USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.55! C(o=-4.5!,f=-2.6!) USER MOD Single : A 22 THR OG1 : rot 120:sc= -0.348 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 89:sc= 1.15 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.672 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -4.1! C(o=-4.1!,f=-3.7!) USER MOD Single : A 75 MET CE :methyl -176:sc= -4.72! (180deg=-4.95!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.152 12.630 -4.684 1.00 0.00 N ATOM 145 CA ILE A 14 3.975 11.771 -4.707 1.00 0.00 C ATOM 146 C ILE A 14 4.028 10.735 -3.589 1.00 0.00 C ATOM 147 O ILE A 14 5.042 10.062 -3.398 1.00 0.00 O ATOM 148 CB ILE A 14 3.835 11.045 -6.058 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.622 12.057 -7.186 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.685 10.050 -6.008 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.350 12.863 -7.043 1.00 0.00 C ATOM 0 HA ILE A 14 3.110 12.417 -4.559 1.00 0.00 H new ATOM 0 HB ILE A 14 4.756 10.497 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.472 12.738 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.602 11.528 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.599 9.545 -6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.875 9.313 -5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.756 10.578 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.265 13.559 -7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.492 12.191 -7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.376 13.420 -6.106 1.00 0.00 H new ATOM 163 N THR A 15 2.929 10.610 -2.853 1.00 0.00 N ATOM 164 CA THR A 15 2.849 9.656 -1.754 1.00 0.00 C ATOM 165 C THR A 15 1.507 8.933 -1.750 1.00 0.00 C ATOM 166 O THR A 15 0.449 9.565 -1.771 1.00 0.00 O ATOM 167 CB THR A 15 3.050 10.348 -0.393 1.00 0.00 C ATOM 168 OG1 THR A 15 4.341 10.966 -0.344 1.00 0.00 O ATOM 169 CG2 THR A 15 2.916 9.350 0.747 1.00 0.00 C ATOM 0 H THR A 15 2.081 11.158 -2.998 1.00 0.00 H new ATOM 0 HA THR A 15 3.649 8.931 -1.906 1.00 0.00 H new ATOM 0 HB THR A 15 2.278 11.110 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.461 11.405 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.062 9.862 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.922 8.903 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.668 8.569 0.637 1.00 0.00 H new ATOM 177 N LEU A 16 1.555 7.606 -1.723 1.00 0.00 N ATOM 178 CA LEU A 16 0.342 6.796 -1.715 1.00 0.00 C ATOM 179 C LEU A 16 0.093 6.201 -0.333 1.00 0.00 C ATOM 180 O LEU A 16 1.012 5.692 0.310 1.00 0.00 O ATOM 181 CB LEU A 16 0.444 5.678 -2.754 1.00 0.00 C ATOM 182 CG LEU A 16 0.450 6.120 -4.218 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.718 4.935 -5.132 1.00 0.00 C ATOM 184 CD2 LEU A 16 -0.869 6.788 -4.578 1.00 0.00 C ATOM 0 H LEU A 16 2.421 7.068 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.498 7.443 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.356 5.113 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.391 4.994 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 16 1.251 6.846 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.719 5.269 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.688 4.501 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.060 4.185 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.847 7.096 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.687 6.084 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.019 7.663 -3.945 1.00 0.00 H new ATOM 196 N LYS A 17 -1.155 6.265 0.118 1.00 0.00 N ATOM 197 CA LYS A 17 -1.526 5.730 1.422 1.00 0.00 C ATOM 198 C LYS A 17 -2.161 4.349 1.283 1.00 0.00 C ATOM 199 O LYS A 17 -3.212 4.198 0.661 1.00 0.00 O ATOM 200 CB LYS A 17 -2.497 6.679 2.129 1.00 0.00 C ATOM 201 CG LYS A 17 -3.148 6.077 3.362 1.00 0.00 C ATOM 202 CD LYS A 17 -3.548 7.149 4.361 1.00 0.00 C ATOM 203 CE LYS A 17 -3.984 6.542 5.686 1.00 0.00 C ATOM 204 NZ LYS A 17 -5.323 5.898 5.586 1.00 0.00 N ATOM 0 H LYS A 17 -1.927 6.683 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.619 5.636 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.962 7.584 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.275 6.978 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.029 5.506 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.458 5.378 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.708 7.824 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.361 7.747 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.249 5.804 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.011 7.319 6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.585 5.496 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.029 6.608 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.291 5.140 4.875 1.00 0.00 H new ATOM 218 N VAL A 18 -1.515 3.345 1.867 1.00 0.00 N ATOM 219 CA VAL A 18 -2.017 1.977 1.810 1.00 0.00 C ATOM 220 C VAL A 18 -2.542 1.528 3.169 1.00 0.00 C ATOM 221 O VAL A 18 -1.813 1.535 4.161 1.00 0.00 O ATOM 222 CB VAL A 18 -0.925 0.997 1.344 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.547 -0.293 0.832 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.053 1.639 0.275 1.00 0.00 C ATOM 0 H VAL A 18 -0.643 3.453 2.385 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.833 1.969 1.088 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.293 0.753 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.759 -0.973 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.124 -0.761 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.204 -0.071 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.713 0.932 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.670 1.914 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.423 2.532 0.681 1.00 0.00 H new ATOM 234 N ASP A 19 -3.811 1.137 3.206 1.00 0.00 N ATOM 235 CA ASP A 19 -4.435 0.682 4.444 1.00 0.00 C ATOM 236 C ASP A 19 -4.741 -0.812 4.381 1.00 0.00 C ATOM 237 O ASP A 19 -4.543 -1.453 3.350 1.00 0.00 O ATOM 238 CB ASP A 19 -5.719 1.467 4.712 1.00 0.00 C ATOM 239 CG ASP A 19 -6.073 1.513 6.185 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.189 1.855 6.998 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.235 1.208 6.525 1.00 0.00 O ATOM 0 H ASP A 19 -4.428 1.126 2.394 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.735 0.857 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.604 2.484 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.541 1.014 4.158 1.00 0.00 H new ATOM 246 N ASN A 20 -5.224 -1.359 5.492 1.00 0.00 N ATOM 247 CA ASN A 20 -5.556 -2.777 5.563 1.00 0.00 C ATOM 248 C ASN A 20 -4.372 -3.635 5.128 1.00 0.00 C ATOM 249 O ASN A 20 -4.501 -4.493 4.253 1.00 0.00 O ATOM 250 CB ASN A 20 -6.772 -3.083 4.686 1.00 0.00 C ATOM 251 CG ASN A 20 -7.238 -4.519 4.824 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.775 -5.073 3.743 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.116 -5.123 5.889 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.394 -0.842 6.355 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.795 -3.017 6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.588 -2.412 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.524 -2.883 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.697 -4.658 6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.434 -6.089 5.967 1.00 0.00 H new ATOM 260 N LEU A 21 -3.219 -3.399 5.744 1.00 0.00 N ATOM 261 CA LEU A 21 -2.011 -4.151 5.421 1.00 0.00 C ATOM 262 C LEU A 21 -1.642 -5.101 6.556 1.00 0.00 C ATOM 263 O LEU A 21 -0.972 -4.712 7.513 1.00 0.00 O ATOM 264 CB LEU A 21 -0.851 -3.194 5.143 1.00 0.00 C ATOM 265 CG LEU A 21 -0.955 -2.367 3.861 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.055 -1.230 3.876 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.749 -3.250 2.639 1.00 0.00 C ATOM 0 H LEU A 21 -3.095 -2.693 6.470 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.208 -4.742 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.761 -2.510 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.071 -3.774 5.103 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.955 -1.936 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.034 -0.652 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.139 -0.582 