USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 659 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 16 SER OG : rot 180:sc= 0.024 USER MOD Set 1.2: A 17 THR OG1 : rot 115:sc= 0.72 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -56:sc= 0.5 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -119:sc= 0.279 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 1.42 (180deg=1.11) USER MOD Single : A 33 TYR OH : rot -106:sc= 2.05 USER MOD Single : A 36 THR OG1 : rot -60:sc= 1.28 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0.195 (180deg=0.144) USER MOD Single : A 49 SER OG : rot 90:sc= -1.2 USER MOD Single : A 50 MET CE :methyl -113:sc= -0.0291 (180deg=-1.28) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.16) USER MOD Single : A 58 MET CE :methyl -111:sc= -0.0249 (180deg=-1.3) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 64 THR OG1 : rot 91:sc= 1.32 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.116 F(o=-0.43,f=0.12) USER MOD Single : A 77 SER OG : rot 90:sc= 0.297 USER MOD Single : A 78 THR OG1 : rot 74:sc= 0.843 USER MOD Single : A 83 ASN :FLIP amide:sc=-0.00571 F(o=-0.86,f=-0.0057) USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= 0.726 (180deg=0.379) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -4.373 -8.069 4.725 1.00 0.00 N ATOM 155 CA GLY A 11 -3.463 -7.038 4.364 1.00 0.00 C ATOM 156 C GLY A 11 -2.518 -7.518 3.310 1.00 0.00 C ATOM 157 O GLY A 11 -2.571 -7.050 2.207 1.00 0.00 O ATOM 0 HA2 GLY A 11 -4.013 -6.171 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.904 -6.715 5.242 1.00 0.00 H new ATOM 161 N LEU A 12 -1.713 -8.519 3.651 1.00 0.00 N ATOM 162 CA LEU A 12 -0.678 -9.092 2.757 1.00 0.00 C ATOM 163 C LEU A 12 -1.246 -9.487 1.388 1.00 0.00 C ATOM 164 O LEU A 12 -0.748 -9.061 0.343 1.00 0.00 O ATOM 165 CB LEU A 12 -0.060 -10.334 3.411 1.00 0.00 C ATOM 166 CG LEU A 12 1.076 -11.033 2.635 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.276 -10.109 2.442 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.492 -12.316 3.337 1.00 0.00 C ATOM 0 H LEU A 12 -1.751 -8.970 4.565 1.00 0.00 H new ATOM 0 HA LEU A 12 0.076 -8.320 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.323 -10.048 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.855 -11.061 3.579 1.00 0.00 H new ATOM 0 HG LEU A 12 0.694 -11.286 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.056 -10.635 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.969 -9.226 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.661 -9.805 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.294 -12.795 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.842 -12.083 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.638 -12.991 3.397 1.00 0.00 H new ATOM 180 N CYS A 13 -2.310 -10.254 1.416 1.00 0.00 N ATOM 181 CA CYS A 13 -2.930 -10.777 0.214 1.00 0.00 C ATOM 182 C CYS A 13 -3.721 -9.708 -0.550 1.00 0.00 C ATOM 183 O CYS A 13 -4.164 -9.932 -1.664 1.00 0.00 O ATOM 184 CB CYS A 13 -3.828 -11.917 0.605 1.00 0.00 C ATOM 185 SG CYS A 13 -2.965 -13.296 1.393 1.00 0.00 S ATOM 0 H CYS A 13 -2.776 -10.537 2.278 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.146 -11.119 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.595 -11.545 1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.341 -12.283 -0.284 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.820 -14.227 1.695 1.00 0.00 H new ATOM 191 N ARG A 14 -3.905 -8.575 0.065 1.00 0.00 N ATOM 192 CA ARG A 14 -4.590 -7.451 -0.547 1.00 0.00 C ATOM 193 C ARG A 14 -3.527 -6.541 -1.148 1.00 0.00 C ATOM 194 O ARG A 14 -3.623 -6.085 -2.282 1.00 0.00 O ATOM 195 CB ARG A 14 -5.367 -6.721 0.554 1.00 0.00 C ATOM 196 CG ARG A 14 -6.197 -5.524 0.131 1.00 0.00 C ATOM 197 CD ARG A 14 -6.923 -4.944 1.339 1.00 0.00 C ATOM 198 NE ARG A 14 -7.774 -5.946 1.985 1.00 0.00 N ATOM 199 CZ ARG A 14 -7.731 -6.321 3.279 1.00 0.00 C ATOM 200 NH1 ARG A 14 -6.931 -5.707 4.157 1.00 0.00 N ATOM 201 NH2 ARG A 14 -8.507 -7.297 3.689 1.00 0.00 N ATOM 0 H ARG A 14 -3.584 -8.394 1.016 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.284 -7.764 -1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.030 -7.440 1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.654 -6.390 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.555 -4.766 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.919 -5.821 -0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.194 -4.567 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.531 -4.095 1.026 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.469 -6.406 1.397 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.336 -4.937 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.916 -6.009 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.133 -7.762 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.484 -7.591 4.666 1.00 0.00 H new ATOM 215 N LEU A 15 -2.497 -6.363 -0.366 1.00 0.00 N ATOM 216 CA LEU A 15 -1.346 -5.543 -0.630 1.00 0.00 C ATOM 217 C LEU A 15 -0.685 -5.916 -1.942 1.00 0.00 C ATOM 218 O LEU A 15 -0.512 -5.067 -2.817 1.00 0.00 O ATOM 219 CB LEU A 15 -0.376 -5.756 0.535 1.00 0.00 C ATOM 220 CG LEU A 15 0.935 -5.010 0.529 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.695 -3.537 0.503 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.724 -5.378 1.758 1.00 0.00 C ATOM 0 H LEU A 15 -2.436 -6.823 0.542 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.641 -4.497 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.901 -5.496 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.150 -6.821 0.587 1.00 0.00 H new ATOM 0 HG LEU A 15 1.497 -5.286 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.651 -3.013 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.134 -3.276 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.125 -3.246 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.672 -4.840 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.156 -5.109 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.916 -6.451 1.760 1.00 0.00 H new ATOM 234 N SER A 16 -0.376 -7.188 -2.097 1.00 0.00 N ATOM 235 CA SER A 16 0.317 -7.668 -3.272 1.00 0.00 C ATOM 236 C SER A 16 -0.522 -7.457 -4.541 1.00 0.00 C ATOM 237 O SER A 16 -0.012 -7.036 -5.584 1.00 0.00 O ATOM 238 CB SER A 16 0.664 -9.136 -3.054 1.00 0.00 C ATOM 239 OG SER A 16 -0.479 -9.853 -2.588 1.00 0.00 O ATOM 0 H SER A 16 -0.598 -7.913 -1.415 1.00 0.00 H new ATOM 0 HA SER A 16 1.235 -7.100 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.021 -9.574 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.475 -9.221 -2.330 1.00 0.00 H new ATOM 0 HG SER A 16 -0.242 -10.794 -2.454 1.00 0.00 H new ATOM 245 N THR A 17 -1.815 -7.658 -4.395 1.00 0.00 N ATOM 246 CA THR A 17 -2.756 -7.558 -5.476 1.00 0.00 C ATOM 247 C THR A 17 -2.967 -6.084 -5.922 1.00 0.00 C ATOM 248 O THR A 17 -3.298 -5.814 -7.074 1.00 0.00 O ATOM 249 CB THR A 17 -4.062 -8.219 -5.036 1.00 0.00 C ATOM 250 OG1 THR A 17 -3.724 -9.509 -4.500 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.018 -8.409 -6.201 1.00 0.00 C ATOM 0 H THR A 17 -2.243 -7.900 -3.502 1.00 0.00 H new ATOM 0 HA THR A 17 -2.366 -8.077 -6.352 1.00 0.00 H new ATOM 0 HB THR A 17 -4.557 -7.584 -4.302 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.931 -9.530 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.934 -8.882 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.256 -7.439 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.551 -9.043 -6.955 1.00 0.00 H new ATOM 259 N TYR A 18 -2.761 -5.144 -5.024 1.00 0.00 N ATOM 260 CA TYR A 18 -2.841 -3.743 -5.405 1.00 0.00 C ATOM 261 C TYR A 18 -1.509 -3.247 -5.937 1.00 0.00 C ATOM 262 O TYR A 18 -1.461 -2.488 -6.902 1.00 0.00 O ATOM 263 CB TYR A 18 -3.348 -2.851 -4.268 1.00 0.00 C ATOM 264 CG TYR A 18 -4.846 -2.905 -4.057 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.686 -2.041 -4.746 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.420 -3.801 -3.172 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.053 -2.074 -4.561 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.785 -3.840 -2.980 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.595 -2.976 -3.673 1.00 0.00 C ATOM 270 OH TYR A 18 -8.957 -3.014 -3.478 1.00 0.00 O ATOM 0 H TYR A 18 -2.541 -5.315 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.578 -3.677 -6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.851 -3.144 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.058 -1.820 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.262 -1.330 -5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.787 -4.482 -2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.693 -1.398 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.215 -4.548 -2.287 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.274 -2.126 -3.212 1.00 0.00 H new ATOM 280 N LEU A 19 -0.425 -3.714 -5.336 1.00 0.00 N ATOM 281 CA LEU A 19 0.915 -3.311 -5.752 1.00 0.00 C ATOM 282 C LEU A 19 1.252 -3.799 -7.155 1.00 0.00 C ATOM 283 O LEU A 19 1.997 -3.143 -7.875 1.00 0.00 O ATOM 284 CB LEU A 19 1.980 -3.770 -4.745 1.00 0.00 C ATOM 285 CG LEU A 19 1.972 -3.070 -3.377 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.002 -3.701 -2.462 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.263 -1.584 -3.541 1.00 0.00 C ATOM 0 H LEU A 19 -0.444 -4.373 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 19 0.919 -2.221 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.857 -4.841 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.962 -3.627 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 19 0.984 -3.187 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.988 -3.197 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.768 -4.757 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.992 -3.604 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.254 -1.101 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.243 -1.454 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.501 -1.132 -4.176 1.00 0.00 H new ATOM 299 N GLU A 20 0.681 -4.929 -7.556 1.00 0.00 N ATOM 300 CA GLU A 20 0.928 -5.468 -8.894 1.00 0.00 C ATOM 