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+ -119:sc= 0.0494 (180deg=-0.938) USER MOD Single : A 20 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.5) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00884 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.637 USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.00584 USER MOD Single : A 26 SER OG : rot 46:sc= 0.644 USER MOD Single : A 29 SER OG : rot 180:sc= 0 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= 0 K(o=0,f=-1.4) USER MOD Single : A 75 MET CE :methyl -162:sc= -1.5 (180deg=-2.36!) USER MOD Single : A 88 GLN : amide:sc= -0.516 K(o=-0.52,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.201 12.554 -4.711 1.00 0.00 N ATOM 145 CA ILE A 14 3.917 11.869 -4.789 1.00 0.00 C ATOM 146 C ILE A 14 3.897 10.635 -3.894 1.00 0.00 C ATOM 147 O ILE A 14 4.503 9.611 -4.214 1.00 0.00 O ATOM 148 CB ILE A 14 3.592 11.447 -6.234 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.697 12.648 -7.176 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.203 10.830 -6.306 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.553 13.628 -7.035 1.00 0.00 C ATOM 0 HA ILE A 14 3.161 12.575 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 14 4.318 10.698 -6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.636 13.168 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.734 12.290 -8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.988 10.537 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.161 9.952 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.463 11.559 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.693 14.454 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.612 13.123 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.528 14.014 -6.016 1.00 0.00 H new ATOM 163 N THR A 15 3.194 10.737 -2.770 1.00 0.00 N ATOM 164 CA THR A 15 3.094 9.629 -1.828 1.00 0.00 C ATOM 165 C THR A 15 1.725 8.963 -1.907 1.00 0.00 C ATOM 166 O THR A 15 0.722 9.614 -2.205 1.00 0.00 O ATOM 167 CB THR A 15 3.342 10.097 -0.382 1.00 0.00 C ATOM 168 OG1 THR A 15 4.345 11.119 -0.363 1.00 0.00 O ATOM 169 CG2 THR A 15 3.780 8.934 0.496 1.00 0.00 C ATOM 0 H THR A 15 2.686 11.576 -2.490 1.00 0.00 H new ATOM 0 HA THR A 15 3.863 8.908 -2.105 1.00 0.00 H new ATOM 0 HB THR A 15 2.408 10.497 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.496 11.412 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.949 9.289 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.002 8.170 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.703 8.508 0.102 1.00 0.00 H new ATOM 177 N LEU A 16 1.689 7.663 -1.637 1.00 0.00 N ATOM 178 CA LEU A 16 0.441 6.908 -1.676 1.00 0.00 C ATOM 179 C LEU A 16 0.116 6.322 -0.306 1.00 0.00 C ATOM 180 O LEU A 16 1.008 5.892 0.426 1.00 0.00 O ATOM 181 CB LEU A 16 0.532 5.787 -2.714 1.00 0.00 C ATOM 182 CG LEU A 16 0.510 6.225 -4.178 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.593 5.017 -5.098 1.00 0.00 C ATOM 184 CD2 LEU A 16 -0.743 7.037 -4.473 1.00 0.00 C ATOM 0 H LEU A 16 2.509 7.110 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.360 7.592 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.451 5.228 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.297 5.098 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 16 1.380 6.856 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.576 5.349 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.519 4.476 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.257 4.360 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.742 7.340 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.626 6.430 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.760 7.923 -3.838 1.00 0.00 H new ATOM 196 N LYS A 17 -1.169 6.306 0.035 1.00 0.00 N ATOM 197 CA LYS A 17 -1.614 5.770 1.316 1.00 0.00 C ATOM 198 C LYS A 17 -2.136 4.346 1.157 1.00 0.00 C ATOM 199 O LYS A 17 -2.881 4.047 0.224 1.00 0.00 O ATOM 200 CB LYS A 17 -2.705 6.661 1.913 1.00 0.00 C ATOM 201 CG LYS A 17 -3.039 6.329 3.357 1.00 0.00 C ATOM 202 CD LYS A 17 -2.175 7.119 4.326 1.00 0.00 C ATOM 203 CE LYS A 17 -2.856 7.280 5.676 1.00 0.00 C ATOM 204 NZ LYS A 17 -3.379 5.985 6.192 1.00 0.00 N ATOM 0 H LYS A 17 -1.920 6.658 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.759 5.752 1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.386 7.702 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.608 6.569 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.090 6.545 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.897 5.262 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.219 6.613 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.961 8.102 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.148 7.697 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.676 7.993 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.411 6.048 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.151 5.226 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.941 5.775 7.112 1.00 0.00 H new ATOM 218 N VAL A 18 -1.743 3.470 2.077 1.00 0.00 N ATOM 219 CA VAL A 18 -2.174 2.078 2.040 1.00 0.00 C ATOM 220 C VAL A 18 -2.711 1.633 3.396 1.00 0.00 C ATOM 221 O VAL A 18 -2.092 1.878 4.431 1.00 0.00 O ATOM 222 CB VAL A 18 -1.021 1.144 1.626 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.537 -0.265 1.376 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.312 1.687 0.395 1.00 0.00 C ATOM 0 H VAL A 18 -1.127 3.700 2.857 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.969 2.013 1.298 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.301 1.101 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.708 -0.910 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.995 -0.652 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.279 -0.245 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.500 1.015 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.021 1.762 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.094 2.674 0.615 1.00 0.00 H new ATOM 234 N ASP A 19 -3.867 0.978 3.382 1.00 0.00 N ATOM 235 CA ASP A 19 -4.488 0.497 4.610 1.00 0.00 C ATOM 236 C ASP A 19 -4.753 -1.003 4.534 1.00 0.00 C ATOM 237 O ASP A 19 -4.419 -1.653 3.544 1.00 0.00 O ATOM 238 CB ASP A 19 -5.796 1.246 4.873 1.00 0.00 C ATOM 239 CG ASP A 19 -6.108 1.364 6.352 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.159 1.344 7.163 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.302 1.478 6.698 1.00 0.00 O ATOM 0 H ASP A 19 -4.393 0.768 2.533 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.799 0.685 5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.734 2.243 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.614 0.729 4.372 1.00 0.00 H new ATOM 246 N ASN A 20 -5.354 -1.547 5.587 1.00 0.00 N ATOM 247 CA ASN A 20 -5.663 -2.972 5.640 1.00 0.00 C ATOM 248 C ASN A 20 -4.438 -3.807 5.281 1.00 0.00 C ATOM 249 O ASN A 20 -4.508 -4.701 4.436 1.00 0.00 O ATOM 250 CB ASN A 20 -6.815 -3.301 4.689 1.00 0.00 C ATOM 251 CG ASN A 20 -7.223 -4.760 4.759 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.012 -5.427 5.772 1.00 0.00 O ATOM 253 ND2 ASN A 20 -7.812 -5.262 3.679 1.00 0.00 N ATOM 0 H ASN A 20 -5.637 -1.023 6.415 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.962 -3.216 6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.673 -2.674 4.932 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.521 -3.057 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.110 -6.238 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.967 -4.672 2.862 1.00 0.00 H new ATOM 260 N LEU A 21 -3.316 -3.510 5.927 1.00 0.00 N ATOM 261 CA LEU A 21 -2.074 -4.234 5.677 1.00 0.00 C ATOM 262 C LEU A 21 -1.744 -5.166 6.837 1.00 0.00 C ATOM 263 O LEU A 21 -1.226 -4.734 7.868 1.00 0.00 O ATOM 264 CB LEU A 21 -0.923 -3.250 5.454 1.00 0.00 C ATOM 265 CG LEU A 21 -1.015 -2.382 4.199 1.00 0.00 C ATOM 266 CD1 LEU A 21 -0.004 -1.248 4.259 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.800 -3.226 2.951 1.00 0.00 C ATOM 0 H LEU A 21 -3.240 -2.773 6.628 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.208 -4.836 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.860 -2.593 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.008 -3.815 5.413 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.014 -1.948 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.084 -0.641 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.204 -0.628 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.002 -1.661 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.869 -2.592 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.186 -3.689 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.563 -4.003 2.901 1.00 0.00 H new ATOM 279 N THR A 22 -2.045 -6.450 6.663 1.00 0.00 N ATOM 280 CA THR A 22 -1.779 -7.444 7.695 1.00 0.00 C ATOM 281 C THR A 22 -0.291 -7.519 8.016 1.00 0.00 C ATOM 282 O THR A 22 0.553 -7.279 7.152 1.00 0.00 O ATOM 283 CB THR A 22 -2.273 -8.840 7.270 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.831 -9.823 8.212 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.762 -9.195 5.882 1.00 0.00 C ATOM 0 H THR A 22 -2.473 -6.825 5.817 1.00 0.00 H new ATOM 0 HA THR A 22 -2.324 -7.129 8.585 1.00 0.00 H new ATOM 0 HB THR A 22 -3.363 -8.824 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.150 -10.707 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.124 -10.185 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.124 -8.461 5.162 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.672 -9.194 5.884 1.00 0.00 H new ATOM 293 N TYR A 23 0.024 -7.855 9.262 1.00 0.00 N ATOM 294 CA TYR A 23 1.412 -7.960 9.697 1.00 0.00 C ATOM 295 C TYR A 23 2.284 -8.558 8.597 1.00 0.00 C ATOM 296 O TYR A 23 3.413 -8.119 8.378 1.00 0.00 O ATOM 297 CB TYR A 23 1.508 -8.817 10.961 1.00 0.00 C ATOM 298 CG TYR A 23 1.530 -10.303 10.685 1.00 0.00 C ATOM 299 CD1 TYR A 23 2.616 -10.897 10.053 1.00 0.00 C ATOM 300 CD2 TYR A 23 0.464 -11.114 11.055 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.639 -12.254 9.799 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.479 -12.472 10.806 1.00 0.00 C ATOM 303 CZ TYR A 23 1.569 -13.038 10.177 1.00 0.00 C ATOM 304 OH TYR A 23 1.588 -14.391 9.926 1.00 0.00 O ATOM 0 H TYR A 23 -0.662 -8.059 9.988 1.00 0.00 H new ATOM 0 HA TYR A 23 1.774 -6.956 9.917 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.411 -8.544 11.507 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.662 -8.589 11.610 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.456 -10.287 9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.391 -10.674 11.546 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.491 -12.699 9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.358 -13.088 11.102 1.00 0.00 H new ATOM 0 HH TYR A 23 0.759 -14.797 10.256 1.00 0.00 H new ATOM 314 N ARG A 24 1.751 -9.561 7.908 1.00 0.00 N ATOM 315 CA ARG A 24 2.479 -10.220 6.830 1.00 0.00 C ATOM 316 C ARG A 24 3.076 -9.194 5.871 1.00 0.00 C ATOM 317 O ARG A 24 4.243 -9.289 5.490 1.00 0.00 O ATOM 318 CB ARG A 24 1.555 -11.171 6.068 1.00 0.00 C ATOM 319 CG ARG A 24 1.186 -12.420 6.851 1.00 0.00 C ATOM 320 CD ARG A 24 2.349 -13.396 6.923 1.00 0.00 C ATOM 321 NE ARG A 24 2.535 -14.120 5.669 1.00 0.00 N ATOM 322 CZ ARG A 24 1.707 -15.064 5.235 1.00 0.00 C ATOM 323 NH1 ARG A 24 0.642 -15.397 5.952 1.00 0.00 N ATOM 324 NH2 ARG A 24 1.944 -15.678 4.083 1.00 0.00 N ATOM 0 H ARG A 24 0.817 -9.935 8.077 1.00 0.00 H new ATOM 0 HA ARG A 24 3.293 -10.794 7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.643 -10.639 5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.039 -11.466 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.880 -12.141 7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.331 -12.906 6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.262 -12.854 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.175 -14.108 7.730 1.00 0.00 H new ATOM 0 HE ARG A 24 3.345 -13.888 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.457 -14.928 6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.008 -16.122 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.763 -15.425 3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.308 -16.403 3.751 1.00 0.00 H new ATOM 338 N THR A 25 2.266 -8.214 5.482 1.00 0.00 N ATOM 339 CA THR A 25 2.713 -7.172 4.566 1.00 0.00 C ATOM 340 C THR A 25 4.118 -6.697 4.917 1.00 0.00 C ATOM 341 O THR A 25 4.375 -6.263 6.039 1.00 0.00 O ATOM 342 CB THR A 25 1.757 -5.964 4.580 1.00 0.00 C ATOM 343 OG1 THR A 25 0.448 -6.370 4.164 1.00 0.00 O ATOM 344 CG2 THR A 25 2.265 -4.860 3.666 1.00 0.00 C ATOM 0 H THR A 25 1.297 -8.120 5.787 1.00 0.00 H new ATOM 0 HA THR A 25 2.719 -7.610 3.568 1.00 0.00 H new ATOM 0 HB THR A 25 1.711 -5.578 5.598 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.002 -6.829 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.573 -4.018 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.248 -4.532 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.338 -5.237 2.646 1.00 0.00 H new ATOM 352 N SER A 26 5.025 -6.782 3.948 1.00 0.00 N ATOM 353 CA SER A 26 6.406 -6.363 4.156 1.00 0.00 C ATOM 354 C SER A 26 6.830 -5.347 3.100 1.00 0.00 C ATOM 355 O SER A 26 6.284 -5.294 1.998 1.00 0.00 O ATOM 356 CB SER A 26 7.340 -7.574 4.118 1.00 0.00 C ATOM 357 OG SER A 26 6.883 -8.597 4.986 1.00 0.00 O ATOM 0 H SER A 26 4.828 -7.137 3.012 1.00 0.00 H new ATOM 0 HA SER A 26 6.473 -5.892 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.402 -7.958 3.100 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.346 -7.270 4.406 1.00 0.00 H new ATOM 0 HG SER A 26 5.921 -8.730 4.857 1.00 0.00 H new ATOM 363 N PRO A 27 7.828 -4.519 3.444 1.00 0.00 N ATOM 364 CA PRO A 27 8.349 -3.489 2.541 1.00 0.00 C ATOM 365 C PRO A 27 8.564 -4.013 1.125 1.00 0.00 C ATOM 366 O PRO A 27 8.073 -3.433 0.157 1.00 0.00 O ATOM 367 CB PRO A 27 9.687 -3.103 3.177 1.00 0.00 C ATOM 368 CG PRO A 27 9.511 -3.383 4.629 1.00 0.00 C ATOM 369 CD PRO A 27 8.525 -4.525 4.741 1.00 0.00 C ATOM 0 HA PRO A 27 7.656 -2.655 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.507 -3.686 2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.920 -2.053 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.463 -3.648 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.140 -2.500 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.031 -5.474 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.831 -4.374 5.568 1.00 0.00 H new ATOM 377 N ASP A 28 9.299 -5.114 1.013 1.00 0.00 N ATOM 378 CA ASP A 28 9.577 -5.718 -0.285 1.00 0.00 C ATOM 379 C ASP A 28 8.291 -5.910 -1.082 1.00 0.00 C ATOM 380 O ASP A 28 8.239 -5.618 -2.277 1.00 0.00 O ATOM 381 CB ASP A 28 10.285 -7.062 -0.105 1.00 0.00 C ATOM 382 CG ASP A 28 10.991 -7.518 -1.366 1.00 0.00 C ATOM 383 OD1 ASP A 28 11.497 -6.652 -2.110 1.00 0.00 O ATOM 384 OD2 ASP A 28 11.038 -8.742 -1.609 1.00 0.00 O ATOM 0 H ASP A 28 9.713 -5.606 1.805 1.00 0.00 H new ATOM 0 HA ASP A 28 10.230 -5.043 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.010 -6.982 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.556 -7.816 0.193 1.00 0.00 H new ATOM 389 N SER A 29 7.254 -6.405 -0.413 1.00 0.00 N ATOM 390 CA SER A 29 5.969 -6.641 -1.060 1.00 0.00 C ATOM 391 C SER A 29 5.284 -5.322 -1.404 1.00 0.00 C ATOM 392 O SER A 29 5.047 -5.019 -2.574 1.00 0.00 O ATOM 393 CB SER A 29 5.064 -7.477 -0.153 1.00 0.00 C ATOM 394 OG SER A 29 5.658 -8.729 0.146 1.00 0.00 O ATOM 0 H SER A 29 7.279 -6.650 0.577 1.00 0.00 H new ATOM 0 HA SER A 29 6.151 -7.188 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.869 -6.934 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.102 -7.635 -0.640 1.00 0.00 H new ATOM 0 HG SER A 29 5.061 -9.244 0.728 1.00 0.00 H new ATOM 400 N LEU A 30 4.968 -4.541 -0.377 1.00 0.00 N ATOM 401 CA LEU A 30 4.310 -3.253 -0.569 1.00 0.00 C ATOM 402 C LEU A 30 4.932 -2.492 -1.735 1.00 0.00 C ATOM 403 O LEU A 30 4.244 -1.770 -2.456 1.00 0.00 O ATOM 404 CB LEU A 30 4.401 -2.416 0.708 1.00 0.00 C ATOM 405 CG LEU A 30 3.581 -1.126 0.724 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.129 -1.411 0.373 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.680 -0.448 2.083 1.00 0.00 C ATOM 0 H LEU A 30 5.157 -4.777 0.597 1.00 0.00 H new ATOM 0 HA LEU A 30 3.261 -3.440 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.084 -3.035 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.447 -2.160 0.877 1.00 0.00 H new ATOM 0 HG LEU A 30 3.989 -0.450 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.561 -0.481 