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.062 -1.639 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.826 -2.645 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.238 -3.710 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.511 -4.029 2.620 1.00 0.00 H new ATOM 279 N THR A 22 -2.081 -6.351 6.441 1.00 0.00 N ATOM 280 CA THR A 22 -1.795 -7.357 7.456 1.00 0.00 C ATOM 281 C THR A 22 -0.339 -7.291 7.901 1.00 0.00 C ATOM 282 O THR A 22 0.500 -6.693 7.227 1.00 0.00 O ATOM 283 CB THR A 22 -2.100 -8.776 6.941 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.432 -9.746 7.756 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.660 -8.933 5.494 1.00 0.00 C ATOM 0 H THR A 22 -2.636 -6.690 5.655 1.00 0.00 H new ATOM 0 HA THR A 22 -2.441 -7.141 8.307 1.00 0.00 H new ATOM 0 HB THR A 22 -3.177 -8.935 6.995 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.094 -10.342 8.164 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.886 -9.943 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.191 -8.213 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.587 -8.756 5.419 1.00 0.00 H new ATOM 293 N TYR A 23 -0.045 -7.911 9.039 1.00 0.00 N ATOM 294 CA TYR A 23 1.311 -7.921 9.575 1.00 0.00 C ATOM 295 C TYR A 23 2.300 -8.458 8.545 1.00 0.00 C ATOM 296 O TYR A 23 3.277 -7.793 8.200 1.00 0.00 O ATOM 297 CB TYR A 23 1.373 -8.768 10.847 1.00 0.00 C ATOM 298 CG TYR A 23 2.781 -9.114 11.276 1.00 0.00 C ATOM 299 CD1 TYR A 23 3.421 -10.243 10.781 1.00 0.00 C ATOM 300 CD2 TYR A 23 3.471 -8.312 12.177 1.00 0.00 C ATOM 301 CE1 TYR A 23 4.707 -10.564 11.171 1.00 0.00 C ATOM 302 CE2 TYR A 23 4.757 -8.624 12.572 1.00 0.00 C ATOM 303 CZ TYR A 23 5.371 -9.751 12.066 1.00 0.00 C ATOM 304 OH TYR A 23 6.653 -10.066 12.456 1.00 0.00 O ATOM 0 H TYR A 23 -0.727 -8.413 9.608 1.00 0.00 H new ATOM 0 HA TYR A 23 1.586 -6.894 9.816 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.877 -8.231 11.656 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.814 -9.690 10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.904 -10.881 10.079 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.993 -7.429 12.575 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.190 -11.446 10.777 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.279 -7.989 13.273 1.00 0.00 H new ATOM 0 HH TYR A 23 6.978 -9.392 13.089 1.00 0.00 H new ATOM 314 N ARG A 24 2.038 -9.666 8.057 1.00 0.00 N ATOM 315 CA ARG A 24 2.904 -10.295 7.066 1.00 0.00 C ATOM 316 C ARG A 24 3.419 -9.266 6.064 1.00 0.00 C ATOM 317 O ARG A 24 4.492 -9.433 5.482 1.00 0.00 O ATOM 318 CB ARG A 24 2.152 -11.406 6.332 1.00 0.00 C ATOM 319 CG ARG A 24 2.164 -12.737 7.066 1.00 0.00 C ATOM 320 CD ARG A 24 0.996 -12.849 8.034 1.00 0.00 C ATOM 321 NE ARG A 24 -0.291 -12.714 7.357 1.00 0.00 N ATOM 322 CZ ARG A 24 -0.782 -13.624 6.524 1.00 0.00 C ATOM 323 NH1 ARG A 24 -0.098 -14.730 6.266 1.00 0.00 N ATOM 324 NH2 ARG A 24 -1.961 -13.430 5.947 1.00 0.00 N ATOM 0 H ARG A 24 1.233 -10.229 8.332 1.00 0.00 H new ATOM 0 HA ARG A 24 3.758 -10.728 7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.119 -11.094 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.594 -11.541 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.119 -13.552 6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.102 -12.845 7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.038 -13.812 8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.085 -12.079 8.800 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.843 -11.875 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.808 -14.884 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.478 -15.427 5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.491 -12.581 6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.337 -14.130 5.307 1.00 0.00 H new ATOM 338 N THR A 25 2.648 -8.202 5.866 1.00 0.00 N ATOM 339 CA THR A 25 3.024 -7.147 4.934 1.00 0.00 C ATOM 340 C THR A 25 4.391 -6.567 5.282 1.00 0.00 C ATOM 341 O THR A 25 4.630 -6.157 6.418 1.00 0.00 O ATOM 342 CB THR A 25 1.985 -6.010 4.921 1.00 0.00 C ATOM 343 OG1 THR A 25 0.676 -6.546 4.699 1.00 0.00 O ATOM 344 CG2 THR A 25 2.311 -4.990 3.841 1.00 0.00 C ATOM 0 H THR A 25 1.758 -8.048 6.340 1.00 0.00 H new ATOM 0 HA THR A 25 3.066 -7.601 3.944 1.00 0.00 H new ATOM 0 HB THR A 25 2.014 -5.511 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.267 -6.778 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.563 -4.197 3.852 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.296 -4.563 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.308 -5.478 2.867 1.00 0.00 H new ATOM 352 N SER A 26 5.283 -6.536 4.298 1.00 0.00 N ATOM 353 CA SER A 26 6.627 -6.008 4.501 1.00 0.00 C ATOM 354 C SER A 26 7.004 -5.036 3.387 1.00 0.00 C ATOM 355 O SER A 26 6.394 -5.010 2.318 1.00 0.00 O ATOM 356 CB SER A 26 7.643 -7.151 4.561 1.00 0.00 C ATOM 357 OG SER A 26 7.814 -7.612 5.891 1.00 0.00 O ATOM 0 H SER A 26 5.100 -6.870 3.352 1.00 0.00 H new ATOM 0 HA SER A 26 6.639 -5.469 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.308 -7.973 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.600 -6.812 4.164 1.00 0.00 H new ATOM 0 HG SER A 26 8.466 -8.343 5.902 1.00 0.00 H new ATOM 363 N PRO A 27 8.035 -4.216 3.642 1.00 0.00 N ATOM 364 CA PRO A 27 8.518 -3.227 2.674 1.00 0.00 C ATOM 365 C PRO A 27 8.633 -3.802 1.267 1.00 0.00 C ATOM 366 O PRO A 27 8.274 -3.148 0.287 1.00 0.00 O ATOM 367 CB PRO A 27 9.900 -2.850 3.212 1.00 0.00 C ATOM 368 CG PRO A 27 9.810 -3.078 4.682 1.00 0.00 C ATOM 369 CD PRO A 27 8.808 -4.192 4.895 1.00 0.00 C ATOM 0 HA PRO A 27 7.837 -2.381 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.681 -3.464 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.143 -1.812 2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.783 -3.351 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.492 -2.170 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.303 -5.146 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.168 -3.995 5.755 1.00 0.00 H new ATOM 377 N ASP A 28 9.135 -5.029 1.173 1.00 0.00 N ATOM 378 CA ASP A 28 9.296 -5.692 -0.116 1.00 0.00 C ATOM 379 C ASP A 28 7.954 -5.829 -0.828 1.00 0.00 C ATOM 380 O ASP A 28 7.775 -5.328 -1.938 1.00 0.00 O ATOM 381 CB ASP A 28 9.930 -7.071 0.073 1.00 0.00 C ATOM 382 CG ASP A 28 10.521 -7.617 -1.212 1.00 0.00 C ATOM 383 OD1 ASP A 28 9.746 -8.100 -2.063 1.00 0.00 O ATOM 384 OD2 ASP A 28 11.760 -7.562 -1.366 1.00 0.00 O ATOM 0 H ASP A 28 9.437 -5.584 1.974 1.00 0.00 H new ATOM 0 HA ASP A 28 9.953 -5.079 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.711 -7.008 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.178 -7.765 0.447 1.00 0.00 H new ATOM 389 N SER A 29 7.014 -6.512 -0.182 1.00 0.00 N ATOM 390 CA SER A 29 5.689 -6.720 -0.756 1.00 0.00 C ATOM 391 C SER A 29 5.025 -5.386 -1.085 1.00 0.00 C ATOM 392 O SER A 29 4.687 -5.115 -2.239 1.00 0.00 O ATOM 393 CB SER A 29 4.810 -7.515 0.211 1.00 0.00 C ATOM 394 OG SER A 29 4.142 -6.655 1.118 1.00 0.00 O ATOM 0 H SER A 29 7.145 -6.931 0.739 1.00 0.00 H new ATOM 0 HA SER A 29 5.805 -7.287 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.078 -8.095 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.424 -8.226 0.764 1.00 0.00 H new ATOM 0 HG SER A 29 3.586 -7.187 1.724 1.00 0.00 H new ATOM 400 N LEU A 30 4.841 -4.556 -0.065 1.00 0.00 N ATOM 401 CA LEU A 30 4.217 -3.250 -0.244 1.00 0.00 C ATOM 402 C LEU A 30 4.759 -2.554 -1.488 1.00 0.00 C ATOM 403 O LEU A 30 4.018 -1.885 -2.209 1.00 0.00 O ATOM 404 CB LEU A 30 4.457 -2.375 0.988 1.00 0.00 C ATOM 405 CG LEU A 30 3.763 -1.012 0.989 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.271 -1.173 0.743 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.013 -0.287 2.303 1.00 0.00 C ATOM 0 H LEU A 30 5.115 -4.764 0.895 1.00 0.00 H new ATOM 0 HA LEU A 30 3.145 -3.401 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.131 -2.927 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.530 -2.214 1.091 1.00 0.00 H new ATOM 0 HG LEU A 30 4.181 -0.412 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.794 -0.193 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.111 -1.650 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.837 -1.791 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.512 0.681 