301 C GLU A 20 0.316 -4.598 -9.987 1.00 0.00 C ATOM 302 O GLU A 20 0.707 -4.683 -11.151 1.00 0.00 O ATOM 303 CB GLU A 20 0.462 -6.918 -9.032 1.00 0.00 C ATOM 304 CG GLU A 20 -1.003 -7.131 -8.761 1.00 0.00 C ATOM 305 CD GLU A 20 -1.438 -8.546 -9.030 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.119 -9.444 -8.236 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.105 -8.787 -10.068 1.00 0.00 O ATOM 0 H GLU A 20 0.049 -5.487 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 20 2.010 -5.456 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.686 -7.264 -10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.039 -7.539 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.218 -6.879 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.587 -6.451 -9.381 1.00 0.00 H new ATOM 314 N GLU A 21 -0.617 -3.747 -9.609 1.00 0.00 N ATOM 315 CA GLU A 21 -1.260 -2.872 -10.558 1.00 0.00 C ATOM 316 C GLU A 21 -0.482 -1.574 -10.728 1.00 0.00 C ATOM 317 O GLU A 21 -0.850 -0.720 -11.538 1.00 0.00 O ATOM 318 CB GLU A 21 -2.705 -2.594 -10.165 1.00 0.00 C ATOM 319 CG GLU A 21 -3.617 -3.803 -10.267 1.00 0.00 C ATOM 320 CD GLU A 21 -3.711 -4.340 -11.679 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.173 -3.605 -12.574 1.00 0.00 O ATOM 322 OE2 GLU A 21 -3.360 -5.511 -11.919 1.00 0.00 O ATOM 0 H GLU A 21 -0.945 -3.646 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.270 -3.384 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.727 -2.221 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.098 -1.801 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.249 -4.588 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.613 -3.533 -9.917 1.00 0.00 H new ATOM 329 N LEU A 22 0.592 -1.426 -9.983 1.00 0.00 N ATOM 330 CA LEU A 22 1.422 -0.263 -10.134 1.00 0.00 C ATOM 331 C LEU A 22 2.442 -0.493 -11.185 1.00 0.00 C ATOM 332 O LEU A 22 2.835 -1.634 -11.471 1.00 0.00 O ATOM 333 CB LEU A 22 2.151 0.139 -8.860 1.00 0.00 C ATOM 334 CG LEU A 22 1.321 0.609 -7.673 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.239 0.965 -6.520 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.467 1.802 -8.046 1.00 0.00 C ATOM 0 H LEU A 22 0.904 -2.091 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 22 0.742 0.545 -10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.745 -0.714 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.850 0.936 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 22 0.656 -0.201 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.643 1.301 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.818 0.088 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.916 1.762 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.116 2.117 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.108 2.622 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.208 1.527 -8.857 1.00 0.00 H new ATOM 348 N GLU A 23 2.848 0.572 -11.776 1.00 0.00 N ATOM 349 CA GLU A 23 3.886 0.562 -12.739 1.00 0.00 C ATOM 350 C GLU A 23 5.213 0.401 -12.021 1.00 0.00 C ATOM 351 O GLU A 23 5.292 0.645 -10.821 1.00 0.00 O ATOM 352 CB GLU A 23 3.858 1.886 -13.451 1.00 0.00 C ATOM 353 CG GLU A 23 3.766 1.785 -14.923 1.00 0.00 C ATOM 354 CD GLU A 23 4.950 1.079 -15.519 1.00 0.00 C ATOM 355 OE1 GLU A 23 6.099 1.463 -15.224 1.00 0.00 O ATOM 356 OE2 GLU A 23 4.756 0.088 -16.244 1.00 0.00 O ATOM 0 H GLU A 23 2.457 1.497 -11.598 1.00 0.00 H new ATOM 0 HA GLU A 23 3.758 -0.255 -13.449 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.010 2.464 -13.085 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.759 2.443 -13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.854 1.252 -15.192 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.689 2.785 -15.350 1.00 0.00 H new ATOM 363 N ALA A 24 6.252 0.036 -12.744 1.00 0.00 N ATOM 364 CA ALA A 24 7.572 -0.091 -12.157 1.00 0.00 C ATOM 365 C ALA A 24 8.033 1.272 -11.684 1.00 0.00 C ATOM 366 O ALA A 24 8.646 1.403 -10.627 1.00 0.00 O ATOM 367 CB ALA A 24 8.554 -0.679 -13.150 1.00 0.00 C ATOM 0 H ALA A 24 6.209 -0.178 -13.740 1.00 0.00 H new ATOM 0 HA ALA A 24 7.524 -0.772 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.536 -0.763 -12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.212 -1.667 -13.458 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.621 -0.030 -14.023 1.00 0.00 H new ATOM 373 N VAL A 25 7.668 2.299 -12.445 1.00 0.00 N ATOM 374 CA VAL A 25 7.971 3.663 -12.064 1.00 0.00 C ATOM 375 C VAL A 25 7.183 4.053 -10.790 1.00 0.00 C ATOM 376 O VAL A 25 7.683 4.771 -9.938 1.00 0.00 O ATOM 377 CB VAL A 25 7.719 4.683 -13.233 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.281 4.655 -13.728 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.121 6.094 -12.831 1.00 0.00 C ATOM 0 H VAL A 25 7.163 2.207 -13.327 1.00 0.00 H new ATOM 0 HA VAL A 25 9.037 3.713 -11.841 1.00 0.00 H new ATOM 0 HB VAL A 25 8.352 4.367 -14.062 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.160 5.378 -14.535 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.042 3.657 -14.095 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.609 4.910 -12.909 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.935 6.776 -13.661 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.536 6.407 -11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.181 6.112 -12.578 1.00 0.00 H new ATOM 389 N GLU A 26 5.983 3.506 -10.641 1.00 0.00 N ATOM 390 CA GLU A 26 5.154 3.784 -9.476 1.00 0.00 C ATOM 391 C GLU A 26 5.672 3.035 -8.266 1.00 0.00 C ATOM 392 O GLU A 26 5.698 3.571 -7.170 1.00 0.00 O ATOM 393 CB GLU A 26 3.700 3.437 -9.738 1.00 0.00 C ATOM 394 CG GLU A 26 3.049 4.299 -10.785 1.00 0.00 C ATOM 395 CD GLU A 26 1.599 3.954 -10.989 1.00 0.00 C ATOM 396 OE1 GLU A 26 1.309 3.042 -11.776 1.00 0.00 O ATOM 397 OE2 GLU A 26 0.725 4.597 -10.383 1.00 0.00 O ATOM 0 H GLU A 26 5.562 2.866 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 26 5.209 4.854 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.635 2.394 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.141 3.528 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.133 5.346 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.583 4.186 -11.728 1.00 0.00 H new ATOM 404 N LEU A 27 6.106 1.805 -8.483 1.00 0.00 N ATOM 405 CA LEU A 27 6.712 0.985 -7.437 1.00 0.00 C ATOM 406 C LEU A 27 7.995 1.649 -6.946 1.00 0.00 C ATOM 407 O LEU A 27 8.297 1.652 -5.751 1.00 0.00 O ATOM 408 CB LEU A 27 6.993 -0.433 -7.970 1.00 0.00 C ATOM 409 CG LEU A 27 5.754 -1.273 -8.335 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.148 -2.518 -9.120 1.00 0.00 C ATOM 411 CD2 LEU A 27 4.998 -1.674 -7.079 1.00 0.00 C ATOM 0 H LEU A 27 6.050 1.342 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 27 6.022 0.899 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.624 -0.349 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.567 -0.975 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 27 5.107 -0.660 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.254 -3.092 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.653 -2.223 -10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.819 -3.130 -8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.125 -2.267 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.650 -2.264 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.676 -0.779 -6.547 1.00 0.00 H new ATOM 423 N LYS A 28 8.713 2.236 -7.882 1.00 0.00 N ATOM 424 CA LYS A 28 9.920 2.983 -7.604 1.00 0.00 C ATOM 425 C LYS A 28 9.591 4.190 -6.718 1.00 0.00 C ATOM 426 O LYS A 28 10.278 4.449 -5.727 1.00 0.00 O ATOM 427 CB LYS A 28 10.538 3.433 -8.925 1.00 0.00 C ATOM 428 CG LYS A 28 11.849 4.176 -8.820 1.00 0.00 C ATOM 429 CD LYS A 28 12.300 4.613 -10.196 1.00 0.00 C ATOM 430 CE LYS A 28 13.628 5.326 -10.154 1.00 0.00 C ATOM 431 NZ LYS A 28 14.037 5.776 -11.495 1.00 0.00 N ATOM 0 H LYS A 28 8.469 2.206 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 28 10.635 2.355 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.690 2.554 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.821 4.072 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.735 5.045 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.605 3.536 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.377 3.742 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.549 5.271 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.561 6.184 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.388 4.660 -9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.954 6.263 -11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.123 4.954 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.323 6.430 -11.875 1.00 0.00 H new ATOM 445 N LYS A 29 8.509 4.896 -7.067 1.00 0.00 N ATOM 446 CA LYS A 29 8.043 6.051 -6.288 1.00 0.00 C ATOM 447 C LYS A 29 7.677 5.589 -4.891 1.00 0.00 C ATOM 448 O LYS A 29 8.142 6.124 -3.901 1.00 0.00 O ATOM 449 CB LYS A 29 6.776 6.655 -6.892 1.00 0.00 C ATOM 450 CG LYS A 29 6.873 7.242 -8.281 1.00 0.00 C ATOM 451 CD LYS A 29 5.498 7.743 -8.703 1.00 0.00 C ATOM 452 CE LYS A 29 5.492 8.341 -10.086 1.00 0.00 C ATOM 453 NZ LYS A 29 4.141 8.835 -10.454 1.00 0.00 N ATOM 0 H LYS A 29 7.938 4.687 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 29 8.844 6.790 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.009 5.880 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.424 7.438 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.593 8.060 -8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.232 6.490 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.789 6.916 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.154 8.490 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.207 9.162 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.818 7.593 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.801 8.324 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.486 8.676 -9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.189 9.852 -10.664 1.00 0.00 H new ATOM 467 N PHE A 30 6.849 4.572 -4.860 1.00 0.00 N ATOM 468 CA PHE A 30 6.332 3.957 -3.660 1.00 0.00 C ATOM 469 C PHE A 30 7.432 3.584 -2.657 