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.075 -1.851 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.708 -2.106 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.090 0.469 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.299 -1.119 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.722 -0.207 2.295 1.00 0.00 H new ATOM 419 N ARG A 31 6.238 -2.661 -1.916 1.00 0.00 N ATOM 420 CA ARG A 31 6.953 -1.991 -2.995 1.00 0.00 C ATOM 421 C ARG A 31 6.669 -2.663 -4.335 1.00 0.00 C ATOM 422 O ARG A 31 6.375 -1.993 -5.326 1.00 0.00 O ATOM 423 CB ARG A 31 8.458 -1.996 -2.719 1.00 0.00 C ATOM 424 CG ARG A 31 9.192 -0.809 -3.319 1.00 0.00 C ATOM 425 CD ARG A 31 10.691 -0.903 -3.084 1.00 0.00 C ATOM 426 NE ARG A 31 11.434 0.054 -3.899 1.00 0.00 N ATOM 427 CZ ARG A 31 12.655 0.484 -3.598 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.266 0.044 -2.506 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.266 1.356 -4.389 1.00 0.00 N ATOM 0 H ARG A 31 6.822 -3.256 -1.329 1.00 0.00 H new ATOM 0 HA ARG A 31 6.603 -0.960 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.621 -2.006 -1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.888 -2.916 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.993 -0.760 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.811 0.114 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.905 -0.724 -2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.031 -1.913 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 31 10.992 0.412 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.799 -0.626 -1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.203 0.376 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.799 1.697 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.203 1.685 -4.157 1.00 0.00 H new ATOM 443 N ARG A 32 6.758 -3.988 -4.358 1.00 0.00 N ATOM 444 CA ARG A 32 6.512 -4.750 -5.576 1.00 0.00 C ATOM 445 C ARG A 32 5.058 -4.616 -6.017 1.00 0.00 C ATOM 446 O ARG A 32 4.691 -5.026 -7.119 1.00 0.00 O ATOM 447 CB ARG A 32 6.857 -6.225 -5.359 1.00 0.00 C ATOM 448 CG ARG A 32 7.163 -6.974 -6.646 1.00 0.00 C ATOM 449 CD ARG A 32 7.380 -8.457 -6.388 1.00 0.00 C ATOM 450 NE ARG A 32 8.445 -8.694 -5.417 1.00 0.00 N ATOM 451 CZ ARG A 32 8.737 -9.892 -4.924 1.00 0.00 C ATOM 452 NH1 ARG A 32 8.048 -10.957 -5.309 1.00 0.00 N ATOM 453 NH2 ARG A 32 9.720 -10.027 -4.043 1.00 0.00 N ATOM 0 H ARG A 32 6.999 -4.557 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 32 7.150 -4.347 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.718 -6.294 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.024 -6.714 -4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.341 -6.842 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.053 -6.550 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.453 -8.901 -6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.627 -8.956 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 32 8.995 -7.895 -5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.291 -10.858 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.275 -11.876 -4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.252 -9.210 -3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.943 -10.948 -3.665 1.00 0.00 H new ATOM 467 N VAL A 33 4.232 -4.040 -5.148 1.00 0.00 N ATOM 468 CA VAL A 33 2.818 -3.852 -5.448 1.00 0.00 C ATOM 469 C VAL A 33 2.611 -2.695 -6.419 1.00 0.00 C ATOM 470 O VAL A 33 1.782 -2.772 -7.326 1.00 0.00 O ATOM 471 CB VAL A 33 2.004 -3.585 -4.167 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.647 -2.990 -4.511 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.845 -4.865 -3.361 1.00 0.00 C ATOM 0 H VAL A 33 4.518 -3.696 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 33 2.466 -4.775 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 33 2.546 -2.863 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.086 -2.808 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.787 -2.049 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.094 -3.686 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.268 -4.658 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.325 -5.611 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.828 -5.244 -3.083 1.00 0.00 H new ATOM 483 N PHE A 34 3.371 -1.622 -6.223 1.00 0.00 N ATOM 484 CA PHE A 34 3.271 -0.447 -7.081 1.00 0.00 C ATOM 485 C PHE A 34 4.380 -0.444 -8.129 1.00 0.00 C ATOM 486 O PHE A 34 4.190 0.037 -9.246 1.00 0.00 O ATOM 487 CB PHE A 34 3.342 0.831 -6.243 1.00 0.00 C ATOM 488 CG PHE A 34 2.285 0.909 -5.178 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.003 0.442 -5.420 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.573 1.449 -3.935 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.028 0.512 -4.443 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.603 1.521 -2.954 1.00 0.00 C ATOM 493 CZ PHE A 34 0.329 1.053 -3.208 1.00 0.00 C ATOM 0 H PHE A 34 4.063 -1.542 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 34 2.310 -0.483 -7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.324 0.895 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.247 1.694 -6.902 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.763 0.018 -6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.567 1.818 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.967 0.144 -4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.841 1.943 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.431 1.110 -2.443 1.00 0.00 H new ATOM 503 N GLU A 35 5.537 -0.983 -7.759 1.00 0.00 N ATOM 504 CA GLU A 35 6.677 -1.041 -8.667 1.00 0.00 C ATOM 505 C GLU A 35 6.255 -1.561 -10.038 1.00 0.00 C ATOM 506 O GLU A 35 6.830 -1.188 -11.060 1.00 0.00 O ATOM 507 CB GLU A 35 7.775 -1.934 -8.086 1.00 0.00 C ATOM 508 CG GLU A 35 8.724 -1.202 -7.151 1.00 0.00 C ATOM 509 CD GLU A 35 9.887 -2.068 -6.706 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.652 -3.243 -6.357 1.00 0.00 O ATOM 511 OE2 GLU A 35 11.032 -1.570 -6.707 1.00 0.00 O ATOM 0 H GLU A 35 5.710 -1.385 -6.838 1.00 0.00 H new ATOM 0 HA GLU A 35 7.066 -0.030 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.312 -2.760 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.349 -2.369 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.108 -0.313 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.173 -0.861 -6.274 1.00 0.00 H new ATOM 518 N LYS A 36 5.247 -2.426 -10.051 1.00 0.00 N ATOM 519 CA LYS A 36 4.745 -2.999 -11.295 1.00 0.00 C ATOM 520 C LYS A 36 4.470 -1.907 -12.324 1.00 0.00 C ATOM 521 O LYS A 36 4.670 -2.106 -13.523 1.00 0.00 O ATOM 522 CB LYS A 36 3.469 -3.801 -11.033 1.00 0.00 C ATOM 523 CG LYS A 36 3.728 -5.249 -10.654 1.00 0.00 C ATOM 524 CD LYS A 36 2.546 -6.137 -11.005 1.00 0.00 C ATOM 525 CE LYS A 36 1.417 -5.988 -9.997 1.00 0.00 C ATOM 526 NZ LYS A 36 0.596 -7.227 -9.897 1.00 0.00 N ATOM 0 H LYS A 36 4.761 -2.746 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 36 5.510 -3.666 -11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.905 -3.320 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.843 -3.774 -11.925 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.619 -5.607 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.930 -5.316 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.182 -5.883 -12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.869 -7.177 -11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.833 -5.748 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.780 -5.152 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.163 -7.085 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.178 -7.442 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.199 -8.019 -9.596 1.00 0.00 H new ATOM 540 N TYR A 37 4.012 -0.754 -11.849 1.00 0.00 N ATOM 541 CA TYR A 37 3.709 0.368 -12.729 1.00 0.00 C ATOM 542 C TYR A 37 4.810 1.423 -12.666 1.00 0.00 C ATOM 543 O TYR A 37 5.437 1.743 -13.675 1.00 0.00 O ATOM 544 CB TYR A 37 2.366 0.994 -12.347 1.00 0.00 C ATOM 545 CG TYR A 37 1.278 -0.022 -12.085 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.479 -0.497 -13.118 1.00 0.00 C ATOM 547 CD2 TYR A 37 1.049 -0.508 -10.803 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.517 -1.424 -12.882 1.00 0.00 C ATOM 549 CE2 TYR A 37 0.056 -1.437 -10.558 