USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc=-0.00148 (180deg=-0.187) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 135:sc= -0.0196 (180deg=-0.645) USER MOD Single : A 48 MET CE :methyl -133:sc= -6.05! (180deg=-8!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -173:sc= 0 (180deg=-0.0563) USER MOD Single : A 62 MET CE :methyl -168:sc= -1.13 (180deg=-1.25) USER MOD Single : A 66 THR OG1 : rot 92:sc= 0.754 USER MOD Single : A 69 SER OG : rot 180:sc= -0.235 USER MOD Single : A 70 MET CE :methyl -160:sc= -5.88 (180deg=-8.01!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.585 6.887 -1.308 1.00 0.00 N ATOM 124 CA PRO A 8 -9.094 5.778 -0.482 1.00 0.00 C ATOM 125 C PRO A 8 -8.042 5.385 0.561 1.00 0.00 C ATOM 126 O PRO A 8 -6.958 5.934 0.575 1.00 0.00 O ATOM 127 CB PRO A 8 -9.326 4.652 -1.496 1.00 0.00 C ATOM 128 CG PRO A 8 -8.437 4.972 -2.718 1.00 0.00 C ATOM 129 CD PRO A 8 -8.133 6.479 -2.655 1.00 0.00 C ATOM 0 HA PRO A 8 -9.999 6.023 0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.064 3.684 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.376 4.599 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.516 4.389 -2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.948 4.718 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.070 6.677 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.664 7.025 -3.435 1.00 0.00 H new ATOM 137 N PRO A 9 -8.389 4.448 1.406 1.00 0.00 N ATOM 138 CA PRO A 9 -7.481 3.973 2.463 1.00 0.00 C ATOM 139 C PRO A 9 -6.389 3.081 1.867 1.00 0.00 C ATOM 140 O PRO A 9 -6.628 2.313 0.956 1.00 0.00 O ATOM 141 CB PRO A 9 -8.400 3.189 3.405 1.00 0.00 C ATOM 142 CG PRO A 9 -9.640 2.791 2.571 1.00 0.00 C ATOM 143 CD PRO A 9 -9.705 3.773 1.386 1.00 0.00 C ATOM 0 HA PRO A 9 -6.956 4.778 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.894 2.306 3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.687 3.797 4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.556 1.763 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.547 2.849 3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.871 3.251 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.521 4.486 1.503 1.00 0.00 H new ATOM 151 N ALA A 10 -5.190 3.188 2.370 1.00 0.00 N ATOM 152 CA ALA A 10 -4.073 2.361 1.832 1.00 0.00 C ATOM 153 C ALA A 10 -4.378 0.873 2.028 1.00 0.00 C ATOM 154 O ALA A 10 -3.708 0.018 1.486 1.00 0.00 O ATOM 155 CB ALA A 10 -2.779 2.717 2.566 1.00 0.00 C ATOM 0 H ALA A 10 -4.935 3.815 3.133 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.960 2.563 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.960 2.113 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.555 3.773 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.898 2.519 3.631 1.00 0.00 H new ATOM 161 N ALA A 11 -5.379 0.551 2.796 1.00 0.00 N ATOM 162 CA ALA A 11 -5.707 -0.886 3.012 1.00 0.00 C ATOM 163 C ALA A 11 -6.598 -1.384 1.871 1.00 0.00 C ATOM 164 O ALA A 11 -7.163 -2.457 1.937 1.00 0.00 O ATOM 165 CB ALA A 11 -6.443 -1.048 4.344 1.00 0.00 C ATOM 0 H ALA A 11 -5.982 1.215 3.281 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.786 -1.469 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.683 -2.100 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.807 -0.695 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.364 -0.465 4.324 1.00 0.00 H new ATOM 171 N VAL A 12 -6.737 -0.609 0.829 1.00 0.00 N ATOM 172 CA VAL A 12 -7.598 -1.035 -0.304 1.00 0.00 C ATOM 173 C VAL A 12 -6.797 -0.999 -1.614 1.00 0.00 C ATOM 174 O VAL A 12 -6.939 -1.856 -2.462 1.00 0.00 O ATOM 175 CB VAL A 12 -8.803 -0.089 -0.387 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.458 1.153 -1.214 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.973 -0.819 -1.035 1.00 0.00 C ATOM 0 H VAL A 12 -6.290 0.301 0.716 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.946 -2.056 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.072 0.226 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.325 1.811 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.626 1.681 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.176 