1.00 0.00 C ATOM 470 O PHE A 30 7.353 3.961 -1.483 1.00 0.00 O ATOM 471 CB PHE A 30 5.419 2.775 -4.080 1.00 0.00 C ATOM 472 CG PHE A 30 5.389 1.553 -3.211 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.643 1.495 -2.046 1.00 0.00 C ATOM 474 CD2 PHE A 30 6.085 0.429 -3.607 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.607 0.344 -1.307 1.00 0.00 C ATOM 476 CE2 PHE A 30 6.058 -0.719 -2.866 1.00 0.00 C ATOM 477 CZ PHE A 30 5.320 -0.765 -1.714 1.00 0.00 C ATOM 0 H PHE A 30 6.501 4.130 -5.711 1.00 0.00 H new ATOM 0 HA PHE A 30 5.729 4.675 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.400 3.154 -4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.719 2.463 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.087 2.362 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.662 0.457 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.019 0.303 -0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.616 -1.586 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.296 -1.669 -1.124 1.00 0.00 H new ATOM 487 N LYS A 31 8.478 2.928 -3.120 1.00 0.00 N ATOM 488 CA LYS A 31 9.541 2.515 -2.218 1.00 0.00 C ATOM 489 C LYS A 31 10.426 3.661 -1.774 1.00 0.00 C ATOM 490 O LYS A 31 10.960 3.627 -0.674 1.00 0.00 O ATOM 491 CB LYS A 31 10.337 1.281 -2.745 1.00 0.00 C ATOM 492 CG LYS A 31 11.090 1.431 -4.095 1.00 0.00 C ATOM 493 CD LYS A 31 12.285 2.384 -4.019 1.00 0.00 C ATOM 494 CE LYS A 31 13.079 2.425 -5.315 1.00 0.00 C ATOM 495 NZ LYS A 31 13.719 1.128 -5.613 1.00 0.00 N ATOM 0 H LYS A 31 8.616 2.672 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 31 9.044 2.174 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.065 1.002 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.640 0.448 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.436 0.450 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.394 1.791 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.931 3.387 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.940 2.076 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.418 2.700 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.843 3.199 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.455 1.262 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.150 0.746 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.004 0.461 -5.967 1.00 0.00 H new ATOM 509 N LEU A 32 10.577 4.679 -2.596 1.00 0.00 N ATOM 510 CA LEU A 32 11.386 5.787 -2.175 1.00 0.00 C ATOM 511 C LEU A 32 10.596 6.651 -1.265 1.00 0.00 C ATOM 512 O LEU A 32 11.139 7.239 -0.360 1.00 0.00 O ATOM 513 CB LEU A 32 12.024 6.563 -3.356 1.00 0.00 C ATOM 514 CG LEU A 32 11.116 7.356 -4.331 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.663 8.698 -3.749 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.837 7.565 -5.638 1.00 0.00 C ATOM 0 H LEU A 32 10.164 4.757 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 32 12.242 5.398 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.742 7.266 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.591 5.846 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 32 10.215 6.765 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.030 9.213 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.100 8.525 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.536 9.312 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.197 8.123 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.755 8.126 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.082 6.598 -6.077 1.00 0.00 H new ATOM 528 N TYR A 33 9.301 6.688 -1.480 1.00 0.00 N ATOM 529 CA TYR A 33 8.440 7.461 -0.661 1.00 0.00 C ATOM 530 C TYR A 33 8.446 6.913 0.746 1.00 0.00 C ATOM 531 O TYR A 33 9.026 7.500 1.610 1.00 0.00 O ATOM 532 CB TYR A 33 7.016 7.518 -1.218 1.00 0.00 C ATOM 533 CG TYR A 33 6.123 8.435 -0.427 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.076 9.784 -0.714 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.353 7.958 0.626 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.287 10.636 0.021 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.559 8.795 1.363 1.00 0.00 C ATOM 538 CZ TYR A 33 4.531 10.141 1.056 1.00 0.00 C ATOM 539 OH TYR A 33 3.747 10.996 1.787 1.00 0.00 O ATOM 0 H TYR A 33 8.831 6.180 -2.229 1.00 0.00 H new ATOM 0 HA TYR A 33 8.815 8.484 -0.649 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.048 7.853 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.590 6.515 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.668 10.176 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.381 6.906 0.868 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.261 11.690 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.962 8.407 2.175 1.00 0.00 H new ATOM 0 HH TYR A 33 4.157 11.146 2.664 1.00 0.00 H new ATOM 549 N LEU A 34 7.887 5.736 0.945 1.00 0.00 N ATOM 550 CA LEU A 34 7.784 5.177 2.293 1.00 0.00 C ATOM 551 C LEU A 34 9.102 4.641 2.824 1.00 0.00 C ATOM 552 O LEU A 34 9.240 4.348 4.014 1.00 0.00 O ATOM 553 CB LEU A 34 6.643 4.155 2.396 1.00 0.00 C ATOM 554 CG LEU A 34 6.586 3.009 1.373 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.706 1.989 1.556 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.246 2.340 1.442 1.00 0.00 C ATOM 0 H LEU A 34 7.500 5.149 0.206 1.00 0.00 H new ATOM 0 HA LEU A 34 7.529 6.007 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.687 3.709 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.702 4.702 2.333 1.00 0.00 H new ATOM 0 HG LEU A 34 6.732 3.447 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.611 1.205 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.671 2.484 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.638 1.548 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.207 1.528 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.091 1.939 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.465 3.066 1.216 1.00 0.00 H new ATOM 568 N GLY A 35 10.063 4.520 1.955 1.00 0.00 N ATOM 569 CA GLY A 35 11.333 4.052 2.375 1.00 0.00 C ATOM 570 C GLY A 35 12.181 5.173 2.915 1.00 0.00 C ATOM 571 O GLY A 35 13.092 4.940 3.699 1.00 0.00 O ATOM 0 H GLY A 35 9.984 4.739 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.205 3.288 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.844 3.579 1.536 1.00 0.00 H new ATOM 575 N THR A 36 11.896 6.393 2.484 1.00 0.00 N ATOM 576 CA THR A 36 12.649 7.554 2.997 1.00 0.00 C ATOM 577 C THR A 36 11.746 8.480 3.835 1.00 0.00 C ATOM 578 O THR A 36 12.224 9.437 4.465 1.00 0.00 O ATOM 579 CB THR A 36 13.288 8.397 1.843 1.00 0.00 C ATOM 580 OG1 THR A 36 12.262 9.069 1.087 1.00 0.00 O ATOM 581 CG2 THR A 36 14.080 7.510 0.893 1.00 0.00 C ATOM 0 H THR A 36 11.172 6.614 1.800 1.00 0.00 H new ATOM 0 HA THR A 36 13.444 7.147 3.622 1.00 0.00 H new ATOM 0 HB THR A 36 13.956 9.126 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.650 8.406 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.513 8.121 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.877 7.009 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.417 6.764 0.455 1.00 0.00 H new ATOM 589 N ALA A 37 10.445 8.216 3.780 1.00 0.00 N ATOM 590 CA ALA A 37 9.398 9.035 4.420 1.00 0.00 C ATOM 591 C ALA A 37 9.679 9.407 5.848 1.00 0.00 C ATOM 592 O ALA A 37 9.818 8.556 6.731 1.00 0.00 O ATOM 593 CB ALA A 37 8.047 8.374 4.336 1.00 0.00 C ATOM 0 H ALA A 37 10.071 7.410 3.280 1.00 0.00 H new ATOM 0 HA ALA A 37 9.398 9.962 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.302 9.007 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.778 8.228 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.083 7.408 4.839 1.00 0.00 H new ATOM 599 N THR A 38 9.676 10.679 6.085 1.00 0.00 N ATOM 600 CA THR A 38 9.928 11.191 7.378 1.00 0.00 C ATOM 601 C THR A 38 8.660 11.218 8.225 1.00 0.00 C ATOM 602 O THR A 38 8.718 11.420 9.432 1.00 0.00 O ATOM 603 CB THR A 38 10.590 12.566 7.305 1.00 0.00 C ATOM 604 OG1 THR A 38 9.879 13.390 6.367 1.00 0.00 O ATOM 605 CG2 THR A 38 12.052 12.458 6.893 1.00 0.00 C ATOM 0 H THR A 38 9.497 11.391 5.377 1.00 0.00 H new ATOM 0 HA THR A 38 10.628 10.517 7.872 1.00 0.00 H new ATOM 0 HB THR A 38 10.554 13.016 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.302 14.273 6.321 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.493 13.454 6.851 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.592 11.853 7.622 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.120 11.989 5.911 1.00 0.00 H new ATOM 613 N GLU A 39 7.509 10.968 7.590 1.00 0.00 N ATOM 614 CA GLU A 39 6.234 10.907 8.314 1.00 0.00 C ATOM 615 C GLU A 39 6.147 9.602 9.105 1.00 0.00 C ATOM 616 O GLU A 39 5.317 9.449 10.010 1.00 0.00 O ATOM 617 CB GLU A 39 5.036 11.049 7.358 1.00 0.00 C ATOM 618 CG GLU A 39 4.848 9.892 6.389 1.00 0.00 C ATOM 619 CD GLU A 39 3.784 10.175 5.365 1.00 0.00 C ATOM 620 OE1 GLU A 39 4.111 10.781 4.334 1.00 0.00 O ATOM 621 OE2 GLU A 39 2.597 9.806 5.574 1.00 0.00 O ATOM 0 H GLU A 39 7.434 10.806 6.586 1.00 0.00 H new ATOM 0 HA GLU A 39 6.195 11.746 9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.128 11.158 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.155 11.968 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.791 9.687 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.584 8.993 6.946 1.00 0.00 H new ATOM 628 N LEU A 40 6.987 8.653 8.728 1.00 0.00 N ATOM 629 CA LEU A 40 7.086 7.404 9.440 1.00 0.00 C ATOM 630 C LEU A 40 8.333 7.357 10.267 1.00 0.00 C ATOM 631 O LEU A 40 8.468 6.560 11.175 1.00 0.00 O ATOM 632 CB LEU A 40 6.929 6.212 8.515 1.00 0.00 C ATOM 633 CG LEU A 40 7.822 6.098 7.296 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.186 5.570 7.648 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.159 5.245 6.254 1.00 0.00 C ATOM 0 H LEU A 40 7.612 8.731 7.926 1.00 0.00 H new ATOM 0 HA LEU A 40 6.251 7.341 10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.074 5.312 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.896 6.201 8.167 1.00 0.00 H new ATOM 0 HG LEU A 40 7.969 7.098 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.794 5.504 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.664 