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.622 -0.883 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.084 -0.138 2.438 1.00 0.00 H new ATOM 419 N ARG A 31 6.054 -2.718 -1.735 1.00 0.00 N ATOM 420 CA ARG A 31 6.695 -2.106 -2.893 1.00 0.00 C ATOM 421 C ARG A 31 6.291 -2.821 -4.179 1.00 0.00 C ATOM 422 O ARG A 31 5.798 -2.198 -5.119 1.00 0.00 O ATOM 423 CB ARG A 31 8.216 -2.137 -2.737 1.00 0.00 C ATOM 424 CG ARG A 31 8.952 -1.299 -3.770 1.00 0.00 C ATOM 425 CD ARG A 31 10.325 -1.875 -4.078 1.00 0.00 C ATOM 426 NE ARG A 31 11.340 -1.402 -3.141 1.00 0.00 N ATOM 427 CZ ARG A 31 11.818 -0.162 -3.138 1.00 0.00 C ATOM 428 NH1 ARG A 31 11.375 0.724 -4.019 1.00 0.00 N ATOM 429 NH2 ARG A 31 12.741 0.193 -2.253 1.00 0.00 N ATOM 0 H ARG A 31 6.680 -3.270 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 31 6.364 -1.069 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.478 -1.782 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.559 -3.169 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.363 -1.249 -4.686 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.058 -0.278 -3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.278 -2.963 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.613 -1.602 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 31 11.702 -2.060 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.666 0.454 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.743 1.675 -4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.084 -0.486 -1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.107 1.145 -2.252 1.00 0.00 H new ATOM 443 N ARG A 32 6.503 -4.133 -4.212 1.00 0.00 N ATOM 444 CA ARG A 32 6.162 -4.932 -5.383 1.00 0.00 C ATOM 445 C ARG A 32 4.769 -4.581 -5.895 1.00 0.00 C ATOM 446 O ARG A 32 4.477 -4.727 -7.082 1.00 0.00 O ATOM 447 CB ARG A 32 6.232 -6.423 -5.046 1.00 0.00 C ATOM 448 CG ARG A 32 6.339 -7.319 -6.269 1.00 0.00 C ATOM 449 CD ARG A 32 6.010 -8.765 -5.932 1.00 0.00 C ATOM 450 NE ARG A 32 7.182 -9.498 -5.461 1.00 0.00 N ATOM 451 CZ ARG A 32 8.236 -9.765 -6.224 1.00 0.00 C ATOM 452 NH1 ARG A 32 8.265 -9.360 -7.486 1.00 0.00 N ATOM 453 NH2 ARG A 32 9.265 -10.437 -5.724 1.00 0.00 N ATOM 0 H ARG A 32 6.909 -4.665 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 32 6.885 -4.708 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.091 -6.601 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.344 -6.701 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.660 -6.962 -7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.348 -7.260 -6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.234 -8.791 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.604 -9.259 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 32 7.192 -9.822 -4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.477 -8.842 -7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.076 -9.567 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.247 -10.749 -4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.074 -10.642 -6.311 1.00 0.00 H new ATOM 467 N VAL A 33 3.911 -4.116 -4.991 1.00 0.00 N ATOM 468 CA VAL A 33 2.549 -3.743 -5.351 1.00 0.00 C ATOM 469 C VAL A 33 2.541 -2.655 -6.420 1.00 0.00 C ATOM 470 O VAL A 33 1.904 -2.799 -7.463 1.00 0.00 O ATOM 471 CB VAL A 33 1.760 -3.247 -4.124 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.370 -2.785 -4.534 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.678 -4.339 -3.068 1.00 0.00 C ATOM 0 H VAL A 33 4.136 -3.989 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 33 2.069 -4.639 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 33 2.287 -2.395 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.172 -2.438 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.455 -1.970 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.170 -3.615 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.118 -3.972 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.174 -5.211 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.684 -4.617 -2.754 1.00 0.00 H new ATOM 483 N PHE A 34 3.254 -1.566 -6.153 1.00 0.00 N ATOM 484 CA PHE A 34 3.329 -0.452 -7.091 1.00 0.00 C ATOM 485 C PHE A 34 4.628 -0.502 -7.890 1.00 0.00 C ATOM 486 O PHE A 34 5.141 0.529 -8.325 1.00 0.00 O ATOM 487 CB PHE A 34 3.227 0.879 -6.345 1.00 0.00 C ATOM 488 CG PHE A 34 2.153 0.897 -5.294 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.852 0.542 -5.610 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.446 1.268 -3.992 1.00 0.00 C ATOM 491 CE1 PHE A 34 -0.139 0.557 -4.646 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.460 1.284 -3.024 1.00 0.00 C ATOM 493 CZ PHE A 34 0.166 0.929 -3.351 1.00 0.00 C ATOM 0 H PHE A 34 3.788 -1.431 -5.295 1.00 0.00 H new ATOM 0 HA PHE A 34 2.492 -0.536 -7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.186 1.098 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.034 1.675 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.609 0.250 -6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.456 1.548 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.150 0.278 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.701 1.574 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.606 0.942 -2.596 1.00 0.00 H new ATOM 503 N GLU A 35 5.154 -1.708 -8.079 1.00 0.00 N ATOM 504 CA GLU A 35 6.394 -1.891 -8.825 1.00 0.00 C ATOM 505 C GLU A 35 6.112 -2.076 -10.313 1.00 0.00 C ATOM 506 O GLU A 35 6.719 -1.418 -11.159 1.00 0.00 O ATOM 507 CB GLU A 35 7.165 -3.099 -8.287 1.00 0.00 C ATOM 508 CG GLU A 35 8.136 -2.753 -7.171 1.00 0.00 C ATOM 509 CD GLU A 35 9.319 -3.700 -7.113 1.00 0.00 C ATOM 510 OE1 GLU A 35 10.224 -3.573 -7.964 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.339 -4.569 -6.216 1.00 0.00 O ATOM 0 H GLU A 35 4.742 -2.572 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 35 7.001 -0.995 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.454 -3.840 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.716 -3.562 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.497 -1.734 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.610 -2.776 -6.217 1.00 0.00 H new ATOM 518 N LYS A 36 5.187 -2.977 -10.626 1.00 0.00 N ATOM 519 CA LYS A 36 4.822 -3.249 -12.012 1.00 0.00 C ATOM 520 C LYS A 36 4.193 -2.021 -12.660 1.00 0.00 C ATOM 521 O LYS A 36 3.934 -2.006 -13.864 1.00 0.00 O ATOM 522 CB LYS A 36 3.850 -4.430 -12.081 1.00 0.00 C ATOM 523 CG LYS A 36 4.476 -5.757 -11.688 1.00 0.00 C ATOM 524 CD LYS A 36 3.450 -6.699 -11.081 1.00 0.00 C ATOM 525 CE LYS A 36 2.197 -6.786 -11.939 1.00 0.00 C ATOM 526 NZ LYS A 36 1.199 -7.734 -11.370 1.00 0.00 N ATOM 0 H LYS A 36 4.676 -3.531 -9.939 1.00 0.00 H new ATOM 0 HA LYS A 36 5.731 -3.501 -12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.002 -4.230 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.459 -4.509 -13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.925 -6.223 -12.565 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.280 -5.583 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.886 -7.692 -10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.185 -6.355 -10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.748 -5.797 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.468 -7.105 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.360 -7.765 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.618 -8.684 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.921 -7.416 -10.420 1.00 0.00 H new ATOM 540 N TYR A 37 3.951 -0.991 -11.856 1.00 0.00 N ATOM 541 CA TYR A 37 3.351 0.242 -12.353 1.00 0.00 C ATOM 542 C TYR A 37 4.359 1.387 -12.324 1.00 0.00 C ATOM 543 O TYR A 37 4.626 2.021 -13.344 1.00 0.00 O ATOM 544 CB TYR A 37 2.122 0.607 -11.519 1.00 0.00 C ATOM 545 CG TYR A 37 1.061 -0.470 -11.500 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.271 -0.714 -12.616 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.850 -1.244 -10.366 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.700 -1.697 -12.603 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.117 -2.230 -10.344 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.890 -2.452 -11.464 1.00 0.00 C ATOM 551 OH TYR A 37 -1.855 -3.433 -11.447 1.00 0.00 O ATOM 0 H TYR A 37 4.161 -0.985 -10.858 1.00 0.00 H new ATOM 