0.00 H new ATOM 523 N ILE A 32 -12.227 -10.733 -12.869 1.00 0.00 N ATOM 524 CA ILE A 32 -11.666 -11.866 -12.158 1.00 0.00 C ATOM 525 C ILE A 32 -10.169 -12.003 -12.426 1.00 0.00 C ATOM 526 O ILE A 32 -9.391 -12.270 -11.512 1.00 0.00 O ATOM 527 CB ILE A 32 -12.391 -13.126 -12.609 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.885 -12.934 -12.326 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.863 -14.332 -11.827 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.691 -14.137 -12.827 1.00 0.00 C ATOM 0 H ILE A 32 -12.911 -10.989 -13.581 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.797 -11.714 -11.087 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.226 -13.303 -13.672 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.044 -12.804 -11.255 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.238 -12.025 -12.813 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.384 -15.233 -12.152 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.794 -14.445 -12.010 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.034 -14.178 -10.762 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.749 -13.980 -12.616 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.548 -14.249 -13.902 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.350 -15.040 -12.320 1.00 0.00 H new ATOM 542 N MET A 33 -9.747 -11.818 -13.671 1.00 0.00 N ATOM 543 CA MET A 33 -8.329 -11.933 -13.957 1.00 0.00 C ATOM 544 C MET A 33 -7.598 -10.897 -13.133 1.00 0.00 C ATOM 545 O MET A 33 -6.447 -11.067 -12.740 1.00 0.00 O ATOM 546 CB MET A 33 -8.057 -11.772 -15.466 1.00 0.00 C ATOM 547 CG MET A 33 -7.913 -10.296 -15.917 1.00 0.00 C ATOM 548 SD MET A 33 -6.175 -9.922 -16.284 1.00 0.00 S ATOM 549 CE MET A 33 -6.092 -10.765 -17.884 1.00 0.00 C ATOM 0 H MET A 33 -10.342 -11.596 -14.469 1.00 0.00 H new ATOM 0 HA MET A 33 -7.967 -12.925 -13.687 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.145 -12.312 -15.722 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.870 -12.236 -16.025 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.526 -10.116 -16.800 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.279 -9.631 -15.134 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.299 -11.512 -17.861 1.00 0.00 H new ATOM 0 HE2 MET A 33 -7.045 -11.254 -18.088 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.883 -10.037 -18.668 1.00 0.00 H new ATOM 559 N ALA A 34 -8.318 -9.826 -12.865 1.00 0.00 N ATOM 560 CA ALA A 34 -7.801 -8.734 -12.069 1.00 0.00 C ATOM 561 C ALA A 34 -7.460 -9.250 -10.682 1.00 0.00 C ATOM 562 O ALA A 34 -6.437 -8.880 -10.109 1.00 0.00 O ATOM 563 CB ALA A 34 -8.835 -7.596 -11.996 1.00 0.00 C ATOM 0 H ALA A 34 -9.274 -9.690 -13.192 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.897 -8.335 -12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.436 -6.779 -11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.050 -7.235 -13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.753 -7.967 -11.540 1.00 0.00 H new ATOM 569 N LEU A 35 -8.308 -10.128 -10.150 1.00 0.00 N ATOM 570 CA LEU A 35 -8.036 -10.689 -8.837 1.00 0.00 C ATOM 571 C LEU A 35 -6.739 -11.484 -8.883 1.00 0.00 C ATOM 572 O LEU A 35 -5.940 -11.448 -7.948 1.00 0.00 O ATOM 573 CB LEU A 35 -9.184 -11.609 -8.402 1.00 0.00 C ATOM 574 CG LEU A 35 -10.351 -10.776 -7.859 1.00 0.00 C ATOM 575 CD1 LEU A 35 -10.717 -9.691 -8.860 1.00 0.00 C ATOM 576 CD2 LEU A 35 -11.566 -11.679 -7.624 1.00 0.00 C ATOM 0 H LEU A 35 -9.165 -10.457 -10.596 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.944 -9.875 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.519 -12.210 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.835 -12.302 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.052 -10.316 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.547 -9.101 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.857 -9.042 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.010 -10.151 -9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.393 -11.083 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.861 -12.144 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.309 -12.454 -6.902 1.00 0.00 H new ATOM 588 N GLN A 36 -6.542 -12.205 -9.980 1.00 0.00 N ATOM 589 CA GLN A 36 -5.347 -13.011 -10.140 1.00 0.00 C ATOM 590 C GLN A 36 -4.124 -12.115 -10.251 1.00 0.00 C ATOM 591 O GLN A 36 -3.076 -12.389 -9.665 1.00 0.00 O ATOM 592 CB GLN A 36 -5.489 -13.853 -11.401 1.00 0.00 C ATOM 593 CG GLN A 36 -6.668 -14.800 -11.228 1.00 0.00 C ATOM 594 CD GLN A 36 -6.347 -15.847 -10.170 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.387 -16.604 -10.312 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.096 -15.929 -9.110 1.00 0.00 N ATOM 0 H GLN A 36 -7.192 -12.246 -10.765 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.223 -13.660 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.645 -13.211 -12.268 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.575 -14.418 -11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.556 -14.238 -10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.895 -15.287 -12.176 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.890 -15.299 -8.997 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.889 -16.623 -8.392 1.00 0.00 H new ATOM 605 N GLU A 37 -4.282 -11.027 -10.995 1.00 0.00 N ATOM 606 CA GLU A 37 -3.206 -10.071 -11.171 1.00 0.00 C ATOM 607 C GLU A 37 -2.865 -9.421 -9.841 1.00 0.00 C ATOM 608 O GLU A 37 -1.704 -9.152 -9.545 1.00 0.00 O ATOM 609 CB GLU A 37 -3.630 -8.984 -12.153 1.00 0.00 C ATOM 610 CG GLU A 37 -3.742 -9.574 -13.561 1.00 0.00 C ATOM 611 CD GLU A 37 -2.354 -9.907 -14.097 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.389 -9.425 -13.527 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.275 -10.639 -15.070 