6.243 8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.089 4.580 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.807 5.168 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.977 4.250 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.211 5.697 5.963 1.00 0.00 H new ATOM 647 N GLY A 41 9.257 8.165 9.883 1.00 0.00 N ATOM 648 CA GLY A 41 10.440 8.366 10.663 1.00 0.00 C ATOM 649 C GLY A 41 11.652 8.580 9.817 1.00 0.00 C ATOM 650 O GLY A 41 11.797 9.612 9.167 1.00 0.00 O ATOM 0 H GLY A 41 9.220 8.708 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.299 9.228 11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.598 7.501 11.307 1.00 0.00 H new ATOM 654 N GLU A 42 12.510 7.620 9.832 1.00 0.00 N ATOM 655 CA GLU A 42 13.737 7.648 9.073 1.00 0.00 C ATOM 656 C GLU A 42 13.548 6.875 7.788 1.00 0.00 C ATOM 657 O GLU A 42 14.025 7.273 6.720 1.00 0.00 O ATOM 658 CB GLU A 42 14.868 7.034 9.916 1.00 0.00 C ATOM 659 CG GLU A 42 16.190 6.832 9.190 1.00 0.00 C ATOM 660 CD GLU A 42 17.247 6.257 10.097 1.00 0.00 C ATOM 661 OE1 GLU A 42 17.018 5.176 10.692 1.00 0.00 O ATOM 662 OE2 GLU A 42 18.300 6.899 10.272 1.00 0.00 O ATOM 0 H GLU A 42 12.386 6.769 10.381 1.00 0.00 H new ATOM 0 HA GLU A 42 14.002 8.676 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.042 7.675 10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.531 6.070 10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.039 6.166 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.534 7.786 8.790 1.00 0.00 H new ATOM 669 N GLY A 43 12.817 5.804 7.891 1.00 0.00 N ATOM 670 CA GLY A 43 12.627 4.945 6.785 1.00 0.00 C ATOM 671 C GLY A 43 12.826 3.536 7.214 1.00 0.00 C ATOM 672 O GLY A 43 13.887 3.183 7.730 1.00 0.00 O ATOM 0 H GLY A 43 12.342 5.512 8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.624 5.075 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.329 5.197 5.990 1.00 0.00 H new ATOM 676 N LYS A 44 11.806 2.732 7.072 1.00 0.00 N ATOM 677 CA LYS A 44 11.904 1.334 7.451 1.00 0.00 C ATOM 678 C LYS A 44 12.508 0.485 6.341 1.00 0.00 C ATOM 679 O LYS A 44 12.807 -0.685 6.549 1.00 0.00 O ATOM 680 CB LYS A 44 10.557 0.729 7.890 1.00 0.00 C ATOM 681 CG LYS A 44 10.131 0.978 9.346 1.00 0.00 C ATOM 682 CD LYS A 44 9.632 2.391 9.631 1.00 0.00 C ATOM 683 CE LYS A 44 9.244 2.505 11.105 1.00 0.00 C ATOM 684 NZ LYS A 44 8.569 3.776 11.451 1.00 0.00 N ATOM 0 H LYS A 44 10.899 3.012 6.699 1.00 0.00 H new ATOM 0 HA LYS A 44 12.571 1.319 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.778 1.121 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.598 -0.348 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.344 0.270 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.978 0.768 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.408 3.118 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.774 2.620 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.587 1.674 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.141 2.404 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.609 3.921 12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.047 4.565 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.576 3.736 11.145 1.00 0.00 H new ATOM 698 N ILE A 45 12.698 1.062 5.184 1.00 0.00 N ATOM 699 CA ILE A 45 13.209 0.313 4.066 1.00 0.00 C ATOM 700 C ILE A 45 14.677 0.642 3.810 1.00 0.00 C ATOM 701 O ILE A 45 15.032 1.814 3.637 1.00 0.00 O ATOM 702 CB ILE A 45 12.416 0.585 2.767 1.00 0.00 C ATOM 703 CG1 ILE A 45 10.916 0.296 2.949 1.00 0.00 C ATOM 704 CG2 ILE A 45 12.982 -0.274 1.644 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.597 -1.154 3.202 1.00 0.00 C ATOM 0 H ILE A 45 12.507 2.045 4.991 1.00 0.00 H new ATOM 0 HA ILE A 45 13.101 -0.738 4.333 1.00 0.00 H new ATOM 0 HB ILE A 45 12.519 1.641 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.541 0.891 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.383 0.624 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.426 -0.085 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.032 -0.025 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.894 -1.327 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.520 -1.275 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.940 -1.754 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.100 -1.484 4.111 1.00 0.00 H new ATOM 717 N PRO A 46 15.549 -0.378 3.819 1.00 0.00 N ATOM 718 CA PRO A 46 16.947 -0.209 3.467 1.00 0.00 C ATOM 719 C PRO A 46 17.161 0.127 1.972 1.00 0.00 C ATOM 720 O PRO A 46 16.291 -0.080 1.121 1.00 0.00 O ATOM 721 CB PRO A 46 17.594 -1.540 3.817 1.00 0.00 C ATOM 722 CG PRO A 46 16.479 -2.516 3.878 1.00 0.00 C ATOM 723 CD PRO A 46 15.243 -1.758 4.230 1.00 0.00 C ATOM 0 HA PRO A 46 17.382 0.634 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.329 -1.829 3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.119 -1.483 4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.359 -3.023 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.683 -3.286 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.371 -2.148 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.026 -1.819 5.296 1.00 0.00 H new ATOM 731 N TRP A 47 18.359 0.567 1.692 1.00 0.00 N ATOM 732 CA TRP A 47 18.795 1.122 0.414 1.00 0.00 C ATOM 733 C TRP A 47 18.762 0.120 -0.765 1.00 0.00 C ATOM 734 O TRP A 47 18.651 0.530 -1.927 1.00 0.00 O ATOM 735 CB TRP A 47 20.223 1.673 0.595 1.00 0.00 C ATOM 736 CG TRP A 47 20.349 2.675 1.726 1.00 0.00 C ATOM 737 CD1 TRP A 47 20.355 4.031 1.618 1.00 0.00 C ATOM 738 CD2 TRP A 47 20.477 2.387 3.138 1.00 0.00 C ATOM 739 NE1 TRP A 47 20.481 4.604 2.861 1.00 0.00 N ATOM 740 CE2 TRP A 47 20.552 3.619 3.807 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.528 1.206 3.895 1.00 0.00 C ATOM 742 CZ2 TRP A 47 20.678 3.707 5.194 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.650 1.293 5.263 1.00 0.00 C ATOM 744 CH2 TRP A 47 20.723 2.536 5.903 1.00 0.00 C ATOM 0 H TRP A 47 19.109 0.552 2.383 1.00 0.00 H new ATOM 0 HA TRP A 47 18.086 1.905 0.144 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.903 0.842 0.780 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.542 2.145 -0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 47 20.273 4.578 0.690 1.00 0.00 H new ATOM 0 HE1 TRP A 47 20.516 5.606 3.048 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.472 0.242 3.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 20.738 4.664 5.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.690 0.389 5.852 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.817 2.572 6.978 1.00 0.00 H new ATOM 755 N GLY A 48 18.838 -1.168 -0.485 1.00 0.00 N ATOM 756 CA GLY A 48 18.911 -2.119 -1.574 1.00 0.00 C ATOM 757 C GLY A 48 18.090 -3.366 -1.360 1.00 0.00 C ATOM 758 O GLY A 48 18.524 -4.461 -1.697 1.00 0.00 O ATOM 0 H GLY A 48 18.851 -1.568 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.579 -1.631 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.952 -2.404 -1.724 1.00 0.00 H new ATOM 762 N SER A 49 16.918 -3.221 -0.799 1.00 0.00 N ATOM 763 CA SER A 49 16.046 -4.366 -0.600 1.00 0.00 C ATOM 764 C SER A 49 14.820 -4.262 -1.499 1.00 0.00 C ATOM 765 O SER A 49 13.938 -5.130 -1.488 1.00 0.00 O ATOM 766 CB SER A 49 15.609 -4.392 0.849 1.00 0.00 C ATOM 767 OG SER A 49 15.031 -3.142 1.192 1.00 0.00 O ATOM 0 H SER A 49 16.541 -2.332 -0.472 1.00 0.00 H new ATOM 0 HA SER A 49 16.583 -5.281 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.888 -5.194 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.463 -4.599 1.494 1.00 0.00 H new ATOM 0 HG SER A 49 14.068 -3.167 1.014 1.00 0.00 H new ATOM 773 N MET A 50 14.772 -3.202 -2.272 1.00 0.00 N ATOM 774 CA MET A 50 13.611 -2.894 -3.076 1.00 0.00 C ATOM 775 C MET A 50 13.980 -2.427 -4.475 1.00 0.00 C ATOM 776 O MET A 50 13.216 -1.707 -5.121 1.00 0.00 O ATOM 777 CB MET A 50 12.734 -1.855 -2.352 1.00 0.00 C ATOM 778 CG MET A 50 13.488 -0.722 -1.649 1.00 0.00 C ATOM 779 SD MET A 50 14.622 0.201 -2.713 1.00 0.00 S ATOM 780 CE MET A 50 15.237 1.441 -1.565 1.00 0.00 C ATOM 0 H MET A 50 15.534 -2.530 -2.362 1.00 0.00 H new ATOM 0 HA MET A 50 13.040 -3.814 -3.203 1.00 0.00 H new ATOM 0 HB2 MET A 50 12.050 -1.415 -3.078 1.00 0.00 H new ATOM 0 HB3 MET A 50 12.124 -2.374 -1.613 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.762 -0.028 -1.226 1.00 0.00 H new ATOM 0 HG3 MET A 50 14.052 -1.141 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.886 2.426 -1.872 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.871 1.221 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.327 1.428 -1.565 1.00 0.00 H new ATOM 790 N GLU A 51 15.115 -2.864 -4.958 1.00 0.00 N ATOM 791 CA GLU A 51 15.548 -2.490 -6.286 1.00 0.00 C ATOM 792 C GLU A 51 14.955 -3.437 -7.311 1.00 0.00 C ATOM 793 O GLU A 51 14.275 -3.022 -8.242 1.00 0.00 O ATOM 794 CB GLU A 51 17.052 -2.542 -6.411 1.00 0.00 C ATOM 795 CG GLU A 51 17.818 -1.643 -5.499 1.00 0.00 C ATOM 796 CD GLU A 51 19.263 -1.637 -5.876 1.00 0.00 C ATOM 797 OE1 GLU A 51 19.893 -2.721 -5.897 1.00 0.00 O ATOM 798 OE2 GLU A 51 19.784 -0.571 -6.236 1.00 0.00 O ATOM 0 H GLU A 51 15.757 -3.478 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 51 15.208 -1.470 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.376 -3.568 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.320 -2.297 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.416 -0.631 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.705 -1.977 -4.468 1.00 0.00 H new ATOM 805 N LYS A 52 15.212 -4.716 -7.120 1.00 0.00 N ATOM 806 CA LYS A 52 14.745 -5.738 -8.042 1.00 0.00 C ATOM 807 C LYS A 52 13.554 -6.467 -7.448 1.00 0.00 C ATOM 808 O LYS A 52 13.204 -7.571 -7.872 1.00 0.00 O ATOM 809 CB LYS A 52 15.863 -6.755 -8.401 1.00 0.00 C ATOM 810 CG LYS A 52 17.090 -6.171 -9.118 1.00 0.00 C ATOM 811 CD LYS A 52 18.101 -5.550 -8.160 1.00 0.00 C ATOM 812 CE LYS A 52 19.221 -4.861 -8.923 1.00 0.00 C ATOM 813 NZ LYS A 52 20.323 -4.389 -8.043 1.00 0.00 N ATOM 0 H LYS A 52 15.746 -5.076 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 52 14.448 -5.237 -8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.197 -7.238 