0 HA TYR A 37 3.045 0.078 -13.386 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.436 0.814 -10.496 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.687 1.526 -11.911 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.418 -0.125 -13.509 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.452 -1.072 -9.486 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.306 -1.873 -13.479 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.267 -2.824 -9.454 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.859 -3.872 -10.571 1.00 0.00 H new ATOM 561 N GLY A 38 4.916 1.647 -11.144 1.00 0.00 N ATOM 562 CA GLY A 38 5.888 2.715 -11.003 1.00 0.00 C ATOM 563 C GLY A 38 7.092 2.298 -10.182 1.00 0.00 C ATOM 564 O GLY A 38 7.129 1.194 -9.640 1.00 0.00 O ATOM 0 H GLY A 38 4.711 1.137 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.219 3.034 -11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.412 3.576 -10.533 1.00 0.00 H new ATOM 568 N ARG A 39 8.079 3.183 -10.091 1.00 0.00 N ATOM 569 CA ARG A 39 9.292 2.900 -9.333 1.00 0.00 C ATOM 570 C ARG A 39 9.200 3.479 -7.924 1.00 0.00 C ATOM 571 O ARG A 39 9.609 4.614 -7.680 1.00 0.00 O ATOM 572 CB ARG A 39 10.514 3.473 -10.052 1.00 0.00 C ATOM 573 CG ARG A 39 10.989 2.621 -11.218 1.00 0.00 C ATOM 574 CD ARG A 39 12.483 2.781 -11.453 1.00 0.00 C ATOM 575 NE ARG A 39 12.980 1.856 -12.468 1.00 0.00 N ATOM 576 CZ ARG A 39 14.209 1.905 -12.968 1.00 0.00 C ATOM 577 NH1 ARG A 39 15.063 2.828 -12.549 1.00 0.00 N ATOM 578 NH2 ARG A 39 14.587 1.028 -13.890 1.00 0.00 N ATOM 0 H ARG A 39 8.063 4.102 -10.533 1.00 0.00 H new ATOM 0 HA ARG A 39 9.398 1.818 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.275 4.472 -10.416 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.329 3.581 -9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.761 1.573 -11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.446 2.902 -12.120 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.694 3.805 -11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.017 2.614 -10.518 1.00 0.00 H new ATOM 0 HE ARG A 39 12.348 1.133 -12.812 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.777 3.503 -11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.006 2.863 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.933 0.316 -14.215 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.531 1.066 -14.274 1.00 0.00 H new ATOM 592 N VAL A 40 8.659 2.691 -7.000 1.00 0.00 N ATOM 593 CA VAL A 40 8.513 3.124 -5.615 1.00 0.00 C ATOM 594 C VAL A 40 9.776 3.821 -5.122 1.00 0.00 C ATOM 595 O VAL A 40 10.789 3.177 -4.853 1.00 0.00 O ATOM 596 CB VAL A 40 8.199 1.937 -4.686 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.344 2.347 -3.228 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.803 1.400 -4.961 1.00 0.00 C ATOM 0 H VAL A 40 8.314 1.749 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 40 7.680 3.826 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 40 8.916 1.141 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.118 1.495 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.365 2.680 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.652 3.160 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.598 0.561 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.070 2.188 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.739 1.065 -5.996 1.00 0.00 H new ATOM 608 N GLY A 41 9.709 5.144 -5.005 1.00 0.00 N ATOM 609 CA GLY A 41 10.853 5.908 -4.544 1.00 0.00 C ATOM 610 C GLY A 41 11.398 5.396 -3.225 1.00 0.00 C ATOM 611 O GLY A 41 12.564 5.013 -3.135 1.00 0.00 O ATOM 0 H GLY A 41 8.882 5.700 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.639 5.870 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.567 6.954 -4.434 1.00 0.00 H new ATOM 615 N ASP A 42 10.553 5.392 -2.200 1.00 0.00 N ATOM 616 CA ASP A 42 10.957 4.924 -0.879 1.00 0.00 C ATOM 617 C ASP A 42 9.755 4.402 -0.097 1.00 0.00 C ATOM 618 O ASP A 42 8.740 5.087 0.032 1.00 0.00 O ATOM 619 CB ASP A 42 11.636 6.052 -0.101 1.00 0.00 C ATOM 620 CG ASP A 42 12.437 6.974 -1.000 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.832 7.604 -1.892 1.00 0.00 O ATOM 622 OD2 ASP A 42 13.668 7.065 -0.811 1.00 0.00 O ATOM 0 H ASP A 42 9.585 5.707 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 42 11.665 4.106 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.879 6.632 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.295 5.623 0.654 1.00 0.00 H new ATOM 627 N VAL A 43 9.877 3.185 0.422 1.00 0.00 N ATOM 628 CA VAL A 43 8.801 2.571 1.191 1.00 0.00 C ATOM 629 C VAL A 43 8.962 2.851 2.681 1.00 0.00 C ATOM 630 O VAL A 43 10.064 2.767 3.224 1.00 0.00 O ATOM 631 CB VAL A 43 8.752 1.047 0.970 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.389 0.495 1.357 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.082 0.709 -0.476 1.00 0.00 C ATOM 0 H VAL A 43 10.710 2.605 0.324 1.00 0.00 H new ATOM 0 HA VAL A 43 7.869 3.013 0.839 1.00 0.00 H new ATOM 0 HB VAL A 43 9.501 0.580 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.373 -0.583 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.196 0.706 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.619 0.966 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.043 -0.371 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.357 1.186 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.083 1.070 -0.715 1.00 0.00 H new ATOM 643 N TYR A 44 7.856 3.185 3.337 1.00 0.00 N ATOM 644 CA TYR A 44 7.874 3.480 4.765 1.00 0.00 C ATOM 645 C TYR A 44 6.704 2.805 5.475 1.00 0.00 C ATOM 646 O TYR A 44 5.550 2.956 5.074 1.00 0.00 O ATOM 647 CB TYR A 44 7.821 4.992 4.995 1.00 0.00 C ATOM 648 CG TYR A 44 7.873 5.384 6.454 1.00 0.00 C ATOM 649 CD1 TYR A 44 6.717 5.438 7.222 1.00 0.00 C ATOM 650 CD2 TYR A 44 9.081 5.700 7.065 1.00 0.00 C ATOM 651 CE1 TYR A 44 6.760 5.797 8.555 1.00 0.00 C ATOM 652 CE2 TYR A 44 9.134 6.059 8.399 1.00 0.00 C ATOM 653 CZ TYR A 44 7.971 6.106 9.139 1.00 0.00 C ATOM 654 OH TYR A 44 8.019 6.462 10.467 1.00 0.00 O ATOM 0 H TYR A 44 6.936 3.258 2.903 1.00 0.00 H new ATOM 0 HA TYR A 44 8.803 3.088 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.655 5.460 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.906 5.386 4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.767 5.195 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.993 5.664 6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.851 5.836 9.137 1.00 0.00 H new ATOM 0 HE2 TYR A 44 10.081 6.301 8.859 1.00 0.00 H new ATOM 0 HH TYR A 44 8.947 6.647 10.723 1.00 0.00 H new ATOM 664 N ILE A 45 7.013 2.062 6.532 1.00 0.00 N ATOM 665 CA ILE A 45 5.989 1.365 7.300 1.00 0.00 C ATOM 666 C ILE A 45 6.068 1.728 8.779 1.00 0.00 C ATOM 667 O ILE A 45 6.911 1.225 9.523 1.00 0.00 O ATOM 668 CB ILE A 45 6.115 -0.163 7.151 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.924 -0.571 5.689 1.00 0.00 C ATOM 670 CG2 ILE A 45 5.101 -0.868 8.040 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.381 -1.982 5.391 1.00 0.00 C ATOM 0 H ILE A 45 7.964 1.927 6.876 1.00 0.00 H new ATOM 0 HA ILE A 45 5.026 1.683 6.901 1.00 0.00 H new ATOM 0 HB ILE A 45 7.115 -0.463 7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.870 -0.477 5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.473 0.122 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.203 -1.947 7.923 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.279 -0.597 9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.094 -0.566 7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.216 -2.203 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.443 -2.077 5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.814 -2.685 6.002 1.00 0.00 H new ATOM 683 N PRO A 46 5.169 2.621 9.219 1.00 0.00 N ATOM 684 CA PRO A 46 5.115 3.069 10.613 1.00 0.00 C ATOM 685 C PRO A 46 5.222 1.911 11.600 1.00 0.00 C ATOM 686 O PRO A 46 5.212 0.745 11.205 1.00 0.00 O ATOM 687 CB PRO A 46 3.742 3.736 10.719 1.00 0.00 C ATOM 688 CG PRO A 46 3.446 4.214 9.339 1.00 0.00 C ATOM 689 CD PRO A 46 4.135 3.261 8.388 1.00 0.00 C ATOM 0 HA PRO A 46 5.946 3.730 10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.985 3.032 11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.757 4.562 