0.852 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.831 -0.150 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.691 -1.139 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.235 -1.691 -0.436 1.00 0.00 H new ATOM 187 N LEU A 13 -5.964 -0.007 -1.786 1.00 0.00 N ATOM 188 CA LEU A 13 -5.163 0.087 -3.042 1.00 0.00 C ATOM 189 C LEU A 13 -3.956 -0.850 -2.962 1.00 0.00 C ATOM 190 O LEU A 13 -3.641 -1.551 -3.904 1.00 0.00 O ATOM 191 CB LEU A 13 -4.672 1.524 -3.227 1.00 0.00 C ATOM 192 CG LEU A 13 -5.852 2.429 -3.579 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.406 3.891 -3.525 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.344 2.099 -4.990 1.00 0.00 C ATOM 0 H LEU A 13 -5.804 0.742 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.789 -0.201 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.192 1.875 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.922 1.564 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.660 2.268 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.247 4.537 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.054 4.127 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.599 4.052 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.186 2.744 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.536 2.261 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.661 1.057 -5.030 1.00 0.00 H new ATOM 206 N LEU A 14 -3.274 -0.862 -1.852 1.00 0.00 N ATOM 207 CA LEU A 14 -2.084 -1.749 -1.720 1.00 0.00 C ATOM 208 C LEU A 14 -2.468 -3.179 -2.108 1.00 0.00 C ATOM 209 O LEU A 14 -1.890 -3.765 -3.001 1.00 0.00 O ATOM 210 CB LEU A 14 -1.585 -1.720 -0.274 1.00 0.00 C ATOM 211 CG LEU A 14 -1.255 -0.277 0.116 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.617 -0.253 1.506 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.277 0.316 -0.899 1.00 0.00 C ATOM 0 H LEU A 14 -3.488 -0.297 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.291 -1.398 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.345 -2.125 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.701 -2.349 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.173 0.311 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.383 0.775 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.312 -0.674 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.299 -0.843 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.042 1.343 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.639 -0.275 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.729 0.303 -1.891 1.00 0.00 H new ATOM 225 N LYS A 15 -3.441 -3.744 -1.448 1.00 0.00 N ATOM 226 CA LYS A 15 -3.862 -5.133 -1.788 1.00 0.00 C ATOM 227 C LYS A 15 -4.215 -5.206 -3.276 1.00 0.00 C ATOM 228 O LYS A 15 -4.129 -6.248 -3.895 1.00 0.00 O ATOM 229 CB LYS A 15 -5.087 -5.512 -0.952 1.00 0.00 C ATOM 230 CG LYS A 15 -4.762 -5.353 0.534 1.00 0.00 C ATOM 231 CD LYS A 15 -5.972 -5.776 1.372 1.00 0.00 C ATOM 232 CE LYS A 15 -5.637 -7.050 2.149 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.900 -7.715 2.582 1.00 0.00 N ATOM 0 H LYS A 15 -3.962 -3.305 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.048 -5.825 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.933 -4.879 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.380 -6.541 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.896 -5.961 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.501 -4.317 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.246 -4.978 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.833 -5.948 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.053 -7.726 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.024 -6.809 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.673 -8.581 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.441 -7.069 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.468 -7.959 1.746 1.00 0.00 H new ATOM 247 N LYS A 16 -4.614 -4.105 -3.852 1.00 0.00 N ATOM 248 CA LYS A 16 -4.977 -4.102 -5.299 1.00 0.00 C ATOM 249 C LYS A 16 -3.729 -4.365 -6.146 1.00 0.00 C ATOM 250 O LYS A 16 -3.701 -5.263 -6.965 1.00 0.00 O