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.145 -10.789 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.334 -10.599 -11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.587 -8.560 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.904 -8.171 -12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.358 -10.473 -13.540 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.236 -8.864 -14.224 1.00 0.00 H new ATOM 620 N ALA A 38 -3.899 -9.139 -9.061 1.00 0.00 N ATOM 621 CA ALA A 38 -3.713 -8.479 -7.770 1.00 0.00 C ATOM 622 C ALA A 38 -2.937 -9.329 -6.775 1.00 0.00 C ATOM 623 O ALA A 38 -2.030 -8.832 -6.107 1.00 0.00 O ATOM 624 CB ALA A 38 -5.074 -8.129 -7.176 1.00 0.00 C ATOM 0 H ALA A 38 -4.869 -9.353 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.126 -7.579 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.935 -7.637 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.605 -7.459 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.656 -9.040 -7.037 1.00 0.00 H new ATOM 630 N SER A 39 -3.303 -10.596 -6.648 1.00 0.00 N ATOM 631 CA SER A 39 -2.627 -11.458 -5.692 1.00 0.00 C ATOM 632 C SER A 39 -1.175 -11.705 -6.085 1.00 0.00 C ATOM 633 O SER A 39 -0.276 -11.644 -5.245 1.00 0.00 O ATOM 634 CB SER A 39 -3.362 -12.793 -5.575 1.00 0.00 C ATOM 635 OG SER A 39 -4.653 -12.570 -5.024 1.00 0.00 O ATOM 0 H SER A 39 -4.048 -11.042 -7.183 1.00 0.00 H new ATOM 0 HA SER A 39 -2.635 -10.949 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.448 -13.261 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.797 -13.478 -4.943 1.00 0.00 H new ATOM 0 HG SER A 39 -5.129 -13.424 -4.949 1.00 0.00 H new ATOM 641 N GLU A 40 -0.952 -11.988 -7.360 1.00 0.00 N ATOM 642 CA GLU A 40 0.401 -12.251 -7.837 1.00 0.00 C ATOM 643 C GLU A 40 1.227 -10.968 -7.862 1.00 0.00 C ATOM 644 O GLU A 40 2.429 -10.987 -7.610 1.00 0.00 O ATOM 645 CB GLU A 40 0.346 -12.873 -9.239 1.00 0.00 C ATOM 646 CG GLU A 40 -0.086 -11.828 -10.266 1.00 0.00 C ATOM 647 CD GLU A 40 -0.352 -12.501 -11.609 1.00 0.00 C ATOM 648 OE1 GLU A 40 -0.303 -13.719 -11.659 1.00 0.00 O ATOM 649 OE2 GLU A 40 -0.597 -11.789 -12.568 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.677 -12.041 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 40 0.881 -12.950 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.325 -13.272 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.352 -13.710 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.984 -11.316 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.690 -11.071 -10.376 1.00 0.00 H new ATOM 656 N ALA A 41 0.569 -9.854 -8.163 1.00 0.00 N ATOM 657 CA ALA A 41 1.247 -8.565 -8.219 1.00 0.00 C ATOM 658 C ALA A 41 1.693 -8.136 -6.838 1.00 0.00 C ATOM 659 O ALA A 41 2.792 -7.610 -6.661 1.00 0.00 O ATOM 660 CB ALA A 41 0.320 -7.502 -8.813 1.00 0.00 C ATOM 0 H ALA A 41 -0.429 -9.818 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 41 2.125 -8.671 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.840 -6.545 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.030 -7.795 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.571 -7.408 -8.192 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.945 -8.064 5.202 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.467 -6.736 5.470 1.00 0.00 C ATOM 1216 C ALA A 75 -5.872 -5.696 4.533 1.00 0.00 C ATOM 1217 O ALA A 75 -6.487 -4.660 4.277 1.00 0.00 O ATOM 1218 CB ALA A 75 -6.202 -6.332 6.917 1.00 0.00 C ATOM 0 HA ALA A 75 -7.543 -6.775 5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.602 -5.334 7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.687 -7.042 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.128 -6.332 7.104 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.673 -5.956 4.017 1.00 0.00 N ATOM 1225 CA VAL A 76 -4.047 -5.006 3.113 1.00 0.00 C ATOM 1226 C VAL A 76 -4.635 -5.210 1.732 1.00 0.00 C ATOM 1227 O VAL A 76 -4.831 -4.257 0.979 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.506 -5.162 3.129 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -2.016 -6.144 2.054 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.852 -3.793 2.901 1.00 0.00 C ATOM 0 H VAL A 76 -4.129 -6.798 4.206 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.249 -3.984 3.434 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.223 -5.563 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.930 -6.223 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.459 -7.125 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.311 -5.782 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.767 -3.902 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.167 -3.395 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.156 -3.108 3.693 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.977 -6.461 1.428 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.612 -6.745 0.153 1.00 0.00 C ATOM 1242 C LEU A 77 -6.995 -6.141 0.170 1.00 0.00 C ATOM 1243 O LEU A 77 -7.474 -5.615 -0.824 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.709 -8.237 -0.132 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.329 -8.812 -0.495 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.469 -10.321 -0.674 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.809 -8.190 -1.811 1.00 0.00 C ATOM 0 H LEU A 77 -4.829 -7.270 2.031 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.000 -6.312 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.106 -8.754 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.408 -8.411 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.621 -8.581 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.500 -10.748 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.826 -10.766 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.181 -10.528 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.832 -8.610 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.507 -8.411 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.721 -7.110 -1.693 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.612 -6.208 1.335 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.919 -5.654 1.531 1.00 0.00 C ATOM 1261 C LYS A 78 -8.884 -4.173 1.210 1.00 0.00 C ATOM 1262 O LYS A 78 -9.752 -3.654 0.514 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.314 -5.893 2.982 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.559 -5.114 3.321 1.00 0.00 C ATOM 1265 CD LYS A 78 -11.109 -5.588 4.662 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.278 -4.699 5.052 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.844 -5.153 6.354 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.214 -6.649 2.164 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.652 -6.124 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.486 -6.956 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.499 -5.594 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.333 -4.049 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.308 -5.249 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.431 -6.627 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.332 -5.546 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.949 -3.663 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.046 -4.733 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.643 -4.542 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.174 -6.135 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.110 -5.099 7.089 1.00 0.00 H new ATOM 1281 N SER A 79 -7.851 -3.508 1.694 1.00 0.00 N ATOM 1282 CA SER A 79 -7.686 -2.095 1.422 1.00 0.00 C ATOM 1283 C SER A 79 -7.555 -1.877 -0.077 1.00 0.00 C ATOM 1284 O SER A 79 -8.185 -0.986 -0.647 1.00 0.00 O ATOM 1285 CB SER A 79 -6.450 -1.576 2.146 1.00 0.00 C ATOM 1286 OG SER A 79 -6.177 -0.245 1.731 1.00 0.00 O ATOM 0 H SER A 79 -7.120 -3.921 2.273 1.00 0.00 H new ATOM 0 HA SER A 79 -8.558 -1.548 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.608 -1.606 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.595 -2.217 1.932 1.00 0.00 H new ATOM 0 HG SER A 79 -5.383 0.087 2.199 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.748 -2.717 -0.712 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.555 -2.633 -2.145 1.00 0.00 C ATOM 1294 C PHE A 80 -7.881 -2.855 -2.867 1.00 0.00 C ATOM 1295 O PHE A 80 -8.283 -2.051 -3.695 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.530 -3.698 -2.577 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.625 -3.928 -4.065 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.176 -2.950 -4.944 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.205 -5.108 -4.555 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.306 -3.136 -6.320 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.329 -5.301 -5.933 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.882 -4.311 -6.820 1.00 0.00 C ATOM 0 H PHE A 80 -6.220 -3.460 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.183 -1.642 -2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.523 -3.374 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.715 -4.630 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.726 -2.046 -4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.555 -5.865 -3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.962 -2.372 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.768 -6.211 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.982 -4.454 -7.886 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.552 -3.950 -2.548 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.818 -4.258 -3.194 1.00 0.00 C ATOM 1314 C LEU A 81 -10.835 -3.148 -2.949 1.00 0.00 C ATOM 1315 O LEU A 81 -11.495 -2.696 -3.870 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.390 -5.556 -2.623 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.535 -6.766 -3.043 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.029 -8.038 -2.302 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.596 -6.967 -4.580 1.00 0.00 C ATOM 0 H LEU A 81 -8.246 -4.633 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.632 -4.357 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.429 -5.493 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.414 -5.691 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.496 -6.580 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.422 -8.892 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.941 -7.889 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.072 -8.226 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.986 -7.826 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.628 -7.141 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.216 -6.075 -5.079 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.955 -2.712 -1.703 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.908 -1.663 -1.360 1.00 0.00 C ATOM 1333 C GLU A 82 -11.625 -0.393 -2.142 1.00 0.00 C ATOM 1334 O GLU A 82 -12.523 0.193 -2.747 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.784 -1.367 0.132 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.351 -2.537 0.943 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.871 -2.430 1.037 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.422 -1.530 0.424 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.459 -3.243 1.730 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.409 -3.065 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.914 -2.003 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.739 -1.204 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.320 -0.450 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.075 -3.481 