11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.371 4.231 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.809 5.232 9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.438 2.528 7.982 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.573 3.788 7.541 1.00 0.00 H new ATOM 851 N GLY A 56 -0.678 -0.230 10.828 1.00 0.00 N ATOM 852 CA GLY A 56 -1.751 -0.580 9.916 1.00 0.00 C ATOM 853 C GLY A 56 -1.567 0.032 8.542 1.00 0.00 C ATOM 854 O GLY A 56 -1.375 -0.682 7.557 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.805 -1.665 9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.701 -0.248 10.334 1.00 0.00 H new ATOM 858 N PHE A 57 -1.627 1.358 8.473 1.00 0.00 N ATOM 859 CA PHE A 57 -1.468 2.066 7.209 1.00 0.00 C ATOM 860 C PHE A 57 0.004 2.150 6.814 1.00 0.00 C ATOM 861 O PHE A 57 0.892 1.996 7.652 1.00 0.00 O ATOM 862 CB PHE A 57 -2.062 3.472 7.309 1.00 0.00 C ATOM 863 CG PHE A 57 -1.662 4.204 8.558 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.432 4.837 8.643 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.516 4.259 9.648 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.062 5.511 9.791 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.152 4.932 10.798 1.00 0.00 C ATOM 868 CZ PHE A 57 -0.922 5.558 10.871 1.00 0.00 C ATOM 0 H PHE A 57 -1.785 1.964 9.278 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.001 1.508 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.749 4.053 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.149 3.402 7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.245 4.803 7.802 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.478 3.770 9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.899 6.001 9.844 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.828 4.969 11.639 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.634 6.083 11.770 1.00 0.00 H new ATOM 878 N ALA A 58 0.253 2.395 5.532 1.00 0.00 N ATOM 879 CA ALA A 58 1.616 2.501 5.025 1.00 0.00 C ATOM 880 C ALA A 58 1.765 3.703 4.099 1.00 0.00 C ATOM 881 O ALA A 58 0.776 4.320 3.701 1.00 0.00 O ATOM 882 CB ALA A 58 2.011 1.222 4.301 1.00 0.00 C ATOM 0 H ALA A 58 -0.471 2.524 4.825 1.00 0.00 H new ATOM 0 HA ALA A 58 2.283 2.645 5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.031 1.315 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.953 0.380 4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.333 1.053 3.465 1.00 0.00 H new ATOM 888 N PHE A 59 3.007 4.031 3.759 1.00 0.00 N ATOM 889 CA PHE A 59 3.286 5.161 2.880 1.00 0.00 C ATOM 890 C PHE A 59 4.316 4.784 1.819 1.00 0.00 C ATOM 891 O PHE A 59 5.372 4.235 2.132 1.00 0.00 O ATOM 892 CB PHE A 59 3.788 6.356 3.694 1.00 0.00 C ATOM 893 CG PHE A 59 2.741 6.956 4.587 1.00 0.00 C ATOM 894 CD1 PHE A 59 2.525 6.452 5.860 1.00 0.00 C ATOM 895 CD2 PHE A 59 1.971 8.024 4.154 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.562 7.002 6.684 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.007 8.578 4.975 1.00 0.00 C ATOM 898 CZ PHE A 59 0.801 8.066 6.241 1.00 0.00 C ATOM 0 H PHE A 59 3.836 3.531 4.079 1.00 0.00 H new ATOM 0 HA PHE A 59 2.358 5.436 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.635 6.040 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.154 7.123 3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.116 5.620 6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.126 8.428 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.404 6.600 7.674 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.415 9.411 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.047 8.497 6.883 1.00 0.00 H new ATOM 908 N VAL A 60 4.000 5.084 0.563 1.00 0.00 N ATOM 909 CA VAL A 60 4.897 4.777 -0.544 1.00 0.00 C ATOM 910 C VAL A 60 5.167 6.016 -1.392 1.00 0.00 C ATOM 911 O VAL A 60 4.239 6.704 -1.816 1.00 0.00 O ATOM 912 CB VAL A 60 4.320 3.669 -1.444 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.283 3.345 -2.577 1.00 0.00 C ATOM 914 CG2 VAL A 60 4.010 2.425 -0.625 1.00 0.00 C ATOM 0 H VAL A 60 3.130 5.539 0.287 1.00 0.00 H new ATOM 0 HA VAL A 60 5.832 4.428 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 60 3.389 4.029 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.858 2.560 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.450 4.238 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.232 3.005 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.603 1.652 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.924 2.060 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.280 2.670 0.147 1.00 0.00 H new ATOM 924 N ARG A 61 6.444 6.293 -1.635 1.00 0.00 N ATOM 925 CA ARG A 61 6.836 7.450 -2.431 1.00 0.00 C ATOM 926 C ARG A 61 7.038 7.060 -3.893 1.00 0.00 C ATOM 927 O ARG A 61 7.442 5.937 -4.196 1.00 0.00 O ATOM 928 CB ARG A 61 8.120 8.067 -1.874 1.00 0.00 C ATOM 929 CG ARG A 61 7.900 8.917 -0.634 1.00 0.00 C ATOM 930 CD ARG A 61 9.130 8.930 0.259 1.00 0.00 C ATOM 931 NE ARG A 61 9.033 9.939 1.311 1.00 0.00 N ATOM 932 CZ ARG A 61 9.350 11.217 1.135 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.782 11.640 -0.044 1.00 0.00 N ATOM 934 NH2 ARG A 61 9.234 12.074 2.142 1.00 0.00 N ATOM 0 H ARG A 61 7.224 5.732 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 61 6.034 8.186 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.823 7.269 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.583 8.680 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.653 9.937 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.047 8.532 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.260 7.947 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.016 9.122 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 61 8.704 9.646 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.872 10.984 -0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.025 12.622 -0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.902 11.751 3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.477 13.055 2.007 1.00 0.00 H new ATOM 948 N PHE A 62 6.755 7.995 -4.793 1.00 0.00 N ATOM 949 CA PHE A 62 6.904 7.749 -6.223 1.00 0.00 C ATOM 950 C PHE A 62 7.693 8.872 -6.889 1.00 0.00 C ATOM 951 O PHE A 62 8.013 9.880 -6.258 1.00 0.00 O ATOM 952 CB PHE A 62 5.531 7.613 -6.885 1.00 0.00 C ATOM 953 CG PHE A 62 4.784 6.378 -6.469 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.401 6.195 -5.150 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.466 5.400 -7.398 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.715 5.059 -4.765 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.779 4.262 -7.019 1.00 0.00 C ATOM 958 CZ PHE A 62 3.402 4.092 -5.701 1.00 0.00 C ATOM 0 H PHE A 62 6.421 8.930 -4.558 1.00 0.00 H new ATOM 0 HA PHE A 62 7.455 6.817 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.931 8.490 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.658 7.604 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.641 6.949 -4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.758 5.528 -8.430 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.424 4.927 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.537 3.507 -7.752 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.863 3.205 -5.403 1.00 0.00 H new ATOM 968 N HIS A 63 8.005 8.691 -8.168 1.00 0.00 N ATOM 969 CA HIS A 63 8.758 9.688 -8.921 1.00 0.00 C ATOM 970 C HIS A 63 7.833 10.497 -9.826 1.00 0.00 C ATOM 971 O HIS A 63 7.911 11.725 -9.871 1.00 0.00 O ATOM 972 CB HIS A 63 9.846 9.014 -9.756 1.00 0.00 C ATOM 973 CG HIS A 63 11.054 8.621 -8.962 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.978 9.532 -8.497 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.484 7.406 -8.548 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.927 8.895 -7.834 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.650 7.604 -7.850 1.00 0.00 N ATOM 0 H HIS A 63 7.748 7.863 -8.705 1.00 0.00 H new ATOM 0 HA HIS A 63 9.227 10.367 -8.209 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.430 8.126 -10.232 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.151 9.690 -10.555 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.000 6.458 -8.732 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.783 9.352 -7.360 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.211 6.872 -7.414 1.00 0.00 H new ATOM 985 