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.725 -1.891 -11.601 1.00 0.00 C ATOM 551 OH TYR A 37 -1.715 -2.817 -11.362 1.00 0.00 O ATOM 0 H TYR A 37 3.843 -0.572 -10.860 1.00 0.00 H new ATOM 0 HA TYR A 37 3.650 -0.009 -13.750 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.501 1.608 -11.456 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.044 1.660 -13.147 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.640 -0.135 -14.123 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.658 -0.153 -9.984 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.130 -1.781 -13.696 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.108 -1.806 -9.556 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.729 -3.042 -10.408 1.00 0.00 H new ATOM 561 N GLY A 38 5.040 1.958 -11.471 1.00 0.00 N ATOM 562 CA GLY A 38 6.066 2.970 -11.297 1.00 0.00 C ATOM 563 C GLY A 38 7.003 2.654 -10.148 1.00 0.00 C ATOM 564 O GLY A 38 6.573 2.167 -9.103 1.00 0.00 O ATOM 0 H GLY A 38 4.535 1.709 -10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.643 3.060 -12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.593 3.936 -11.121 1.00 0.00 H new ATOM 568 N ARG A 39 8.289 2.930 -10.343 1.00 0.00 N ATOM 569 CA ARG A 39 9.290 2.668 -9.316 1.00 0.00 C ATOM 570 C ARG A 39 8.931 3.377 -8.013 1.00 0.00 C ATOM 571 O ARG A 39 8.575 4.555 -8.013 1.00 0.00 O ATOM 572 CB ARG A 39 10.671 3.124 -9.793 1.00 0.00 C ATOM 573 CG ARG A 39 11.820 2.390 -9.121 1.00 0.00 C ATOM 574 CD ARG A 39 13.058 3.266 -9.020 1.00 0.00 C ATOM 575 NE ARG A 39 13.897 3.168 -10.212 1.00 0.00 N ATOM 576 CZ ARG A 39 15.133 3.649 -10.283 1.00 0.00 C ATOM 577 NH1 ARG A 39 15.671 4.259 -9.236 1.00 0.00 N ATOM 578 NH2 ARG A 39 15.833 3.521 -11.402 1.00 0.00 N ATOM 0 H ARG A 39 8.661 3.335 -11.202 1.00 0.00 H new ATOM 0 HA ARG A 39 9.312 1.594 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.740 2.980 -10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.776 4.193 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.516 2.072 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.056 1.488 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.757 4.303 -8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.638 2.975 -8.144 1.00 0.00 H new ATOM 0 HE ARG A 39 13.512 2.705 -11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.136 4.360 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.620 4.628 -9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.422 3.053 -12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.782 3.891 -11.455 1.00 0.00 H new ATOM 592 N VAL A 40 9.025 2.649 -6.905 1.00 0.00 N ATOM 593 CA VAL A 40 8.711 3.207 -5.595 1.00 0.00 C ATOM 594 C VAL A 40 9.899 3.973 -5.024 1.00 0.00 C ATOM 595 O VAL A 40 10.904 3.379 -4.635 1.00 0.00 O ATOM 596 CB VAL A 40 8.297 2.107 -4.600 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.383 2.619 -3.171 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.895 1.607 -4.913 1.00 0.00 C ATOM 0 H VAL A 40 9.316 1.672 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 40 7.875 3.892 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 40 8.988 1.270 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.087 1.828 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.407 2.924 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.717 3.473 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.618 0.830 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.189 2.434 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.872 1.198 -5.923 1.00 0.00 H new ATOM 608 N GLY A 41 9.777 5.296 -4.976 1.00 0.00 N ATOM 609 CA GLY A 41 10.848 6.122 -4.451 1.00 0.00 C ATOM 610 C GLY A 41 11.321 5.659 -3.086 1.00 0.00 C ATOM 611 O GLY A 41 12.521 5.626 -2.816 1.00 0.00 O ATOM 0 H GLY A 41 8.955 5.811 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.687 6.109 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.506 7.155 -4.383 1.00 0.00 H new ATOM 615 N ASP A 42 10.375 5.304 -2.224 1.00 0.00 N ATOM 616 CA ASP A 42 10.700 4.842 -0.880 1.00 0.00 C ATOM 617 C ASP A 42 9.489 4.189 -0.221 1.00 0.00 C ATOM 618 O ASP A 42 8.346 4.535 -0.518 1.00 0.00 O ATOM 619 CB ASP A 42 11.196 6.008 -0.023 1.00 0.00 C ATOM 620 CG ASP A 42 11.115 5.710 1.462 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.930 4.900 1.949 1.00 0.00 O ATOM 622 OD2 ASP A 42 10.236 6.288 2.136 1.00 0.00 O ATOM 0 H ASP A 42 9.377 5.327 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 42 11.492 4.097 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.228 6.238 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.604 6.896 -0.245 1.00 0.00 H new ATOM 627 N VAL A 43 9.748 3.241 0.674 1.00 0.00 N ATOM 628 CA VAL A 43 8.680 2.539 1.375 1.00 0.00 C ATOM 629 C VAL A 43 8.802 2.717 2.884 1.00 0.00 C ATOM 630 O VAL A 43 9.837 2.406 3.474 1.00 0.00 O ATOM 631 CB VAL A 43 8.685 1.034 1.044 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.333 0.413 1.360 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.056 0.811 -0.414 1.00 0.00 C ATOM 0 H VAL A 43 10.689 2.942 0.931 1.00 0.00 H new ATOM 0 HA VAL A 43 7.740 2.975 1.036 1.00 0.00 H new ATOM 0 HB VAL A 43 9.436 0.545 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.356 -0.650 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.113 0.541 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.560 0.902 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.055 -0.257 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.330 1.312 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.049 1.218 -0.603 1.00 0.00 H new ATOM 643 N TYR A 44 7.740 3.218 3.503 1.00 0.00 N ATOM 644 CA TYR A 44 7.729 3.439 4.944 1.00 0.00 C ATOM 645 C TYR A 44 6.462 2.868 5.574 1.00 0.00 C ATOM 646 O TYR A 44 5.371 2.982 5.014 1.00 0.00 O ATOM 647 CB TYR A 44 7.835 4.933 5.253 1.00 0.00 C ATOM 648 CG TYR A 44 8.033 5.236 6.721 1.00 0.00 C ATOM 649 CD1 TYR A 44 9.289 5.138 7.307 1.00 0.00 C ATOM 650 CD2 TYR A 44 6.964 5.619 7.522 1.00 0.00 C ATOM 651 CE1 TYR A 44 9.474 5.413 8.648 1.00 0.00 C ATOM 652 CE2 TYR A 44 7.141 5.897 8.863 1.00 0.00 C ATOM 653 CZ TYR A 44 8.397 5.793 9.422 1.00 0.00 C ATOM 654 OH TYR A 44 8.577 6.068 10.758 1.00 0.00 O ATOM 0 H TYR A 44 6.875 3.479 3.030 1.00 0.00 H new ATOM 0 HA TYR A 44 8.590 2.924 5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.667 5.354 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.930 5.432 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.135 4.842 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.978 5.701 7.088 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.457 5.331 9.088 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.299 6.195 9.471 1.00 0.00 H new ATOM 0 HH TYR A 44 7.719 6.322 11.158 1.00 0.00 H new ATOM 664 N ILE A 45 6.615 2.252 6.741 1.00 0.00 N ATOM 665 CA ILE A 45 5.484 1.664 7.448 1.00 0.00 C ATOM 666 C ILE A 45 5.497 2.051 8.923 1.00 0.00 C ATOM 667 O ILE A 45 6.132 1.402 9.755 1.00 0.00 O ATOM 668 CB ILE A 45 5.484 0.129 7.331 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.693 -0.294 5.876 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.182 -0.443 7.873 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.111 -1.739 5.720 1.00 0.00 C ATOM 0 H ILE A 45 7.511 2.147 7.217 1.00 0.00 H new ATOM 0 HA ILE A 45 4.581 2.055 6.980 1.00 0.00 H new ATOM 0 HB ILE A 45 6.308 -0.266 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.769 -0.130 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.452 0.346 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.197 -1.529 7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.072 -0.167 8.922 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.344 -0.043 7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.241 -1.968 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.052 -1.904 6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.342 -2.388 6.140 1.00 0.00 H new ATOM 683 N PRO A 46 4.778 3.132 9.258 1.00 0.00 N ATOM 684 CA PRO A 46 4.688 3.628 10.634 1.00 0.00 C ATOM 685 C PRO A 46 4.375 2.518 11.632 1.00 0.00 C ATOM 686 O PRO A 46 3.451 1.731 11.429 1.00 0.00 O ATOM 687 CB PRO A 46 3.535 4.634 10.575 1.00 0.00 C ATOM 688 CG PRO A 46 3.525 5.115 9.165 1.00 0.00 C ATOM 689 CD PRO A 46 3.996 3.954 8.319 1.00 0.00 C ATOM 0 HA PRO A 46 