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.432 -7.533 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.578 -6.959 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.761 -5.415 -9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.600 -4.830 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.518 -6.323 -7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.626 -5.551 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.811 -4.011 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.071 -3.959 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.955 -3.683 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.715 -5.195 -7.515 1.00 0.00 H new ATOM 827 N ALA A 53 12.925 -5.834 -6.494 1.00 0.00 N ATOM 828 CA ALA A 53 11.786 -6.402 -5.814 1.00 0.00 C ATOM 829 C ALA A 53 10.512 -6.038 -6.551 1.00 0.00 C ATOM 830 O ALA A 53 10.316 -4.879 -6.926 1.00 0.00 O ATOM 831 CB ALA A 53 11.730 -5.910 -4.377 1.00 0.00 C ATOM 0 H ALA A 53 13.188 -4.905 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 53 11.886 -7.487 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.866 -6.347 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.640 -6.207 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.644 -4.823 -4.368 1.00 0.00 H new ATOM 837 N GLY A 54 9.672 -7.016 -6.773 1.00 0.00 N ATOM 838 CA GLY A 54 8.446 -6.792 -7.451 1.00 0.00 C ATOM 839 C GLY A 54 7.292 -6.720 -6.481 1.00 0.00 C ATOM 840 O GLY A 54 7.512 -6.687 -5.274 1.00 0.00 O ATOM 0 H GLY A 54 9.828 -7.982 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.506 -5.864 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.272 -7.594 -8.168 1.00 0.00 H new ATOM 844 N PRO A 55 6.056 -6.757 -6.983 1.00 0.00 N ATOM 845 CA PRO A 55 4.823 -6.596 -6.183 1.00 0.00 C ATOM 846 C PRO A 55 4.747 -7.521 -4.962 1.00 0.00 C ATOM 847 O PRO A 55 4.401 -7.081 -3.862 1.00 0.00 O ATOM 848 CB PRO A 55 3.716 -6.951 -7.173 1.00 0.00 C ATOM 849 CG PRO A 55 4.300 -6.654 -8.508 1.00 0.00 C ATOM 850 CD PRO A 55 5.758 -6.976 -8.399 1.00 0.00 C ATOM 0 HA PRO A 55 4.760 -5.591 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.430 -8.000 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.818 -6.360 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.825 -7.253 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.150 -5.608 -8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.965 -8.004 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.360 -6.331 -9.039 1.00 0.00 H new ATOM 858 N LEU A 56 5.103 -8.779 -5.151 1.00 0.00 N ATOM 859 CA LEU A 56 5.026 -9.767 -4.063 1.00 0.00 C ATOM 860 C LEU A 56 6.108 -9.512 -3.040 1.00 0.00 C ATOM 861 O LEU A 56 5.852 -9.500 -1.839 1.00 0.00 O ATOM 862 CB LEU A 56 5.107 -11.229 -4.573 1.00 0.00 C ATOM 863 CG LEU A 56 3.891 -11.799 -5.342 1.00 0.00 C ATOM 864 CD1 LEU A 56 3.653 -11.085 -6.660 1.00 0.00 C ATOM 865 CD2 LEU A 56 4.060 -13.291 -5.571 1.00 0.00 C ATOM 0 H LEU A 56 5.447 -9.149 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 56 4.048 -9.645 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.979 -11.308 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.290 -11.873 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 56 3.011 -11.628 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.789 -11.523 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.467 -10.028 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.532 -11.191 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.196 -13.676 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.963 -13.470 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.142 -13.800 -4.610 1.00 0.00 H new ATOM 877 N GLU A 57 7.300 -9.260 -3.524 1.00 0.00 N ATOM 878 CA GLU A 57 8.446 -8.988 -2.674 1.00 0.00 C ATOM 879 C GLU A 57 8.243 -7.714 -1.886 1.00 0.00 C ATOM 880 O GLU A 57 8.596 -7.648 -0.727 1.00 0.00 O ATOM 881 CB GLU A 57 9.688 -8.892 -3.512 1.00 0.00 C ATOM 882 CG GLU A 57 10.051 -10.189 -4.177 1.00 0.00 C ATOM 883 CD GLU A 57 11.040 -9.986 -5.257 1.00 0.00 C ATOM 884 OE1 GLU A 57 12.254 -9.993 -4.983 1.00 0.00 O ATOM 885 OE2 GLU A 57 10.621 -9.812 -6.418 1.00 0.00 O ATOM 0 H GLU A 57 7.509 -9.236 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 57 8.555 -9.808 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.546 -8.126 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.518 -8.567 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.456 -10.878 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.154 -10.653 -4.586 1.00 0.00 H new ATOM 892 N MET A 58 7.657 -6.722 -2.529 1.00 0.00 N ATOM 893 CA MET A 58 7.326 -5.450 -1.890 1.00 0.00 C ATOM 894 C MET A 58 6.288 -5.662 -0.806 1.00 0.00 C ATOM 895 O MET A 58 6.404 -5.125 0.279 1.00 0.00 O ATOM 896 CB MET A 58 6.812 -4.456 -2.926 1.00 0.00 C ATOM 897 CG MET A 58 7.876 -3.982 -3.910 1.00 0.00 C ATOM 898 SD MET A 58 8.997 -2.742 -3.250 1.00 0.00 S ATOM 899 CE MET A 58 9.879 -2.311 -4.750 1.00 0.00 C ATOM 0 H MET A 58 7.394 -6.770 -3.513 1.00 0.00 H new ATOM 0 HA MET A 58 8.229 -5.043 -1.434 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.996 -4.916 -3.483 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.397 -3.590 -2.410 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.458 -4.843 -4.239 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.382 -3.575 -4.792 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.908 -2.664 -4.681 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.391 -2.778 -5.606 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.875 -1.228 -4.876 1.00 0.00 H new ATOM 909 N ALA A 59 5.298 -6.483 -1.093 1.00 0.00 N ATOM 910 CA ALA A 59 4.260 -6.787 -0.125 1.00 0.00 C ATOM 911 C ALA A 59 4.865 -7.439 1.115 1.00 0.00 C ATOM 912 O ALA A 59 4.592 -7.032 2.252 1.00 0.00 O ATOM 913 CB ALA A 59 3.206 -7.691 -0.743 1.00 0.00 C ATOM 0 H ALA A 59 5.189 -6.954 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 59 3.780 -5.855 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.435 -7.909 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.755 -7.191 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.671 -8.622 -1.068 1.00 0.00 H new ATOM 919 N GLN A 60 5.726 -8.408 0.886 1.00 0.00 N ATOM 920 CA GLN A 60 6.387 -9.116 1.965 1.00 0.00 C ATOM 921 C GLN A 60 7.383 -8.199 2.681 1.00 0.00 C ATOM 922 O GLN A 60 7.597 -8.319 3.884 1.00 0.00 O ATOM 923 CB GLN A 60 7.092 -10.352 1.436 1.00 0.00 C ATOM 924 CG GLN A 60 6.174 -11.336 0.727 1.00 0.00 C ATOM 925 CD GLN A 60 6.916 -12.539 0.169 1.00 0.00 C ATOM 926 OE1 GLN A 60 7.983 -12.931 0.812 1.00 0.00 O flip ATOM 927 NE2 GLN A 60 6.519 -13.127 -0.840 1.00 0.00 N flip ATOM 0 H GLN A 60 5.987 -8.727 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 60 5.630 -9.430 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.877 -10.042 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.581 -10.861 2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.409 -11.678 1.424 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.659 -10.824 -0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.683 -12.801 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.027 -13.939 -1.190 1.00 0.00 H new ATOM 936 N LEU A 61 7.969 -7.289 1.929 1.00 0.00 N ATOM 937 CA LEU A 61 8.912 -6.304 2.436 1.00 0.00 C ATOM 938 C LEU A 61 8.202 -5.454 3.490 1.00 0.00 C ATOM 939 O LEU A 61 8.589 -5.433 4.666 1.00 0.00 O ATOM 940 CB LEU A 61 9.364 -5.404 1.272 1.00 0.00 C ATOM 941 CG LEU A 61 10.576 -4.514 1.488 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.832 -5.354 1.584 1.00 0.00 C ATOM 943 CD2 LEU A 61 10.696 -3.512 0.355 1.00 0.00 C ATOM 0 H LEU A 61 7.801 -7.209 0.926 1.00 0.00 H new ATOM 0 HA LEU A 61 9.780 -6.795 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.569 -6.045 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.525 -4.765 0.999 1.00 0.00 H new ATOM 0 HG LEU A 61 10.450 -3.970 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.693 -4.704 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.744 -6.046 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.964 -5.918 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.568 -2.879 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.807 -4.043 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.800 -2.893 0.320 1.00 0.00 H new ATOM 955 N LEU A 62 7.119 -4.813 3.064 1.00 0.00 N ATOM 956 CA LEU A 62 6.305 -3.968 3.923 1.00 0.00 C ATOM 957 C LEU A 62 5.779 -4.751 5.125 1.00 0.00 C ATOM 958 O LEU A 62 5.806 -4.257 6.245 1.00 0.00 O ATOM 959 CB LEU A 62 5.109 -3.379 3.158 1.00 0.00 C ATOM 960 CG LEU A 62 5.299 -2.168 2.214 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.491 -2.309 1.313 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.046 -2.031 1.385 1.00 0.00 C ATOM 0 H LEU A 62 6.780 -4.867 2.103 1.00 0.00 H new ATOM 0 HA LEU A 62 6.947 -3.157 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.679 -4.185 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.362 -3.095 3.899 1.00 0.00 H new ATOM 0 HG LEU A 62 5.478 -1.282 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.571 -1.429 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.394 -2.403 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.375 -3.197 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.149 -1.183 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.891 -2.942 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.191 -1.869 2.042 1.00 0.00 H new ATOM 974 N ILE A 63 5.307 -5.968 4.886 1.00 0.00 N ATOM 975 CA ILE A 63 4.740 -6.804 5.949 1.00 0.00 C ATOM 976 C ILE A 63 5.821 -7.159 7.011 1.00 0.00 C ATOM 977 O ILE A 63 5.528 -7.268 8.195 1.00 0.00 O ATOM 978 CB ILE A 63 4.025 -8.087 5.343 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.718 -8.426 6.094 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.938 -9.318 5.304 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.888 -8.930 7.514 1.00 0.00 C ATOM 0 H ILE A 63 5.304 -6.404 3.964 1.00 0.00 H new ATOM 0 HA ILE A 63 3.968 -6.235 6.467 1.00 0.00 H new ATOM 0 HB ILE A 63 3.781 -7.824 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.092 -7.534 