N ASP A 64 6.959 9.801 -10.544 1.00 0.00 N ATOM 986 CA ASP A 64 6.019 10.454 -11.448 1.00 0.00 C ATOM 987 C ASP A 64 4.614 10.463 -10.856 1.00 0.00 C ATOM 988 O ASP A 64 4.308 9.694 -9.945 1.00 0.00 O ATOM 989 CB ASP A 64 6.010 9.748 -12.805 1.00 0.00 C ATOM 990 CG ASP A 64 5.297 10.556 -13.872 1.00 0.00 C ATOM 991 OD1 ASP A 64 5.654 11.737 -14.059 1.00 0.00 O ATOM 992 OD2 ASP A 64 4.381 10.006 -14.519 1.00 0.00 O ATOM 0 H ASP A 64 6.882 8.784 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 64 6.342 11.486 -11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.036 9.560 -13.121 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.525 8.777 -12.703 1.00 0.00 H new ATOM 997 N ARG A 65 3.763 11.340 -11.379 1.00 0.00 N ATOM 998 CA ARG A 65 2.390 11.451 -10.901 1.00 0.00 C ATOM 999 C ARG A 65 1.507 10.375 -11.526 1.00 0.00 C ATOM 1000 O ARG A 65 0.969 9.516 -10.827 1.00 0.00 O ATOM 1001 CB ARG A 65 1.826 12.837 -11.221 1.00 0.00 C ATOM 1002 CG ARG A 65 0.405 13.046 -10.725 1.00 0.00 C ATOM 1003 CD ARG A 65 -0.075 14.464 -10.990 1.00 0.00 C ATOM 1004 NE ARG A 65 0.806 15.462 -10.388 1.00 0.00 N ATOM 1005 CZ ARG A 65 0.558 16.767 -10.404 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.539 17.229 -10.989 1.00 0.00 N ATOM 1007 NH2 ARG A 65 1.407 17.612 -9.835 1.00 0.00 N ATOM 0 H ARG A 65 4.000 11.984 -12.134 1.00 0.00 H new ATOM 0 HA ARG A 65 2.396 11.309 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.472 13.594 -10.776 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.851 12.990 -12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.261 12.337 -11.217 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.357 12.839 -9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.132 14.632 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.084 14.585 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 65 1.658 15.139 -9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.194 16.582 -11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.728 18.231 -11.000 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.252 17.260 -9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.215 18.614 -9.848 1.00 0.00 H new ATOM 1021 N ARG A 66 1.364 10.427 -12.846 1.00 0.00 N ATOM 1022 CA ARG A 66 0.545 9.458 -13.565 1.00 0.00 C ATOM 1023 C ARG A 66 0.887 8.034 -13.137 1.00 0.00 C ATOM 1024 O ARG A 66 0.102 7.108 -13.343 1.00 0.00 O ATOM 1025 CB ARG A 66 0.745 9.610 -15.074 1.00 0.00 C ATOM 1026 CG ARG A 66 0.219 8.433 -15.880 1.00 0.00 C ATOM 1027 CD ARG A 66 -1.301 8.395 -15.883 1.00 0.00 C ATOM 1028 NE ARG A 66 -1.824 7.543 -16.948 1.00 0.00 N ATOM 1029 CZ ARG A 66 -1.892 7.916 -18.221 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -1.472 9.119 -18.587 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -2.382 7.084 -19.132 1.00 0.00 N ATOM 0 H ARG A 66 1.805 11.130 -13.440 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.500 9.651 -13.322 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.247 10.520 -15.408 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.808 9.735 -15.280 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.584 8.500 -16.905 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.607 7.503 -15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.657 8.030 -14.919 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.689 9.406 -16.004 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.155 6.611 -16.701 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.095 9.761 -17.890 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.526 9.402 -19.565 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.707 6.158 -18.855 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.434 7.371 -20.109 1.00 0.00 H new ATOM 1045 N ASP A 67 2.062 7.867 -12.540 1.00 0.00 N ATOM 1046 CA ASP A 67 2.508 6.556 -12.082 1.00 0.00 C ATOM 1047 C ASP A 67 1.703 6.102 -10.869 1.00 0.00 C ATOM 1048 O ASP A 67 1.195 4.982 -10.833 1.00 0.00 O ATOM 1049 CB ASP A 67 3.997 6.592 -11.737 1.00 0.00 C ATOM 1050 CG ASP A 67 4.876 6.260 -12.927 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.874 7.040 -13.903 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.565 5.220 -12.883 1.00 0.00 O ATOM 0 H ASP A 67 2.723 8.623 -12.362 1.00 0.00 H new ATOM 0 HA ASP A 67 2.348 5.842 -12.890 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.256 7.582 -11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.198 5.885 -10.932 1.00 0.00 H new ATOM 1057 N ALA A 68 1.592 6.979 -9.877 1.00 0.00 N ATOM 1058 CA ALA A 68 0.848 6.669 -8.662 1.00 0.00 C ATOM 1059 C ALA A 68 -0.650 6.599 -8.938 1.00 0.00 C ATOM 1060 O ALA A 68 -1.343 5.719 -8.429 1.00 0.00 O ATOM 1061 CB ALA A 68 1.140 7.703 -7.585 1.00 0.00 C ATOM 0 H ALA A 68 2.008 7.910 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 68 1.172 5.690 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.578 7.459 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.206 7.702 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.846 8.691 -7.940 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.142 7.532 -9.747 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.559 7.576 -10.089 1.00 0.00 C ATOM 1069 C GLN A 69 -2.980 6.310 -10.827 1.00 0.00 C ATOM 1070 O GLN A 69 -4.148 5.922 -10.797 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.860 8.806 -10.948 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.640 8.577 -12.435 1.00 0.00 C ATOM 1073 CD GLN A 69 -2.825 9.840 -13.253 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -2.365 10.916 -12.868 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -3.500 9.716 -14.389 1.00 0.00 N ATOM 0 H GLN A 69 -0.581 8.267 -10.177 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.129 7.641 -9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.894 9.109 -10.784 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.230 9.632 -10.619 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.634 8.190 -12.594 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.335 7.815 -12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.863 8.805 -14.669 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.655 10.532 -14.982 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.022 5.670 -11.488 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.294 4.447 -12.234 1.00 0.00 C ATOM 1086 C ASP A 70 -2.244 3.229 -11.316 1.00 0.00 C ATOM 1087 O ASP A 70 -3.162 2.409 -11.307 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.286 4.284 -13.372 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.762 4.922 -14.662 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.532 5.902 -14.590 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.365 4.441 -15.745 1.00 0.00 O ATOM 0 H ASP A 70 -1.050 5.978 -11.522 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.297 4.522 -12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.336 4.730 -13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.102 3.223 -13.541 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.167 3.118 -10.546 1.00 0.00 N ATOM 1097 CA ALA A 71 -0.998 2.001 -9.625 1.00 0.00 C ATOM 1098 C ALA A 71 -2.146 1.937 -8.624 1.00 0.00 C ATOM 1099 O ALA A 71 -2.588 0.854 -8.241 1.00 0.00 O ATOM 1100 CB ALA A 71 0.333 2.114 -8.897 1.00 0.00 C ATOM 0 H ALA A 71 -0.398 3.788 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.005 1.079 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.446 1.273 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.147 2.103 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.362 3.047 -8.334 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.624 3.104 -8.203 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.721 3.179 -7.244 1.00 0.00 C ATOM 1108 C GLU A 72 -5.023 2.686 -7.868 1.00 0.00 C ATOM 1109 O GLU A 72 -5.559 1.650 -7.474 1.00 0.00 O ATOM 1110 CB GLU A 72 -3.894 4.615 -6.745 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.036 4.783 -5.757 1.00 0.00 C ATOM 1112 CD GLU A 72 -5.532 6.213 -5.676 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -4.703 7.137 -5.814 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -6.749 6.409 -5.474 1.00 0.00 O ATOM 0 H GLU A 72 -2.269 4.010 -8.510 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.476 2.535 