5.630 4.058 10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.587 4.166 10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.691 5.457 11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.525 5.432 8.869 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.181 5.977 9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.157 3.397 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.604 4.291 7.480 1.00 0.00 H new ATOM 851 N GLY A 56 -0.964 -0.081 11.107 1.00 0.00 N ATOM 852 CA GLY A 56 -2.066 -0.552 10.290 1.00 0.00 C ATOM 853 C GLY A 56 -1.990 -0.045 8.863 1.00 0.00 C ATOM 854 O GLY A 56 -2.416 -0.727 7.931 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.070 -1.642 10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.007 -0.232 10.736 1.00 0.00 H new ATOM 858 N PHE A 57 -1.446 1.155 8.692 1.00 0.00 N ATOM 859 CA PHE A 57 -1.318 1.755 7.369 1.00 0.00 C ATOM 860 C PHE A 57 0.150 1.951 7.002 1.00 0.00 C ATOM 861 O PHE A 57 1.041 1.736 7.823 1.00 0.00 O ATOM 862 CB PHE A 57 -2.052 3.096 7.320 1.00 0.00 C ATOM 863 CG PHE A 57 -1.683 4.023 8.444 1.00 0.00 C ATOM 864 CD1 PHE A 57 -2.169 3.809 9.723 1.00 0.00 C ATOM 865 CD2 PHE A 57 -0.850 5.107 8.220 1.00 0.00 C ATOM 866 CE1 PHE A 57 -1.832 4.660 10.759 1.00 0.00 C ATOM 867 CE2 PHE A 57 -0.508 5.961 9.252 1.00 0.00 C ATOM 868 CZ PHE A 57 -0.999 5.737 10.523 1.00 0.00 C ATOM 0 H PHE A 57 -1.087 1.731 9.453 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.768 1.077 6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.835 3.585 6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.126 2.914 7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.819 2.968 9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.463 5.287 7.228 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.219 4.483 11.752 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.143 6.802 9.064 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.733 6.402 11.331 1.00 0.00 H new ATOM 878 N ALA A 58 0.393 2.361 5.761 1.00 0.00 N ATOM 879 CA ALA A 58 1.752 2.588 5.284 1.00 0.00 C ATOM 880 C ALA A 58 1.781 3.659 4.199 1.00 0.00 C ATOM 881 O ALA A 58 0.745 4.018 3.639 1.00 0.00 O ATOM 882 CB ALA A 58 2.352 1.291 4.764 1.00 0.00 C ATOM 0 H ALA A 58 -0.333 2.543 5.068 1.00 0.00 H new ATOM 0 HA ALA A 58 2.351 2.942 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.367 1.475 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.375 0.553 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.745 0.913 3.941 1.00 0.00 H new ATOM 888 N PHE A 59 2.974 4.166 3.906 1.00 0.00 N ATOM 889 CA PHE A 59 3.137 5.198 2.889 1.00 0.00 C ATOM 890 C PHE A 59 4.144 4.761 1.828 1.00 0.00 C ATOM 891 O PHE A 59 5.073 4.005 2.112 1.00 0.00 O ATOM 892 CB PHE A 59 3.593 6.510 3.531 1.00 0.00 C ATOM 893 CG PHE A 59 2.657 7.015 4.592 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.480 7.660 4.247 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.954 6.844 5.934 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.618 8.126 5.221 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.095 7.307 6.913 1.00 0.00 C ATOM 898 CZ PHE A 59 0.925 7.948 6.556 1.00 0.00 C ATOM 0 H PHE A 59 3.842 3.879 4.358 1.00 0.00 H new ATOM 0 HA PHE A 59 2.172 5.354 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.581 6.367 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.694 7.269 2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.234 7.800 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.867 6.343 6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.295 8.629 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.339 7.168 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.251 8.309 7.319 1.00 0.00 H new ATOM 908 N VAL A 60 3.951 5.243 0.604 1.00 0.00 N ATOM 909 CA VAL A 60 4.842 4.904 -0.499 1.00 0.00 C ATOM 910 C VAL A 60 5.048 6.097 -1.426 1.00 0.00 C ATOM 911 O VAL A 60 4.101 6.590 -2.039 1.00 0.00 O ATOM 912 CB VAL A 60 4.294 3.720 -1.319 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.402 3.083 -2.143 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.643 2.694 -0.403 1.00 0.00 C ATOM 0 H VAL A 60 3.186 5.869 0.352 1.00 0.00 H new ATOM 0 HA VAL A 60 5.798 4.621 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 60 3.534 4.096 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.996 2.249 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.819 3.823 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.186 2.720 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.261 1.865 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.380 2.321 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.820 3.160 0.139 1.00 0.00 H new ATOM 924 N ARG A 61 6.291 6.556 -1.523 1.00 0.00 N ATOM 925 CA ARG A 61 6.622 7.692 -2.374 1.00 0.00 C ATOM 926 C ARG A 61 6.792 7.252 -3.826 1.00 0.00 C ATOM 927 O ARG A 61 6.955 6.066 -4.111 1.00 0.00 O ATOM 928 CB ARG A 61 7.902 8.370 -1.882 1.00 0.00 C ATOM 929 CG ARG A 61 7.689 9.272 -0.678 1.00 0.00 C ATOM 930 CD ARG A 61 7.738 8.486 0.623 1.00 0.00 C ATOM 931 NE ARG A 61 7.333 9.297 1.768 1.00 0.00 N ATOM 932 CZ ARG A 61 8.130 10.177 2.364 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.368 10.359 1.926 1.00 0.00 N ATOM 934 NH2 ARG A 61 7.688 10.877 3.401 1.00 0.00 N ATOM 0 H ARG A 61 7.086 6.158 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 61 5.799 8.405 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.634 7.604 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.327 8.958 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.454 10.049 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.726 9.775 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.085 7.616 0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.749 8.112 0.783 1.00 0.00 H new ATOM 0 HE ARG A 61 6.386 9.181 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.711 9.823 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.977 11.035 2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.736 10.739 3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.300 11.553 3.858 1.00 0.00 H new ATOM 948 N PHE A 62 6.752 8.217 -4.739 1.00 0.00 N ATOM 949 CA PHE A 62 6.900 7.929 -6.161 1.00 0.00 C ATOM 950 C PHE A 62 7.663 9.047 -6.865 1.00 0.00 C ATOM 951 O PHE A 62 8.017 10.055 -6.252 1.00 0.00 O ATOM 952 CB PHE A 62 5.527 7.746 -6.812 1.00 0.00 C ATOM 953 CG PHE A 62 4.858 6.452 -6.444 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.373 6.248 -5.162 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.713 5.441 -7.380 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.757 5.058 -4.821 1.00 0.00 C ATOM 957 CE2 PHE A 62 4.098 4.250 -7.045 1.00 0.00 C ATOM 958 CZ PHE A 62 3.618 4.058 -5.764 1.00 0.00 C ATOM 0 H PHE A 62 6.618 9.204 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 62 7.468 7.004 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.882 8.575 -6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.638 7.794 -7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.477 7.027 -4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.085 5.586 -8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.385 4.910 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.993 3.470 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.135 3.129 -5.500 1.00 0.00 H new ATOM 968 N HIS A 63 7.914 8.861 -8.157 1.00 0.00 N ATOM 969 CA HIS A 63 8.636 9.854 -8.946 1.00 0.00 C ATOM 970 C HIS A 63 7.671 10.694 -9.777 1.00 0.00 C ATOM 971 O HIS A 63 7.723 11.924 -9.751 1.00 0.00 O ATOM 972 CB HIS A 63 9.651 9.168 -9.861 1.00 0.00 C ATOM 973 CG HIS A 63 10.856 8.650 -9.138 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.792 9.473 -8.548 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.274 7.383 -8.909 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.734 8.735 -7.989 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.443 7.463 -8.194 1.00 0.00 N ATOM 0 H HIS A 63 7.629 8.033 -8.680 1.00 0.00 H new ATOM 0 HA HIS A 63 9.165 10.514 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.163 8.340 -10.375 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.973 9.874 -10.627 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.780 6.478 -9.229 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.596 9.108 -7.455 