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.177 -9.180 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.393 -10.162 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.811 -9.104 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.259 -9.565 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.909 -9.137 7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.482 -9.844 7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.395 -8.172 8.111 1.00 0.00 H new ATOM 993 N THR A 64 7.064 -7.264 6.580 1.00 0.00 N ATOM 994 CA THR A 64 8.149 -7.592 7.479 1.00 0.00 C ATOM 995 C THR A 64 8.585 -6.358 8.290 1.00 0.00 C ATOM 996 O THR A 64 8.810 -6.444 9.504 1.00 0.00 O ATOM 997 CB THR A 64 9.361 -8.172 6.697 1.00 0.00 C ATOM 998 OG1 THR A 64 8.941 -9.330 5.946 1.00 0.00 O ATOM 999 CG2 THR A 64 10.494 -8.577 7.640 1.00 0.00 C ATOM 0 H THR A 64 7.346 -7.126 5.609 1.00 0.00 H new ATOM 0 HA THR A 64 7.786 -8.351 8.172 1.00 0.00 H new ATOM 0 HB THR A 64 9.730 -7.395 6.027 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.647 -9.052 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.325 -8.978 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.831 -7.705 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.136 -9.337 8.334 1.00 0.00 H new ATOM 1007 N HIS A 65 8.677 -5.220 7.636 1.00 0.00 N ATOM 1008 CA HIS A 65 9.161 -4.019 8.305 1.00 0.00 C ATOM 1009 C HIS A 65 8.066 -3.297 9.076 1.00 0.00 C ATOM 1010 O HIS A 65 8.250 -2.944 10.247 1.00 0.00 O ATOM 1011 CB HIS A 65 9.852 -3.060 7.333 1.00 0.00 C ATOM 1012 CG HIS A 65 11.070 -3.632 6.672 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.218 -4.176 5.446 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.308 -3.705 7.269 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.535 -4.589 5.278 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.149 -4.282 6.405 1.00 0.00 N flip ATOM 0 H HIS A 65 8.428 -5.095 6.655 1.00 0.00 H new ATOM 0 HA HIS A 65 9.901 -4.361 9.029 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.139 -2.764 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.135 -2.155 7.871 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.478 -4.270 4.750 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.556 -3.357 8.261 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.965 -5.062 4.408 1.00 0.00 H new ATOM 1024 N PHE A 66 6.961 -3.049 8.420 1.00 0.00 N ATOM 1025 CA PHE A 66 5.828 -2.374 9.021 1.00 0.00 C ATOM 1026 C PHE A 66 4.943 -3.330 9.818 1.00 0.00 C ATOM 1027 O PHE A 66 4.851 -3.224 11.039 1.00 0.00 O ATOM 1028 CB PHE A 66 5.031 -1.654 7.936 1.00 0.00 C ATOM 1029 CG PHE A 66 5.867 -0.680 7.193 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.132 0.560 7.726 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.420 -1.019 5.979 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.936 1.445 7.057 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.217 -0.142 5.301 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.478 1.091 5.841 1.00 0.00 C ATOM 0 H PHE A 66 6.816 -3.310 7.445 1.00 0.00 H new ATOM 0 HA PHE A 66 6.206 -1.641 9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.621 -2.386 7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.186 -1.136 8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.704 0.838 8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.221 -1.993 5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.144 2.416 7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.639 -0.418 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.111 1.787 5.311 1.00 0.00 H new ATOM 1044 N GLY A 67 4.315 -4.252 9.147 1.00 0.00 N ATOM 1045 CA GLY A 67 3.415 -5.173 9.809 1.00 0.00 C ATOM 1046 C GLY A 67 2.263 -5.500 8.900 1.00 0.00 C ATOM 1047 O GLY A 67 2.213 -4.959 7.821 1.00 0.00 O ATOM 0 H GLY A 67 4.405 -4.392 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.947 -6.085 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.046 -4.733 10.735 1.00 0.00 H new ATOM 1051 N PRO A 68 1.307 -6.345 9.313 1.00 0.00 N ATOM 1052 CA PRO A 68 0.192 -6.777 8.445 1.00 0.00 C ATOM 1053 C PRO A 68 -0.693 -5.622 7.953 1.00 0.00 C ATOM 1054 O PRO A 68 -0.789 -5.366 6.745 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.606 -7.756 9.319 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.187 -7.461 10.720 1.00 0.00 C ATOM 1057 CD PRO A 68 1.228 -6.958 10.648 1.00 0.00 C ATOM 0 HA PRO A 68 0.567 -7.225 7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.679 -7.614 9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.388 -8.790 9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.841 -6.715 11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.249 -8.356 11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.437 -6.234 11.435 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.948 -7.768 10.761 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.293 -4.901 8.874 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.176 -3.818 8.506 1.00 0.00 C ATOM 1067 C GLU A 69 -1.373 -2.577 8.207 1.00 0.00 C ATOM 1068 O GLU A 69 -1.787 -1.732 7.422 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.180 -3.539 9.611 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.094 -4.707 9.928 1.00 0.00 C ATOM 1071 CD GLU A 69 -5.066 -4.373 11.019 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -6.164 -3.876 10.721 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.731 -4.576 12.208 1.00 0.00 O ATOM 0 H GLU A 69 -1.186 -5.044 9.878 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.726 -4.111 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.640 -3.259 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.790 -2.682 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.640 -4.995 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.495 -5.567 10.226 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.207 -2.492 8.816 1.00 0.00 N ATOM 1081 CA GLU A 70 0.662 -1.353 8.643 1.00 0.00 C ATOM 1082 C GLU A 70 1.182 -1.326 7.195 1.00 0.00 C ATOM 1083 O GLU A 70 1.209 -0.287 6.568 1.00 0.00 O ATOM 1084 CB GLU A 70 1.815 -1.423 9.643 1.00 0.00 C ATOM 1085 CG GLU A 70 2.465 -0.083 9.948 1.00 0.00 C ATOM 1086 CD GLU A 70 1.504 0.867 10.631 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.114 0.597 11.791 1.00 0.00 O ATOM 1088 OE2 GLU A 70 1.101 1.873 10.026 1.00 0.00 O ATOM 0 H GLU A 70 0.160 -3.209 9.441 1.00 0.00 H new ATOM 0 HA GLU A 70 0.110 -0.432 8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.447 -1.854 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.575 -2.102 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.336 -0.238 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.823 0.366 9.022 1.00 0.00 H new ATOM 1095 N ALA A 71 1.551 -2.495 6.671 1.00 0.00 N ATOM 1096 CA ALA A 71 2.000 -2.639 5.281 1.00 0.00 C ATOM 1097 C ALA A 71 0.928 -2.165 4.322 1.00 0.00 C ATOM 1098 O ALA A 71 1.196 -1.359 3.427 1.00 0.00 O ATOM 1099 CB ALA A 71 2.300 -4.090 4.988 1.00 0.00 C ATOM 0 H ALA A 71 1.548 -3.370 7.196 1.00 0.00 H new ATOM 0 HA ALA A 71 2.897 -2.034 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.633 -4.191 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.084 -4.442 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.400 -4.685 5.139 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.290 -2.655 4.529 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.411 -2.280 3.697 1.00 0.00 C ATOM 1107 C TRP A 72 -1.664 -0.783 3.775 1.00 0.00 C ATOM 1108 O TRP A 72 -1.806 -0.103 2.737 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.676 -3.091 4.061 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.927 -2.594 3.383 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.121 -2.317 3.976 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.084 -2.255 1.995 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.011 -1.853 3.044 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.392 -1.803 1.822 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.236 -2.295 0.891 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.876 -1.396 0.592 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.714 -1.892 -0.333 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.024 -1.446 -0.475 1.00 0.00 C ATOM 0 H TRP A 72 -0.519 -3.316 5.272 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.160 -2.521 2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.518 -4.135 3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.820 -3.058 5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.335 -2.444 5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.978 -1.588 3.229 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.217 -2.638 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.893 -1.050 0.