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.917 -2.539 1.943 1.00 0.00 H new ATOM 1346 N SER A 83 -10.372 0.013 -2.140 1.00 0.00 N ATOM 1347 CA SER A 83 -9.963 1.200 -2.859 1.00 0.00 C ATOM 1348 C SER A 83 -10.152 1.030 -4.355 1.00 0.00 C ATOM 1349 O SER A 83 -10.515 1.969 -5.059 1.00 0.00 O ATOM 1350 CB SER A 83 -8.501 1.486 -2.557 1.00 0.00 C ATOM 1351 OG SER A 83 -8.372 1.945 -1.218 1.00 0.00 O ATOM 0 H SER A 83 -9.618 -0.464 -1.646 1.00 0.00 H new ATOM 0 HA SER A 83 -10.585 2.034 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.906 0.584 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.116 2.236 -3.248 1.00 0.00 H new ATOM 0 HG SER A 83 -8.259 1.178 -0.619 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.879 -0.166 -4.829 1.00 0.00 N ATOM 1358 CA VAL A 84 -9.993 -0.457 -6.243 1.00 0.00 C ATOM 1359 C VAL A 84 -11.415 -0.233 -6.719 1.00 0.00 C ATOM 1360 O VAL A 84 -11.636 0.328 -7.781 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.568 -1.905 -6.516 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -9.938 -2.297 -7.955 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.040 -2.051 -6.313 1.00 0.00 C ATOM 0 H VAL A 84 -9.576 -0.954 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.334 0.217 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.088 -2.564 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.633 -3.327 -8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.016 -2.208 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.428 -1.635 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.744 -3.082 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.517 -1.387 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.782 -1.788 -5.287 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.366 -0.685 -5.927 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.763 -0.535 -6.261 1.00 0.00 C ATOM 1375 C ILE A 85 -14.102 0.934 -6.315 1.00 0.00 C ATOM 1376 O ILE A 85 -14.779 1.400 -7.231 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.598 -1.216 -5.191 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.288 -2.713 -5.247 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.097 -0.974 -5.444 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.910 -3.448 -4.057 1.00 0.00 C ATOM 0 H ILE A 85 -12.192 -1.162 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 85 -13.971 -0.989 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.358 -0.811 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.670 -3.132 -6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.209 -2.864 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.681 -1.469 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.301 0.097 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.371 -1.378 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.674 -4.510 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.508 -3.043 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -15.992 -3.315 -4.072 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.617 1.665 -5.320 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.868 3.078 -5.265 1.00 0.00 C ATOM 1394 C ARG A 86 -13.277 3.754 -6.488 1.00 0.00 C ATOM 1395 O ARG A 86 -13.895 4.631 -7.082 1.00 0.00 O ATOM 1396 CB ARG A 86 -13.235 3.644 -3.994 1.00 0.00 C ATOM 1397 CG ARG A 86 -14.011 3.137 -2.781 1.00 0.00 C ATOM 1398 CD ARG A 86 -13.458 3.784 -1.510 1.00 0.00 C ATOM 1399 NE ARG A 86 -13.698 5.223 -1.531 1.00 0.00 N ATOM 1400 CZ ARG A 86 -13.169 6.023 -0.610 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -12.421 5.522 0.335 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -13.397 7.307 -0.652 1.00 0.00 N1+ ATOM 0 H ARG A 86 -13.054 1.297 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.942 3.262 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.191 3.340 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.248 4.734 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.070 3.372 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.931 2.052 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.931 3.342 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.389 3.587 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.282 5.623 -2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.243 4.518 0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.014 6.134 1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.981 7.697 -1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.991 7.920 0.055 1.00 0.00 H new ATOM 1416 N ASP A 87 -12.084 3.327 -6.863 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.407 3.891 -8.017 1.00 0.00 C ATOM 1418 C ASP A 87 -11.985 3.383 -9.329 1.00 0.00 C ATOM 1419 O ASP A 87 -11.907 4.044 -10.361 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.928 3.519 -7.948 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.233 4.311 -6.846 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.830 5.256 -6.356 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -8.116 3.961 -6.507 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.564 2.591 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.544 4.972 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.823 2.451 -7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.450 3.721 -8.907 1.00 0.00 H new ATOM 1428 N SER A 88 -12.525 2.191 -9.272 1.00 0.00 N ATOM 1429 CA SER A 88 -13.075 1.537 -10.445 1.00 0.00 C ATOM 1430 C SER A 88 -14.402 2.131 -10.823 1.00 0.00 C ATOM 1431 O SER A 88 -14.646 2.472 -11.977 1.00 0.00 O ATOM 1432 CB SER A 88 -13.248 0.041 -10.188 1.00 0.00 C ATOM 1433 OG SER A 88 -13.773 -0.578 -11.354 1.00 0.00 O ATOM 0 H SER A 88 -12.598 1.643 -8.415 1.00 0.00 H new ATOM 0 HA SER A 88 -12.375 1.688 -11.267 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.290 -0.407 