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.967 4.941 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.065 5.270 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.861 4.132 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.707 4.460 -4.769 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.527 3.435 -8.843 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.765 3.074 -9.522 1.00 0.00 C ATOM 1123 C ALA A 73 -6.815 1.577 -9.812 1.00 0.00 C ATOM 1124 O ALA A 73 -7.874 0.955 -9.731 1.00 0.00 O ATOM 1125 CB ALA A 73 -6.911 3.868 -10.812 1.00 0.00 C ATOM 0 H ALA A 73 -5.097 4.296 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.597 3.318 -8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.840 3.588 -11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.929 4.934 -10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.069 3.652 -11.470 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.664 1.006 -10.151 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.578 -0.418 -10.452 1.00 0.00 C ATOM 1133 C ALA A 74 -5.868 -1.259 -9.214 1.00 0.00 C ATOM 1134 O ALA A 74 -6.794 -2.070 -9.206 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.205 -0.757 -11.013 1.00 0.00 C ATOM 0 H ALA A 74 -4.779 1.507 -10.224 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.333 -0.652 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.155 -1.823 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.035 -0.189 -11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.439 -0.502 -10.280 1.00 0.00 H new ATOM 1141 N MET A 75 -5.071 -1.061 -8.169 1.00 0.00 N ATOM 1142 CA MET A 75 -5.244 -1.802 -6.925 1.00 0.00 C ATOM 1143 C MET A 75 -6.567 -1.442 -6.257 1.00 0.00 C ATOM 1144 O MET A 75 -7.437 -2.295 -6.081 1.00 0.00 O ATOM 1145 CB MET A 75 -4.082 -1.516 -5.971 1.00 0.00 C ATOM 1146 CG MET A 75 -2.914 -2.474 -6.132 1.00 0.00 C ATOM 1147 SD MET A 75 -3.398 -4.200 -5.932 1.00 0.00 S ATOM 1148 CE MET A 75 -1.861 -4.917 -5.354 1.00 0.00 C ATOM 0 H MET A 75 -4.299 -0.394 -8.159 1.00 0.00 H new ATOM 0 HA MET A 75 -5.256 -2.866 -7.163 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.731 -0.497 -6.135 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.445 -1.567 -4.944 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.470 -2.337 -7.118 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.145 -2.229 -5.400 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.978 -5.996 -5.252 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.068 -4.704 -6.071 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.600 -4.488 -4.387 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.711 -0.174 -5.886 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.929 0.299 -5.238 1.00 0.00 C ATOM 1160 C ASP A 76 -9.160 -0.378 -5.834 1.00 0.00 C ATOM 1161 O ASP A 76 -9.474 -0.194 -7.009 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.049 1.817 -5.376 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.491 2.283 -5.413 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.201 2.097 -4.403 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.911 2.833 -6.453 1.00 0.00 O ATOM 0 H ASP A 76 -6.000 0.544 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.872 0.042 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.537 2.296 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.543 2.137 -6.287 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.853 -1.162 -5.014 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.040 -1.855 -5.478 1.00 0.00 C ATOM 1172 C GLY A 77 -10.732 -3.240 -6.012 1.00 0.00 C ATOM 1173 O GLY A 77 -11.370 -3.705 -6.956 1.00 0.00 O ATOM 0 H GLY A 77 -9.613 -1.329 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.754 -1.936 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.519 -1.266 -6.260 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.750 -3.901 -5.407 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.359 -5.240 -5.827 1.00 0.00 C ATOM 1179 C ALA A 78 -9.654 -6.265 -4.737 1.00 0.00 C ATOM 1180 O ALA A 78 -10.038 -5.907 -3.624 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.882 -5.268 -6.194 1.00 0.00 C ATOM 0 H ALA A 78 -9.211 -3.530 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.946 -5.504 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.604 -6.275 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.697 -4.571 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.286 -4.979 -5.328 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.473 -7.541 -5.065 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.722 -8.617 -4.114 1.00 0.00 C ATOM 1189 C GLU A 79 -8.412 -9.252 -3.655 1.00 0.00 C ATOM 1190 O GLU A 79 -7.781 -10.005 -4.398 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.626 -9.681 -4.738 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.277 -10.601 -3.719 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.205 -11.616 -4.358 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.364 -11.256 -4.653 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.773 -12.769 -4.564 1.00 0.00 O ATOM 0 H GLU A 79 -9.155 -7.854 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.223 -8.190 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.405 -9.188 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.040 -10.281 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.501 -11.125 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.838 -10.003 -3.001 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.009 -8.942 -2.428 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.774 -9.482 -1.869 1.00 0.00 C ATOM 1204 C LEU A 80 -6.910 -9.711 -0.367 1.00 0.00 C ATOM 1205 O LEU A 80 -7.582 -8.949 0.328 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.608 -8.532 -2.148 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.019 -8.587 -3.559 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.174 -7.354 -3.833 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.195 -9.853 -3.743 1.00 0.00 C ATOM 0 H LEU A 80 -8.519 -8.320 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.576 -10.441 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.942 -7.513 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.812 -8.747 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.841 -8.605 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.763 -7.411 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.793 -6.461 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.358 -7.304 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.784 -9.876 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.381 -9.866 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.830 -10.726 -3.590 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.267 -10.763 0.126 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.313 -11.091 1.546 1.00 0.00 C ATOM 1223 C ASP A 81 -7.754 -11.155 2.042 1.00 0.00 C ATOM 1224 O ASP A 81 -8.044 -10.807 3.186 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.528 -10.058 2.356 1.00 0.00 C ATOM 1226 CG ASP A 81 -4.048 -10.067 2.026 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.652 -9.392 1.053 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -3.286 -10.750 2.742 1.00 0.00 O ATOM 0 H ASP A 81 -5.707 -11.404 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.856 -12.071 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.934 -9.065 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.661 -10.257 3.419 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.655 -11.603 1.172 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.055 -11.704 1.540 1.00 0.00 C ATOM 1235 C GLY A 82 -10.636 -10.375 1.982 1.00 0.00 C ATOM 1236 O GLY A 82 -11.540 -10.332 2.816 1.00 0.00 O ATOM 0 H GLY A 82 -8.440 -11.898 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.624 -12.081 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.164 -12.431 2.345 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.114 -9.288 1.422 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.585 -7.951 1.766 1.00 0.00 C ATOM 1242 C ARG A 83 -10.270 -6.961 0.649 1.00 0.00 C ATOM 1243 O ARG A 83 -9.434 -7.228 -0.213 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.944 -7.483 3.073 