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.997 6.669 -7.873 1.00 0.00 H new ATOM 985 N ASP A 64 6.791 10.023 -10.512 1.00 0.00 N ATOM 986 CA ASP A 64 5.814 10.708 -11.350 1.00 0.00 C ATOM 987 C ASP A 64 4.393 10.312 -10.962 1.00 0.00 C ATOM 988 O ASP A 64 4.008 9.148 -11.080 1.00 0.00 O ATOM 989 CB ASP A 64 6.061 10.387 -12.825 1.00 0.00 C ATOM 990 CG ASP A 64 7.457 10.771 -13.275 1.00 0.00 C ATOM 991 OD1 ASP A 64 8.004 11.756 -12.736 1.00 0.00 O ATOM 992 OD2 ASP A 64 8.002 10.087 -14.165 1.00 0.00 O ATOM 0 H ASP A 64 6.734 9.005 -10.544 1.00 0.00 H new ATOM 0 HA ASP A 64 5.928 11.781 -11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.909 9.321 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.328 10.913 -13.436 1.00 0.00 H new ATOM 997 N ARG A 65 3.619 11.287 -10.496 1.00 0.00 N ATOM 998 CA ARG A 65 2.241 11.039 -10.088 1.00 0.00 C ATOM 999 C ARG A 65 1.529 10.139 -11.094 1.00 0.00 C ATOM 1000 O ARG A 65 0.725 9.287 -10.718 1.00 0.00 O ATOM 1001 CB ARG A 65 1.484 12.361 -9.946 1.00 0.00 C ATOM 1002 CG ARG A 65 1.254 13.077 -11.267 1.00 0.00 C ATOM 1003 CD ARG A 65 0.629 14.447 -11.057 1.00 0.00 C ATOM 1004 NE ARG A 65 -0.787 14.355 -10.711 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.637 15.370 -10.817 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.217 16.548 -11.256 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -2.911 15.208 -10.483 1.00 0.00 N ATOM 0 H ARG A 65 3.922 12.255 -10.392 1.00 0.00 H new ATOM 0 HA ARG A 65 2.260 10.532 -9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.520 12.169 -9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.041 13.019 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.202 13.185 -11.793 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.605 12.473 -11.901 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.163 14.971 -10.264 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.743 15.040 -11.964 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.143 13.462 -10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.239 16.677 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.872 17.326 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.238 14.303 -10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.563 15.988 -10.565 1.00 0.00 H new ATOM 1021 N ARG A 66 1.831 10.335 -12.373 1.00 0.00 N ATOM 1022 CA ARG A 66 1.220 9.542 -13.433 1.00 0.00 C ATOM 1023 C ARG A 66 1.232 8.058 -13.078 1.00 0.00 C ATOM 1024 O ARG A 66 0.182 7.452 -12.865 1.00 0.00 O ATOM 1025 CB ARG A 66 1.954 9.767 -14.756 1.00 0.00 C ATOM 1026 CG ARG A 66 1.681 11.126 -15.381 1.00 0.00 C ATOM 1027 CD ARG A 66 0.406 11.112 -16.209 1.00 0.00 C ATOM 1028 NE ARG A 66 0.654 10.707 -17.589 1.00 0.00 N ATOM 1029 CZ ARG A 66 -0.307 10.352 -18.435 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -1.574 10.353 -18.043 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -0.002 9.995 -19.676 1.00 0.00 N ATOM 0 H ARG A 66 2.495 11.036 -12.701 1.00 0.00 H new ATOM 0 HA ARG A 66 0.184 9.864 -13.541 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.026 9.662 -14.589 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.663 8.988 -15.460 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.599 11.878 -14.597 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.522 11.413 -16.011 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.313 10.431 -15.755 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.044 12.105 -16.198 1.00 0.00 H new ATOM 0 HE ARG A 66 1.618 10.696 -17.922 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.813 10.627 -17.090 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.310 10.080 -18.695 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.971 9.993 -19.981 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.741 9.723 -20.324 1.00 0.00 H new ATOM 1045 N ASP A 67 2.426 7.480 -13.016 1.00 0.00 N ATOM 1046 CA ASP A 67 2.576 6.067 -12.686 1.00 0.00 C ATOM 1047 C ASP A 67 1.970 5.761 -11.320 1.00 0.00 C ATOM 1048 O ASP A 67 1.494 4.653 -11.076 1.00 0.00 O ATOM 1049 CB ASP A 67 4.053 5.671 -12.703 1.00 0.00 C ATOM 1050 CG ASP A 67 4.771 6.165 -13.944 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.170 6.111 -15.037 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.934 6.603 -13.822 1.00 0.00 O ATOM 0 H ASP A 67 3.305 7.968 -13.190 1.00 0.00 H new ATOM 0 HA ASP A 67 2.044 5.485 -13.438 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.544 6.074 -11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.136 4.586 -12.647 1.00 0.00 H new ATOM 1057 N ALA A 68 1.992 6.750 -10.433 1.00 0.00 N ATOM 1058 CA ALA A 68 1.444 6.587 -9.093 1.00 0.00 C ATOM 1059 C ALA A 68 -0.075 6.726 -9.100 1.00 0.00 C ATOM 1060 O ALA A 68 -0.735 6.465 -8.095 1.00 0.00 O ATOM 1061 CB ALA A 68 2.065 7.600 -8.142 1.00 0.00 C ATOM 0 H ALA A 68 2.384 7.673 -10.619 1.00 0.00 H new ATOM 0 HA ALA A 68 1.689 5.583 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.646 7.467 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.144 7.451 -8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.850 8.609 -8.494 1.00 0.00 H new ATOM 1067 N GLN A 69 -0.621 7.141 -10.238 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.062 7.316 -10.374 1.00 0.00 C ATOM 1069 C GLN A 69 -2.721 6.036 -10.878 1.00 0.00 C ATOM 1070 O GLN A 69 -3.830 5.694 -10.466 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.369 8.472 -11.328 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.448 9.825 -10.639 1.00 0.00 C ATOM 1073 CD GLN A 69 -3.808 10.086 -10.022 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -4.531 9.155 -9.668 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.163 11.359 -9.889 1.00 0.00 N ATOM 0 H GLN A 69 -0.088 7.362 -11.079 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.469 7.549 -9.390 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.599 8.510 -12.099 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.315 8.275 -11.832 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.685 9.879 -9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.224 10.610 -11.361 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.532 12.099 -10.196 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.067 11.596 -9.480 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.032 5.334 -11.771 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.550 4.091 -12.330 1.00 0.00 C ATOM 1086 C ASP A 70 -2.521 2.974 -11.292 1.00 0.00 C ATOM 1087 O ASP A 70 -3.439 2.158 -11.218 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.738 3.683 -13.560 1.00 0.00 C ATOM 1089 CG ASP A 70 -2.561 2.903 -14.566 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -3.186 1.897 -14.169 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -2.583 3.299 -15.750 1.00 0.00 O ATOM 0 H ASP A 70 -1.114 5.605 -12.123 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.585 4.259 -12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.336 4.576 -14.039 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.887 3.079 -13.246 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.459 2.943 -10.494 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.311 1.927 -9.460 1.00 0.00 C ATOM 1098 C ALA A 71 -2.447 2.005 -8.445 1.00 0.00 C ATOM 1099 O ALA A 71 -2.927 0.982 -7.958 1.00 0.00 O ATOM 1100 CB ALA A 71 0.033 2.076 -8.762 1.00 0.00 C ATOM 0 H ALA A 71 -0.689 3.610 -10.544 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.354 0.949 -9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.130 1.311 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.836 1.962 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.097 3.063 -8.303 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.871 3.225 -8.132 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.950 3.436 -7.174 1.00 0.00 C ATOM 1108 C GLU A 72 -5.258 2.840 -7.688 1.00 0.00 C ATOM 1109 O GLU A 72 -5.707 1.798 -7.212 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.132 4.929 -6.896 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.384 5.252 -6.099 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.620 5.359 -6.971 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.513 5.912 -8.086 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.693 4.889 -6.540 1.00 