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.919 -0.120 -9.344 1.00 0.00 H new ATOM 0 HG SER A 88 -13.546 -0.039 -12.141 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.261 2.251 -9.832 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.564 2.801 -10.061 1.00 0.00 C ATOM 1441 C VAL A 89 -16.405 4.272 -10.379 1.00 0.00 C ATOM 1442 O VAL A 89 -17.197 4.855 -11.107 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.450 2.555 -8.831 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -17.123 3.554 -7.723 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -18.918 2.680 -9.218 1.00 0.00 C ATOM 0 H VAL A 89 -15.074 1.974 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.056 2.319 -10.906 1.00 0.00 H new ATOM 0 HB VAL A 89 -17.256 1.548 -8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -17.762 3.363 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.078 3.446 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.296 4.568 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -19.542 2.504 -8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -19.108 3.681 -9.604 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -19.156 1.944 -9.986 1.00 0.00 H new ATOM 1455 N THR A 90 -15.333 4.849 -9.863 1.00 0.00 N ATOM 1456 CA THR A 90 -15.025 6.236 -10.130 1.00 0.00 C ATOM 1457 C THR A 90 -14.767 6.437 -11.620 1.00 0.00 C ATOM 1458 O THR A 90 -15.311 7.351 -12.240 1.00 0.00 O ATOM 1459 CB THR A 90 -13.803 6.652 -9.313 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.159 6.719 -7.941 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.279 8.013 -9.780 1.00 0.00 C ATOM 0 H THR A 90 -14.664 4.375 -9.257 1.00 0.00 H new ATOM 0 HA THR A 90 -15.872 6.858 -9.842 1.00 0.00 H new ATOM 0 HB THR A 90 -13.014 5.913 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.811 5.931 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.409 8.291 -9.186 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.997 7.953 -10.831 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.058 8.765 -9.656 1.00 0.00 H new ATOM 1469 N TYR A 91 -13.946 5.560 -12.188 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.634 5.628 -13.606 1.00 0.00 C ATOM 1471 C TYR A 91 -14.843 5.208 -14.422 1.00 0.00 C ATOM 1472 O TYR A 91 -15.091 5.755 -15.495 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.433 4.729 -13.943 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.124 5.442 -13.636 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.798 6.626 -14.315 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.235 4.923 -12.679 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.595 7.287 -14.036 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.034 5.589 -12.404 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.715 6.769 -13.081 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.531 7.423 -12.808 1.00 0.00 O ATOM 0 H TYR A 91 -13.488 4.798 -11.688 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.373 6.657 -13.854 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.492 3.804 -13.369 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.464 4.453 -14.997 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.476 7.028 -15.054 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.478 4.010 -12.155 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.347 8.198 -14.560 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.353 5.190 -11.667 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.037 6.931 -12.119 1.00 0.00 H new ATOM 1490 N THR A 92 -15.608 4.240 -13.923 1.00 0.00 N ATOM 1491 CA THR A 92 -16.783 3.827 -14.680 1.00 0.00 C ATOM 1492 C THR A 92 -17.784 4.960 -14.628 1.00 0.00 C ATOM 1493 O THR A 92 -18.338 5.369 -15.644 1.00 0.00 O ATOM 1494 CB THR A 92 -17.427 2.567 -14.098 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.891 2.853 -12.797 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.427 1.397 -14.058 1.00 0.00 C ATOM 0 H THR A 92 -15.448 3.749 -13.043 1.00 0.00 H new ATOM 0 HA THR A 92 -16.481 3.599 -15.702 1.00 0.00 H new ATOM 0 HB THR A 92 -18.259 2.268 -14.735 1.00 0.00 H new ATOM 0 HG1 THR A 92 -18.870 2.903 -12.802 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.914 0.516 -13.640 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.084 1.176 -15.069 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.573 1.669 -13.437 1.00 0.00 H new ATOM 1504 N GLU A 93 -17.960 5.504 -13.432 1.00 0.00 N ATOM 1505 CA GLU A 93 -18.855 6.631 -13.252 1.00 0.00 C ATOM 1506 C GLU A 93 -18.371 7.794 -14.097 1.00 0.00 C ATOM 1507 O GLU A 93 -19.170 8.536 -14.667 1.00 0.00 O ATOM 1508 CB GLU A 93 -18.921 7.033 -11.785 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.764 6.009 -11.021 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.243 6.217 -11.328 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.566 7.212 -11.956 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.034 5.378 -10.928 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.498 5.185 -12.581 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.858 6.346 -13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -17.917 7.083 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.357 8.027 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.465 4.999 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.589 6.109 -9.950 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.053 7.926 -14.201 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.487 8.983 -15.018 1.00 0.00 C ATOM 1521 C HIS A 94 -16.971 8.769 -16.433 1.00 0.00 C ATOM 1522 O HIS A 94 -17.297 9.706 -17.162 1.00 0.00 O ATOM 1523 CB HIS A 94 -14.959 8.946 -14.974 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.405 10.100 -15.762 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.492 11.410 -15.317 