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.064 -1.922 -1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.374 -1.133 -1.448 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.680 -0.279 4.988 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.883 1.123 5.245 1.00 0.00 C ATOM 1131 C ARG A 73 -0.852 1.935 4.492 1.00 0.00 C ATOM 1132 O ARG A 73 -1.202 2.843 3.753 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.777 1.398 6.741 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.864 2.854 7.150 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.565 2.992 8.628 1.00 0.00 C ATOM 1136 NE ARG A 73 -1.638 4.374 9.096 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.139 4.801 10.258 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -0.298 4.032 10.953 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -1.406 6.032 10.682 1.00 0.00 N ATOM 0 H ARG A 73 -1.551 -0.839 5.831 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.878 1.409 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.570 0.849 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.830 0.995 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.157 3.447 6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.859 3.243 6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.270 2.384 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.569 2.597 8.831 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.100 5.057 8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.034 3.113 10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.081 4.363 11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.992 6.649 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.025 6.359 11.570 1.00 0.00 H new ATOM 1153 N LEU A 74 0.402 1.557 4.659 1.00 0.00 N ATOM 1154 CA LEU A 74 1.532 2.198 4.012 1.00 0.00 C ATOM 1155 C LEU A 74 1.381 2.254 2.505 1.00 0.00 C ATOM 1156 O LEU A 74 1.559 3.306 1.921 1.00 0.00 O ATOM 1157 CB LEU A 74 2.849 1.509 4.398 1.00 0.00 C ATOM 1158 CG LEU A 74 3.682 2.155 5.525 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.276 3.460 5.057 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.856 2.384 6.781 1.00 0.00 C ATOM 0 H LEU A 74 0.669 0.779 5.262 1.00 0.00 H new ATOM 0 HA LEU A 74 1.557 3.227 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.620 0.485 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.474 1.452 3.507 1.00 0.00 H new ATOM 0 HG LEU A 74 4.484 1.460 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.861 3.903 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.922 3.278 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.476 4.142 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.481 2.840 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.021 3.046 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.473 1.430 7.144 1.00 0.00 H new ATOM 1172 N ALA A 75 1.016 1.142 1.886 1.00 0.00 N ATOM 1173 CA ALA A 75 0.889 1.106 0.436 1.00 0.00 C ATOM 1174 C ALA A 75 -0.222 2.006 -0.055 1.00 0.00 C ATOM 1175 O ALA A 75 0.007 2.841 -0.926 1.00 0.00 O ATOM 1176 CB ALA A 75 0.679 -0.287 -0.072 1.00 0.00 C ATOM 0 H ALA A 75 0.805 0.262 2.357 1.00 0.00 H new ATOM 0 HA ALA A 75 1.833 1.478 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.589 -0.269 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.528 -0.909 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.233 -0.698 0.360 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.417 1.882 0.531 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.552 2.681 0.072 1.00 0.00 C ATOM 1184 C LEU A 76 -2.280 4.157 0.321 1.00 0.00 C ATOM 1185 O LEU A 76 -2.503 4.995 -0.538 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.901 2.202 0.697 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.200 2.530 2.180 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.820 3.919 2.333 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.106 1.486 2.785 1.00 0.00 C ATOM 0 H LEU A 76 -1.619 1.251 1.306 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.664 2.538 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.709 2.622 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.950 1.119 0.583 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.250 2.524 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.017 4.116 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.131 4.670 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.755 3.963 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.303 1.736 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.046 1.457 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.624 0.510 2.731 1.00 0.00 H new ATOM 1201 N SER A 77 -1.672 4.431 1.452 1.00 0.00 N ATOM 1202 CA SER A 77 -1.347 5.768 1.870 1.00 0.00 C ATOM 1203 C SER A 77 -0.098 6.304 1.148 1.00 0.00 C ATOM 1204 O SER A 77 0.381 7.394 1.437 1.00 0.00 O ATOM 1205 CB SER A 77 -1.183 5.774 3.378 1.00 0.00 C ATOM 1206 OG SER A 77 -2.408 5.450 4.019 1.00 0.00 O ATOM 0 H SER A 77 -1.385 3.714 2.118 1.00 0.00 H new ATOM 0 HA SER A 77 -2.158 6.443 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.415 5.057 3.668 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.843 6.756 3.708 1.00 0.00 H new ATOM 0 HG SER A 77 -2.464 4.480 4.147 1.00 0.00 H new ATOM 1212 N THR A 78 0.422 5.520 0.234 1.00 0.00 N ATOM 1213 CA THR A 78 1.480 5.949 -0.621 1.00 0.00 C ATOM 1214 C THR A 78 0.947 6.067 -2.057 1.00 0.00 C ATOM 1215 O THR A 78 1.420 6.900 -2.822 1.00 0.00 O ATOM 1216 CB THR A 78 2.711 5.012 -0.531 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.204 5.027 0.811 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.824 5.459 -1.459 1.00 0.00 C ATOM 0 H THR A 78 0.114 4.562 0.069 1.00 0.00 H new ATOM 0 HA THR A 78 1.828 6.929 -0.293 1.00 0.00 H new ATOM 0 HB THR A 78 2.398 4.011 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.598 4.517 1.388 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.670 4.777 -1.368 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.464 5.454 -2.488 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.140 6.467 -1.190 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.099 5.273 -2.387 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.747 5.329 -3.704 1.00 0.00 C ATOM 1228 C PHE A 79 -1.170 6.760 -4.005 1.00 0.00 C ATOM 1229 O PHE A 79 -0.770 7.338 -5.011 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.995 4.417 -3.784 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.763 2.935 -3.694 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.564 2.366 -4.074 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.774 2.106 -3.234 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.380 1.003 -3.992 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.592 0.746 -3.152 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.392 0.192 -3.528 1.00 0.00 C ATOM 0 H PHE A 79 -0.507 4.587 -1.752 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.020 4.976 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.676 4.703 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.506 4.624 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.236 2.994 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.719 2.535 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.562 0.569 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.391 0.114 -2.793 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.243 -0.875 -3.460 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.927 7.336 -3.086 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.415 8.724 -3.176 1.00 0.00 C ATOM 1248 C GLU A 80 -1.256 9.724 -3.405 1.00 0.00 C ATOM 1249 O GLU A 80 -1.386 10.688 -4.159 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.161 9.082 -1.875 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.374 8.667 -0.646 1.00 0.00 C ATOM 1252 CD GLU A 80 -2.933 9.131 0.682 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -2.780 10.318 1.016 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.449 8.317 1.448 1.00 0.00 O ATOM 0 H GLU A 80 -2.231 6.855 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.088 8.796 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.345 10.156 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.135 8.592 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.308 7.579 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.357 9.047 -0.743 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.116 9.428 -2.804 1.00 0.00 N ATOM 1262 CA ARG A 81 1.046 10.302 -2.822 1.00 0.00 C ATOM 1263 C ARG A 81 1.755 10.213 -4.155 1.00 0.00 C ATOM 1264 O ARG A 81 2.201 11.211 -4.702 1.00 0.00 O ATOM 1265 CB ARG A 81 2.013 9.887 -1.723 1.00 0.00 C ATOM 1266 CG ARG A 81 1.356 9.734 -0.378 1.00 0.00 C ATOM 1267 CD ARG A 81 0.827 11.038 0.183 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.138 10.795 1.262 1.00 0.00 N ATOM 1269 CZ ARG A 81 0.122 10.678 2.569 1.00 0.00 C ATOM 1270 NH1 ARG A 81 1.361 10.797 3.040 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -0.878 10.432 3.391 1.00 0.00 N ATOM 0 H ARG A 81 0.031 8.563 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 81 0.711 11.327 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.483 8.943 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.808 10.629 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.534 9.023 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.075 9.310 0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.655 11.638 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.352 11.613 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.115 10.705 0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.134 10.981 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.537 10.704 4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.826 10.335 3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.704 10.339 4.392 1.00 0.00 H new ATOM 1285 N ILE A 82 1.818 9.014 -4.693 1.00 0.00 N ATOM 1286 CA ILE A 82 2.532 8.761 -5.938 1.00 0.00 C ATOM 1287 C ILE A 82 1.630 8.976 -7.159 1.00 0.00 C ATOM 1288 O ILE A 82 1.920 8.488 -8.260 1.00 0.00 O ATOM 1289 CB ILE A 82 3.161 7.337 -5.958 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.088 6.237 -5.909 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.115 7.195 -4.774 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.625 4.833 -6.066 1.00 0.00 C ATOM 0 H ILE A 82 1.380 8.187 -4.287 1.00 0.00 H new ATOM 0 HA ILE A 82 3.345 9.485 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 82 3.706 7.216 -6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.558 6.306 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.358 6.424 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.559 6.200 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.903 7.945 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.565 7.339 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.801 4.121 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.129 4.742 -7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.332 4.622 -5.264 1.00 0.00 H new ATOM 1304 N ASN A 83 0.554 9.745 -6.946 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.414 10.142 -7.980 1.00 0.00 C ATOM 1306 C ASN A 83 -1.273 8.996 -8.425 1.00 0.00 C ATOM 1307 O ASN A 83 -1.872 9.013 -9.492 1.00 0.00 O ATOM 1308 CB ASN A 83 0.258 10.848 -9.166 1.00 0.00 C ATOM 1309 CG ASN A 83 0.940 12.161 -8.795 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.396 12.892 -7.846 