0.00 O ATOM 0 H GLU A 72 -2.484 4.082 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.680 2.932 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.261 5.298 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.167 5.465 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.541 4.479 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.238 6.191 -5.565 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.863 3.510 -8.663 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.118 3.047 -9.243 1.00 0.00 C ATOM 1123 C ALA A 73 -7.104 1.536 -9.446 1.00 0.00 C ATOM 1124 O ALA A 73 -8.062 0.845 -9.100 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.383 3.757 -10.562 1.00 0.00 C ATOM 0 H ALA A 73 -5.505 4.375 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.922 3.286 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.323 3.402 -10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.445 4.832 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.571 3.547 -11.258 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.013 1.029 -10.009 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.874 -0.401 -10.257 1.00 0.00 C ATOM 1133 C ALA A 74 -6.178 -1.208 -8.999 1.00 0.00 C ATOM 1134 O ALA A 74 -7.213 -1.867 -8.909 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.474 -0.715 -10.764 1.00 0.00 C ATOM 0 H ALA A 74 -5.212 1.587 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.597 -0.685 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.384 -1.786 -10.945 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.293 -0.174 -11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.740 -0.410 -10.018 1.00 0.00 H new ATOM 1141 N MET A 75 -5.268 -1.152 -8.032 1.00 0.00 N ATOM 1142 CA MET A 75 -5.440 -1.878 -6.779 1.00 0.00 C ATOM 1143 C MET A 75 -6.741 -1.476 -6.092 1.00 0.00 C ATOM 1144 O MET A 75 -7.657 -2.287 -5.953 1.00 0.00 O ATOM 1145 CB MET A 75 -4.256 -1.616 -5.847 1.00 0.00 C ATOM 1146 CG MET A 75 -3.111 -2.600 -6.028 1.00 0.00 C ATOM 1147 SD MET A 75 -3.588 -4.298 -5.654 1.00 0.00 S ATOM 1148 CE MET A 75 -1.982 -5.057 -5.420 1.00 0.00 C ATOM 0 H MET A 75 -4.405 -0.612 -8.092 1.00 0.00 H new ATOM 0 HA MET A 75 -5.485 -2.943 -7.008 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.886 -0.605 -6.018 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.601 -1.658 -4.814 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.750 -2.546 -7.055 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.282 -2.309 -5.383 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.076 -6.140 -5.500 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.294 -4.695 -6.184 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.597 -4.798 -4.433 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.816 -0.221 -5.664 1.00 0.00 N ATOM 1159 CA ASP A 76 -8.006 0.288 -4.992 1.00 0.00 C ATOM 1160 C ASP A 76 -9.268 -0.350 -5.564 1.00 0.00 C ATOM 1161 O ASP A 76 -9.576 -0.191 -6.744 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.082 1.810 -5.127 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.508 2.324 -5.084 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.245 1.950 -4.149 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.887 3.100 -5.986 1.00 0.00 O ATOM 0 H ASP A 76 -6.067 0.463 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.936 0.028 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.508 2.272 -4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.618 2.112 -6.066 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.995 -1.073 -4.718 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.215 -1.725 -5.158 1.00 0.00 C ATOM 1172 C GLY A 77 -10.960 -3.104 -5.733 1.00 0.00 C ATOM 1173 O GLY A 77 -11.580 -3.496 -6.721 1.00 0.00 O ATOM 0 H GLY A 77 -9.761 -1.219 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.903 -1.807 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.703 -1.106 -5.910 1.00 0.00 H new ATOM 1177 N ALA A 78 -10.043 -3.841 -5.115 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.707 -5.184 -5.572 1.00 0.00 C ATOM 1179 C ALA A 78 -9.990 -6.219 -4.488 1.00 0.00 C ATOM 1180 O ALA A 78 -10.347 -5.871 -3.364 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.248 -5.248 -5.997 1.00 0.00 C ATOM 0 H ALA A 78 -9.519 -3.531 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.335 -5.416 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.012 -6.257 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.074 -4.542 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.611 -4.991 -5.151 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.829 -7.492 -4.836 1.00 0.00 N ATOM 1188 CA GLU A 79 -10.069 -8.578 -3.892 1.00 0.00 C ATOM 1189 C GLU A 79 -8.760 -9.256 -3.498 1.00 0.00 C ATOM 1190 O GLU A 79 -8.277 -10.150 -4.194 1.00 0.00 O ATOM 1191 CB GLU A 79 -11.027 -9.606 -4.496 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.183 -10.861 -3.654 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.312 -11.751 -4.137 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.392 -11.215 -4.462 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -12.116 -12.983 -4.189 1.00 0.00 O ATOM 0 H GLU A 79 -9.534 -7.797 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.522 -8.153 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.005 -9.144 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.669 -9.886 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.249 -11.423 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.366 -10.578 -2.617 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.191 -8.824 -2.378 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.937 -9.388 -1.890 1.00 0.00 C ATOM 1204 C LEU A 80 -7.022 -9.697 -0.399 1.00 0.00 C ATOM 1205 O LEU A 80 -7.780 -9.061 0.334 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.782 -8.421 -2.157 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.298 -8.337 -3.605 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.440 -7.098 -3.810 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.524 -9.591 -3.983 1.00 0.00 C ATOM 0 H LEU A 80 -8.578 -8.085 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.754 -10.320 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.088 -7.424 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.939 -8.711 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.170 -8.263 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.105 -7.055 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.026 -6.208 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.574 -7.142 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.188 -9.513 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.660 -9.697 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.169 -10.463 -3.876 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.239 -10.674 0.043 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.224 -11.066 1.448 1.00 0.00 C ATOM 1223 C ASP A 81 -7.644 -11.204 1.989 1.00 0.00 C ATOM 1224 O ASP A 81 -7.905 -10.911 3.155 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.446 -10.042 2.276 1.00 0.00 C ATOM 1226 CG ASP A 81 -3.965 -10.042 1.955 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.615 -10.187 0.764 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -3.155 -9.897 2.893 1.00 0.00 O ATOM 0 H ASP A 81 -5.606 -11.210 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.730 -12.035 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.854 -9.048 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.585 -10.255 3.336 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.557 -11.651 1.133 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.939 -11.818 1.543 1.00 0.00 C ATOM 1235 C GLY A 82 -10.560 -10.524 2.031 1.00 0.00 C ATOM 1236 O GLY A 82 -11.344 -10.524 2.980 1.00 0.00 O ATOM 0 H GLY A 82 -8.365 -11.901 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.520 -12.202 0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.992 -12.564 2.336 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.208 -9.419 1.382 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.734 -8.113 1.757 1.00 0.00 C ATOM 1242 C ARG A 83 -10.471 -7.085 0.660 1.00 0.00 C ATOM 1243 O ARG A 83 -9.894 -7.406 -0.378 1.00 0.00 O ATOM 1244 CB ARG A 83 -10.105 -7.644 3.071 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.830 -8.149 4.308 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.611 -7.227 5.497 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.148 -7.791 6.733 1.00 0.00 N ATOM 1248 CZ ARG A 83 -10.641 -8.863 7.332 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -9.591 -9.483 6.812 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -11.185 -9.316 8.455 1.00 0.00 N ATOM 0 H ARG A 83 -9.561 -9.403 0.594 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.811 -8.208 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.068 -7.977 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.090 -6.554 3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.897 -8.228 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.478 -9.151 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.544 -7.039 5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.085 -6.265 5.302 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.956 -7.337 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.170 -9.137 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.204 -10.306 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.993 -8.841 8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.795 -10.139 8.915 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.901 -5.850 0.898 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.713 -4.776 -0.071 1.00 0.00 C ATOM 1266 C GLU A 84 -9.619 -3.816 0.387 1.00 0.00 C ATOM 1267 O GLU A 84 -9.896 -2.804 1.032 1.00 0.00 O ATOM 1268 CB GLU A 84 -12.022 -4.013 -0.280 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.033 -3.155 -1.534 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.434 -2.756 -1.956 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.077 -1.982 -1.217 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.887 -3.218 -3.024 1.00 0.00 O ATOM 0 H GLU A 84 -11.381 -5.568 1.752 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.407 -5.224 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.844 -4.727 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.205 -3.377 0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.440 -2.257 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.554 -3.701 -2.347 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.376 -4.140 0.049 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.239 -3.307 0.424 1.00 0.00 C ATOM 1281 C LEU A 85 -7.479 -1.851 0.039 1.00 0.00 C ATOM 1282 O LEU A 85 -7.784 -1.546 -1.115 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.963 -3.820 -0.245 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.431 -5.161 0.262 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.303 -5.659 -0.628 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.960 -5.037 1.704 1.00 0.00 C ATOM 0 H LEU A 85 -8.130 -4.974 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.122 -3.362 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.148 -3.907 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.182 -3.070 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.242 -5.888 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.937 -6.614 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.672 -5.787 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.490 -4.933 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.585 -6.001 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.164 -4.295 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.794 -4.726 2.334 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.338 -0.956 1.010 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.539 0.469 0.772 1.00 0.00 C ATOM 1300 C ARG A 86 -6.258 1.121 0.262 1.00 0.00 C ATOM 1301 O ARG A 86 -5.464 1.648 1.041 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.001 1.162 2.056 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.880 2.377 1.809 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.299 1.973 1.443 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.231 3.092 1.548 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.310 4.070 0.652 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -10.517 4.065 -0.410 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -12.184 5.054 0.817 1.00 0.00 N ATOM 0 H ARG A 86 -7.085 -1.192 1.970 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.310 0.579 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.549 0.446 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.126 1.468 2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.897 3.002 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.453 2.979 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.314 1.583 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.626 1.166 2.098 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.856 3.125 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.844 3.309 -0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.579 4.817 -1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.797 5.061 1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.243 5.804 0.128 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.062 1.080 -1.053 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.878 1.667 -1.668 1.00 0.00 C ATOM 1324 C VAL A 87 -5.222 2.960 -2.399 1.00 0.00 C ATOM 1325 O VAL A 87 -5.570 2.942 -3.580 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.217 0.690 -2.658 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.791 1.122 -2.962 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.248 -0.728 -2.108 1.00 0.00 C ATOM 0 H VAL A 87 -6.708 0.646 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.177 1.885 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.782 0.706 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.340 0.420 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.799 2.119 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.211 1.137 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.777 -1.405 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.708 -0.763 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.282 -1.033 -1.947 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.122 4.079 -1.690 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.423 5.382 -2.273 1.00 0.00 C ATOM 1340 C GLN A 88 -4.261 6.350 -2.072 1.00 0.00 C ATOM 1341 O GLN A 88 -3.210 5.975 -1.554 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.697 5.959 -1.654 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.538 6.357 -0.195 1.00 0.00 C ATOM 1344 CD GLN A 88 -7.850 6.329 0.563 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.245 5.297 1.106 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.534 7.467 0.605 1.00 0.00 N ATOM 0 H GLN A 88 -4.835 4.110 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.577 5.246 -3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.007 6.832 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.497 5.223 -1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.830 5.683 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.112 7.359 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.169 8.299 0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.424 7.509 1.102 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.459 7.598 -2.485 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.429 8.620 -2.349 1.00 0.00 C ATOM 1357 C VAL A 89 -3.581 9.383 -1.037 1.00 0.00 C ATOM 1358 O VAL A 89 -4.659 9.884 -0.720 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.473 9.620 -3.519 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.315 10.602 -3.427 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.454 8.884 -4.850 1.00 0.00 C ATOM 0 H VAL A 89 -5.323 7.925 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.469 8.104 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.403 10.185 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.363 11.301 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.379 11.153 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.372 10.057 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.486 9.606 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.542 8.291 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.321 8.226 -4.914 1.00 0.00 H new