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.683 -7.953 4.316 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.460 -7.008 5.487 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.308 -7.342 6.629 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.607 -7.072 6.683 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -13.205 -6.467 5.666 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -13.311 -7.407 7.757 1.00 0.00 N ATOM 0 H ARG A 83 -9.366 -9.307 0.729 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.666 -7.995 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.916 -7.844 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.900 -6.394 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.749 -8.024 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.345 -8.954 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.413 -7.046 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.664 -5.985 5.171 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.879 -7.808 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.667 -6.208 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.203 -6.261 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.854 -7.872 8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.309 -7.199 7.798 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.947 -5.817 0.672 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.740 -4.787 -0.340 1.00 0.00 C ATOM 1266 C GLU A 84 -9.681 -3.785 0.112 1.00 0.00 C ATOM 1267 O GLU A 84 -10.004 -2.687 0.566 1.00 0.00 O ATOM 1268 CB GLU A 84 -12.053 -4.060 -0.636 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.972 -3.117 -1.825 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.186 -2.215 -1.938 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.638 -1.696 -0.896 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.684 -2.029 -3.068 1.00 0.00 O ATOM 0 H GLU A 84 -11.643 -5.580 1.379 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.390 -5.274 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.834 -4.798 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.352 -3.494 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.075 -2.504 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.871 -3.700 -2.740 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.417 -4.172 -0.015 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.309 -3.309 0.380 1.00 0.00 C ATOM 1281 C LEU A 85 -7.557 -1.869 -0.060 1.00 0.00 C ATOM 1282 O LEU A 85 -7.686 -1.588 -1.251 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.999 -3.819 -0.220 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.537 -5.199 0.251 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.280 -5.623 -0.492 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -5.297 -5.196 1.753 1.00 0.00 C ATOM 0 H LEU A 85 -8.133 -5.078 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.235 -3.330 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.105 -3.844 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.214 -3.098 0.007 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.324 -5.920 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.966 -6.607 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.486 -5.665 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.485 -4.901 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.969 -6.186 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.528 -4.463 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.222 -4.937 2.269 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.619 -0.962 0.909 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.850 0.449 0.622 1.00 0.00 C ATOM 1300 C ARG A 86 -6.553 1.138 0.207 1.00 0.00 C ATOM 1301 O ARG A 86 -5.773 1.577 1.053 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.444 1.150 1.845 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.916 0.841 2.068 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.620 1.978 2.792 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.795 1.516 3.525 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.756 2.325 3.959 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.681 3.629 3.734 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.795 1.829 4.619 1.00 0.00 N ATOM 0 H ARG A 86 -7.513 -1.179 1.900 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.557 0.515 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.881 0.856 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.320 2.227 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.401 0.664 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.013 -0.077 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.924 2.453 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.919 2.738 2.070 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.883 0.518 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.884 4.014 3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.420 4.248 4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.857 0.826 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.532 2.451 4.952 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.330 1.230 -1.100 1.00 0.00 N ATOM 1323 CA VAL A 87 -5.128 1.866 -1.627 1.00 0.00 C ATOM 1324 C VAL A 87 -5.457 3.201 -2.285 1.00 0.00 C ATOM 1325 O VAL A 87 -5.916 3.245 -3.425 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.418 0.962 -2.652 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.980 1.412 -2.855 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.474 -0.492 -2.209 1.00 0.00 C ATOM 0 H VAL A 87 -6.965 0.872 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.462 2.035 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.937 1.047 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.494 0.761 -3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.968 2.439 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.445 1.359 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.968 -1.116 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.981 -0.597 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.514 -0.806 -2.121 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.218 4.288 -1.557 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.490 5.625 -2.071 1.00 0.00 C ATOM 1340 C GLN A 88 -4.470 6.629 -1.542 1.00 0.00 C ATOM 1341 O GLN A 88 -3.696 6.323 -0.635 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.903 6.066 -1.685 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.076 6.321 -0.196 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.457 6.840 0.150 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.274 7.104 -0.733 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.726 6.990 1.442 1.00 0.00 N ATOM 0 H GLN A 88 -4.837 4.269 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.412 5.592 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.153 6.975 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.612 5.300 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.892 5.396 0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.328 7.041 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.019 6.759 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.639 7.336 1.736 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.474 7.828 -2.116 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.550 8.877 -1.702 1.00 0.00 C ATOM 1357 C VAL A 89 -3.824 9.317 -0.269 1.00 0.00 C ATOM 1358 O VAL A 89 -4.977 9.432 0.146 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.641 10.103 -2.630 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.572 11.124 -2.272 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.518 9.678 -4.086 1.00 0.00 C ATOM 0 H VAL A 89 -5.107 8.097 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.546 8.457 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.616 10.570 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.652 11.983 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.711 11.450 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.586 10.672 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.584 10.556 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.558 9.186 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.324 8.987 -4.333 1.00 0.00 H new