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -13.753 10.158 -16.969 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -13.908 12.193 -16.240 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.440 11.481 -17.269 1.00 0.00 N ATOM 0 H HIS A 94 -16.371 7.325 -13.738 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.801 9.957 -14.643 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.613 8.998 -13.942 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.596 8.004 -15.385 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.519 9.307 -17.591 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.827 13.267 -16.160 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.957 11.831 -18.096 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.038 7.498 -16.781 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.512 7.061 -18.087 1.00 0.00 C ATOM 1538 C ALA A 95 -18.941 6.557 -17.945 1.00 0.00 C ATOM 1539 O ALA A 95 -19.398 5.737 -18.727 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.620 5.939 -18.622 1.00 0.00 C ATOM 0 H ALA A 95 -16.764 6.733 -16.164 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.479 7.896 -18.787 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.983 5.620 -19.599 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.596 6.302 -18.716 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.644 5.095 -17.933 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.626 7.063 -16.916 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.011 6.694 -16.604 1.00 0.00 C ATOM 1548 C LYS A 96 -21.301 5.244 -16.948 1.00 0.00 C ATOM 1549 O LYS A 96 -22.362 4.912 -17.478 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.048 7.608 -17.270 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.726 7.848 -18.753 1.00 0.00 C ATOM 1552 CD LYS A 96 -22.197 6.662 -19.614 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.198 7.073 -21.087 1.00 0.00 C ATOM 1554 NZ LYS A 96 -23.177 8.179 -21.293 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.232 7.747 -16.270 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.106 6.827 -15.526 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.038 7.161 -17.180 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.081 8.563 -16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.211 8.764 -19.091 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.653 7.990 -18.878 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -21.539 5.806 -19.464 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -23.197 6.353 -19.311 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -21.201 7.395 -21.387 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -22.459 6.220 -21.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -23.573 8.117 -22.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -23.944 8.098 -20.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -22.697 9.094 -21.175 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.357 4.391 -16.618 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.482 2.957 -16.853 1.00 0.00 C ATOM 1570 C ARG A 97 -20.767 2.242 -15.542 1.00 0.00 C ATOM 1571 O ARG A 97 -20.503 2.760 -14.457 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.174 2.402 -17.458 1.00 0.00 C ATOM 1573 CG ARG A 97 -19.146 2.603 -18.987 1.00 0.00 C ATOM 1574 CD ARG A 97 -19.860 1.448 -19.702 1.00 0.00 C ATOM 1575 NE ARG A 97 -19.853 1.682 -21.139 1.00 0.00 N ATOM 1576 CZ ARG A 97 -20.413 0.817 -21.980 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -20.988 -0.260 -21.519 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -20.389 1.047 -23.264 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.478 4.665 -16.179 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.303 2.788 -17.549 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.318 2.903 -17.006 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.082 1.341 -17.225 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.626 3.547 -19.243 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.114 2.667 -19.331 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.364 0.505 -19.475 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -20.886 1.363 -19.342 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.411 2.524 -21.507 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -21.008 -0.438 -20.515 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.418 -0.924 -22.163 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -19.941 1.890 -23.623 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.818 0.384 -23.909 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.284 1.032 -15.665 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.580 0.189 -14.517 1.00 0.00 C ATOM 1594 C LYS A 98 -20.972 -1.178 -14.805 1.00 0.00 C ATOM 1595 O LYS A 98 -21.653 -2.109 -15.234 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.103 0.096 -14.245 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.955 0.373 -15.507 1.00 0.00 C ATOM 1598 CD LYS A 98 -24.124 -0.906 -16.345 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.105 -0.634 -17.487 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.288 -1.877 -18.288 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.511 0.605 -16.563 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.151 0.616 -13.610 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.339 -0.897 -13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.373 0.809 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -24.934 0.753 -15.214 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.480 1.147 -16.109 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -23.161 -1.223 -16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -24.492 -1.719 -15.719 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -26.063 -0.302 -17.087 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -24.729 0.169 -18.