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 1.966 12.520 -9.378 1.00 0.00 N flip ATOM 0 H ASN A 83 0.326 10.119 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.078 10.871 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.996 10.177 -9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.492 11.043 -9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.368 11.935 -10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.413 13.402 -9.128 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.389 8.033 -7.571 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.208 6.906 -7.813 1.00 0.00 C ATOM 1320 C ARG A 84 -3.409 6.932 -6.853 1.00 0.00 C ATOM 1321 O ARG A 84 -3.523 6.144 -5.923 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.389 5.611 -7.703 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.206 4.339 -7.861 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.850 4.228 -9.221 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.912 3.754 -10.245 1.00 0.00 N ATOM 1326 CZ ARG A 84 -2.219 2.888 -11.234 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -3.487 2.504 -11.450 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -1.257 2.414 -12.013 1.00 0.00 N ATOM 0 H ARG A 84 -0.907 8.013 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.597 6.940 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.607 5.624 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.891 5.591 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.562 3.475 -7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.979 4.311 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.698 3.545 -9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.243 5.201 -9.515 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.955 4.106 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.237 2.867 -10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.700 1.849 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.291 2.704 -11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.483 1.759 -12.762 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.283 7.866 -7.076 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.463 8.018 -6.261 1.00 0.00 C ATOM 1344 C LYS A 85 -6.515 7.025 -6.755 1.00 0.00 C ATOM 1345 O LYS A 85 -7.425 6.625 -6.029 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.917 9.486 -6.297 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.220 9.798 -5.586 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.483 11.296 -5.568 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.837 11.628 -4.961 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.957 11.150 -5.800 1.00 0.00 N ATOM 0 H LYS A 85 -4.203 8.549 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.273 7.788 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.131 10.099 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.013 9.790 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.043 9.286 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.181 9.419 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.698 11.795 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.436 11.685 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.909 11.179 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.919 12.707 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.842 11.197 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.038 11.750 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.779 10.167 -6.089 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.288 6.586 -7.982 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.050 5.556 -8.675 1.00 0.00 C ATOM 1366 C ASP A 86 -7.169 4.277 -7.838 1.00 0.00 C ATOM 1367 O ASP A 86 -8.263 3.816 -7.545 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.344 5.267 -10.007 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.782 3.998 -10.687 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -7.837 3.991 -11.343 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -6.034 2.994 -10.613 1.00 0.00 O ATOM 0 H ASP A 86 -5.528 6.957 -8.553 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.066 5.910 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.517 6.104 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.270 5.216 -9.830 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.037 3.735 -7.418 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.039 2.510 -6.616 1.00 0.00 C ATOM 1378 C LEU A 87 -6.263 2.827 -5.155 1.00 0.00 C ATOM 1379 O LEU A 87 -6.662 1.967 -4.385 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.733 1.714 -6.768 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.440 1.082 -8.130 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -3.061 0.457 -8.127 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.476 0.031 -8.466 1.00 0.00 C ATOM 0 H LEU A 87 -5.111 4.115 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.858 1.894 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.905 2.378 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.736 0.918 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.479 1.866 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.862 0.010 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.314 1.224 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.012 -0.313 -7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.249 -0.406 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.462 -0.750 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.464 0.491 -8.496 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.023 4.062 -4.793 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.175 4.521 -3.429 1.00 0.00 C ATOM 1397 C TRP A 88 -7.631 4.424 -2.988 1.00 0.00 C ATOM 1398 O TRP A 88 -7.935 3.829 -1.956 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.657 5.947 -3.321 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.843 6.566 -1.973 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.171 6.260 -0.849 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.764 7.606 -1.614 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.589 7.043 0.184 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.567 7.878 -0.255 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.724 8.333 -2.308 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.293 8.846 0.427 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.448 9.294 -1.635 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.227 9.542 -0.279 1.00 0.00 C ATOM 0 H TRP A 88 -5.713 4.787 -5.441 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.592 3.884 -2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.596 5.956 -3.569 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.163 6.563 -4.064 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.407 5.500 -0.776 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.225 7.008 1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.900 8.148 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.124 9.039 1.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.197 9.863 -2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.809 10.302 0.221 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.524 4.950 -3.813 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.960 4.920 -3.535 1.00 0.00 C ATOM 1421 C GLU A 89 -10.504 3.497 -3.565 1.00 0.00 C ATOM 1422 O GLU A 89 -11.537 3.193 -2.971 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.707 5.807 -4.518 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.299 7.258 -4.410 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.023 8.163 -5.351 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.154 8.563 -5.052 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.443 8.556 -6.381 1.00 0.00 O ATOM 0 H GLU A 89 -8.280 5.408 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.117 5.308 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.523 5.455 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.779 5.720 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.472 7.599 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.228 7.339 -4.596 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.798 2.632 -4.251 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.148 1.225 -4.317 1.00 0.00 C ATOM 1436 C ARG A 90 -9.659 0.515 -3.056 1.00 0.00 C ATOM 1437 O ARG A 90 -10.249 -0.467 -2.611 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.542 0.572 -5.567 1.00 0.00 C ATOM 1439 CG ARG A 90 -10.016 1.195 -6.865 1.00 0.00 C ATOM 1440 CD ARG A 90 -9.421 0.511 -8.082 1.00 0.00 C ATOM 1441 NE ARG A 90 -9.915 1.115 -9.321 1.00 0.00 N ATOM 1442 CZ ARG A 90 -9.294 1.092 -10.506 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -8.157 0.419 -10.659 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -9.833 1.718 -11.545 1.00 0.00 N ATOM 0 H ARG A 90 -8.963 2.879 -4.782 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.232 1.135 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.456 0.644 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.792 -0.489 -5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.103 1.141 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.748 2.252 -6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.334 0.582 -8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.672 -0.550 -8.066 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.813 1.596 -9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.752 -0.085 -9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.690 0.406 -11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.718 2.214 -11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.362 1.703 -12.450 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.596 1.046 -2.480 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.008 0.486 -1.290 1.00 0.00 C ATOM 1460 C GLY A 91 -8.733 0.891 -0.032 1.00 0.00 C ATOM 1461 O GLY A 91 -8.722 0.150 0.955 1.00 0.00 O ATOM 0 H GLY A 91 -8.120 1.878 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.006 -0.601 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.967 0.802 -1.221 1.00 0.00 H new