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -25.955 -1.694 -19.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -24.372 -2.175 -18.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -25.665 -2.630 -17.678 1.00 0.00 H new ATOM 1614 N THR A 99 -19.660 -1.261 -14.608 1.00 0.00 N ATOM 1615 CA THR A 99 -18.920 -2.479 -14.892 1.00 0.00 C ATOM 1616 C THR A 99 -17.541 -2.458 -14.244 1.00 0.00 C ATOM 1617 O THR A 99 -16.933 -1.400 -14.088 1.00 0.00 O ATOM 1618 CB THR A 99 -18.765 -2.616 -16.409 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.049 -2.735 -17.006 1.00 0.00 O ATOM 1620 CG2 THR A 99 -17.933 -3.852 -16.729 1.00 0.00 C ATOM 0 H THR A 99 -19.089 -0.495 -14.252 1.00 0.00 H new ATOM 0 HA THR A 99 -19.471 -3.325 -14.481 1.00 0.00 H new ATOM 0 HB THR A 99 -18.262 -1.733 -16.804 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.717 -2.913 -16.312 1.00 0.00 H new ATOM 0 HG21 THR A 99 -17.824 -3.948 -17.809 1.00 0.00 H new ATOM 0 HG22 THR A 99 -16.948 -3.756 -16.272 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.431 -4.738 -16.335 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.037 -3.642 -13.898 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.709 -3.765 -13.299 1.00 0.00 C ATOM 1630 C VAL A 100 -14.797 -4.448 -14.312 1.00 0.00 C ATOM 1631 O VAL A 100 -15.097 -5.554 -14.762 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.767 -4.627 -12.033 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.387 -4.659 -11.372 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.787 -4.036 -11.059 1.00 0.00 C ATOM 0 H VAL A 100 -17.527 -4.528 -14.022 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.337 -2.775 -13.034 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.065 -5.641 -12.298 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.429 -5.272 -10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.661 -5.082 -12.066 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.087 -3.645 -11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.828 -4.649 -10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.491 -3.021 -10.794 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.770 -4.016 -11.529 1.00 0.00 H new ATOM 1644 N THR A 101 -13.696 -3.798 -14.681 1.00 0.00 N ATOM 1645 CA THR A 101 -12.769 -4.377 -15.659 1.00 0.00 C ATOM 1646 C THR A 101 -11.359 -4.431 -15.101 1.00 0.00 C ATOM 1647 O THR A 101 -10.967 -3.599 -14.285 1.00 0.00 O ATOM 1648 CB THR A 101 -12.767 -3.530 -16.934 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.325 -2.216 -16.625 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.178 -3.468 -17.520 1.00 0.00 C ATOM 0 H THR A 101 -13.423 -2.882 -14.325 1.00 0.00 H new ATOM 0 HA THR A 101 -13.101 -5.391 -15.883 1.00 0.00 H new ATOM 0 HB THR A 101 -12.096 -3.981 -17.665 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.321 -1.672 -17.440 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.169 -2.864 -18.427 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.517 -4.476 -17.759 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.855 -3.020 -16.792 1.00 0.00 H new ATOM 1658 N SER A 102 -10.597 -5.413 -15.565 1.00 0.00 N ATOM 1659 CA SER A 102 -9.221 -5.559 -15.122 1.00 0.00 C ATOM 1660 C SER A 102 -8.429 -4.356 -15.566 1.00 0.00 C ATOM 1661 O SER A 102 -7.372 -4.039 -15.029 1.00 0.00 O ATOM 1662 CB SER A 102 -8.595 -6.807 -15.731 1.00 0.00 C ATOM 1663 OG SER A 102 -8.296 -6.559 -17.099 1.00 0.00 O ATOM 0 H SER A 102 -10.906 -6.112 -16.240 1.00 0.00 H new ATOM 0 HA SER A 102 -9.209 -5.645 -14.035 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.687 -7.074 -15.190 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.278 -7.652 -15.643 1.00 0.00 H new ATOM 0 HG SER A 102 -7.891 -7.359 -17.496 1.00 0.00 H new ATOM 1669 N LEU A 103 -8.960 -3.697 -16.569 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.331 -2.526 -17.119 1.00 0.00 C ATOM 1671 C LEU A 103 -8.413 -1.382 -16.120 1.00 0.00 C ATOM 1672 O LEU A 103 -7.431 -0.684 -15.874 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.052 -2.164 -18.424 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.352 -2.799 -19.633 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -8.467 -4.328 -19.580 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.022 -2.286 -20.903 1.00 0.00 C ATOM 0 H LEU A 103 -9.836 -3.958 -17.023 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.278 -2.717 -17.326 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.087 -2.504 -18.378 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.077 -1.081 -18.541 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.296 -2.531 -19.622 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.965 -4.761 -20.445 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.999 -4.697 -18.667 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.519 -4.614 -19.590 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.537 -2.727 -21.774 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.076 -2.563 -20.896 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.932 -1.201 -20.949 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.586 -1.205 -15.541 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.773 -0.157 -14.565 1.00 0.00 C ATOM 1690 C ASP A 104 -8.905 -0.468 -13.357 1.00 0.00 C ATOM 1691 O ASP A 104 -8.357 0.428 -12.720 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.256 -0.083 -14.170 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.630 1.320 -13.716 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.732 2.128 -13.543 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.813 1.564 -13.557 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.414 -1.769 -15.730 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.483 0.810 -14.977 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.877 -0.372 -15.018 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.459 -0.794 -13.369 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.762 -1.758 -13.079 1.00 0.00 N ATOM 1701 CA VAL A 105 -7.923 -2.201 -11.976 1.00 0.00 C ATOM 1702 C VAL A 105 -6.493 -1.797 -12.275 1.00 0.00 C ATOM 1703 O VAL A 105 -5.780 -1.286 -11.416 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.031 -3.720 -11.816 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -6.983 -4.206 -10.809 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.446 -4.094 -11.323 1.00 0.00 C ATOM 0 H VAL A 105 -9.213 -2.510 -13.599 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.248 -1.740 -11.043 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.852 -4.198 -12.779 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.061 -5.287 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.986 -3.950 -11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.155 -3.727 -9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.518 -5.176 -11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.635 -3.616 -10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.186 -3.755 -12.048 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.102 -2.007 -13.522 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.776 -1.639 -13.975 1.00 0.00 C ATOM 1718 C VAL A 106 -4.578 -0.131 -13.880 1.00 0.00 C ATOM 1719 O VAL A 106 -3.531 0.336 -13.439 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.577 -2.136 -15.413 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.371 -1.446 -16.044 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.326 -3.647 -15.385 1.00 0.00 C ATOM 0 H VAL A 106 -6.689 -2.433 -14.239 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.029 -2.108 -13.335 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.468 -1.909 -15.999 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.239 -1.806 -17.064 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.534 -0.368 -16.058 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.477 -1.670 -15.461 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.183 -4.011 -16.402 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.433 -3.857 -14.796 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.183 -4.150 -14.937 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.587 0.627 -14.287 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.493 2.072 -14.225 1.00 0.00 C ATOM 1734 C TYR A 107 -5.374 2.484 -12.771 1.00 0.00 C ATOM 1735 O TYR A 107 -4.595 3.373 -12.420 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.746 2.716 -14.827 1.00 0.00 C ATOM 1737 CG TYR A 107 -7.039 2.209 -16.238 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.052 1.598 -17.045 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -8.340 2.360 -16.742 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.379 1.151 -18.331 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -8.657 1.910 -18.028 1.00 0.00 C ATOM 1742 CZ TYR A 107 -7.678 1.308 -18.822 1.00 0.00 C ATOM 1743 OH TYR A 107 -7.994 0.865 -20.091 1.00 0.00 O ATOM 0 H TYR A 107 -6.467 0.268 -14.658 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.622 2.402 -14.792 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.602 2.510 -14.184 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.619 3.798 -14.851 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.047 1.476 -16.670 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.101 2.826 -16.134 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.624 0.683 -18.946 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.661 2.028 -18.408 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.938 1.050 -20.276 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.145 1.815 -11.928 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.120 2.096 -10.512 1.00 0.00 C ATOM 1755 C ALA A 108 -4.743 1.787 -9.954 1.00 0.00 C ATOM 1756 O ALA A 108 -4.209 2.546 -9.153 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.173 1.263 -9.783 1.00 0.00 C ATOM 0 H ALA A 108 -6.792 1.077 -12.204 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.345 3.152 -10.360 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.140 1.487 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.162 1.503 -10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.969 0.203 -9.937 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.171 0.668 -10.394 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.851 0.264 -9.938 1.00 0.00 C ATOM 1765 C LEU A 109 -1.782 1.230 -10.451 1.00 0.00 C ATOM 1766 O LEU A 109 -0.790 1.494 -9.771 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.559 -1.190 -10.402 1.00 0.00 C ATOM 1768 CG LEU A 109 -2.859 -2.202 -9.284 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -2.958 -3.617 -9.872 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -1.738 -2.184 -8.225 1.00 0.00 C ATOM 0 H LEU A 109 -4.602 0.030 -11.063 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.827 0.294 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.163 -1.423 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.515 -1.276 -10.703 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.804 -1.925 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.171 -4.329 -9.074 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.760 -3.649 -10.610 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.014 -3.879 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.966 -2.906 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.790 -2.446 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.664 -1.187 -7.790 1.00 0.00 H new