ATOM 251 CB LYS A 16 -5.564 -2.738 -5.671 1.00 0.00 C ATOM 252 CG LYS A 16 -6.426 -2.876 -6.926 1.00 0.00 C ATOM 253 CD LYS A 16 -6.268 -1.627 -7.795 1.00 0.00 C ATOM 254 CE LYS A 16 -7.355 -1.615 -8.870 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.197 -2.808 -9.749 1.00 0.00 N ATOM 0 H LYS A 16 -4.705 -3.204 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.713 -4.884 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.163 -2.352 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.762 -2.021 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.130 -3.762 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.472 -3.009 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.340 -0.731 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.282 -1.616 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.341 -1.620 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.286 -0.702 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.809 -2.708 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.206 -2.886 -10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.466 -3.664 -9.224 1.00 0.00 H new ATOM 269 N ALA A 17 -2.699 -3.584 -5.961 1.00 0.00 N ATOM 270 CA ALA A 17 -1.452 -3.780 -6.756 1.00 0.00 C ATOM 271 C ALA A 17 -1.139 -5.274 -6.873 1.00 0.00 C ATOM 272 O ALA A 17 -0.578 -5.726 -7.852 1.00 0.00 O ATOM 273 CB ALA A 17 -0.289 -3.071 -6.060 1.00 0.00 C ATOM 0 H ALA A 17 -2.667 -2.816 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.593 -3.363 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.623 -3.213 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.507 -2.006 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.153 -3.488 -5.062 1.00 0.00 H new ATOM 279 N ALA A 18 -1.497 -6.043 -5.883 1.00 0.00 N ATOM 280 CA ALA A 18 -1.219 -7.505 -5.938 1.00 0.00 C ATOM 281 C ALA A 18 -2.403 -8.226 -6.584 1.00 0.00 C ATOM 282 O ALA A 18 -2.376 -8.563 -7.751 1.00 0.00 O ATOM 283 CB ALA A 18 -1.010 -8.036 -4.518 1.00 0.00 C ATOM 0 H ALA A 18 -1.970 -5.722 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.321 -7.683 -6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.806 -9.106 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.166 -7.522 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.909 -7.858 -3.927 1.00 0.00 H new ATOM 289 N GLY A 19 -3.444 -8.466 -5.833 1.00 0.00 N ATOM 290 CA GLY A 19 -4.629 -9.166 -6.405 1.00 0.00 C ATOM 291 C GLY A 19 -5.104 -10.243 -5.429 1.00 0.00 C ATOM 292 O GLY A 19 -5.137 -11.414 -5.749 1.00 0.00 O ATOM 0 H GLY A 19 -3.525 -8.208 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.431 -8.452 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.371 -9.617 -7.363 1.00 0.00 H new ATOM 485 N ALA A 33 1.517 -13.860 -1.658 1.00 0.00 N ATOM 486 CA ALA A 33 1.220 -12.480 -2.136 1.00 0.00 C ATOM 487 C ALA A 33 2.456 -11.594 -1.968 1.00 0.00 C ATOM 488 O ALA A 33 2.694 -11.038 -0.914 1.00 0.00 O ATOM 489 CB ALA A 33 0.062 -11.898 -1.324 1.00 0.00 C ATOM 0 HA ALA A 33 0.946 -12.517 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.156 -10.889 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.821 -12.524 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.337 -11.866 -0.270 1.00 0.00 H new ATOM 495 N THR A 34 3.239 -11.449 -3.000 1.00 0.00 N ATOM 496 CA THR A 34 4.453 -10.590 -2.901 1.00 0.00 C ATOM 497 C THR A 34 4.250 -9.333 -3.749 1.00 0.00 C ATOM 498 O THR A 34 3.822 -9.403 -4.883 1.00 0.00 O ATOM 499 CB THR A 34 5.674 -11.357 -3.414 1.00 0.00 C ATOM 500 OG1 THR A 34 5.247 -12.389 -4.293 1.00 0.00 O ATOM 501 CG2 THR A 34 6.429 -11.966 -2.233 1.00 0.00 C ATOM 0 H THR A 34 3.091 -11.888 -3.909 1.00 0.00 H new ATOM 0 HA THR A 34 4.616 -10.311 -1.860 1.00 0.00 H new ATOM 0 HB THR A 34 6.335 -10.675 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.028 -12.880 -4.624 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.298 -12.512 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.756 -11.172 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.772 -12.649 -1.694 1.00 0.00 H new ATOM 509 N ILE A 35 4.549 -8.184 -3.208 1.00 0.00 N ATOM 510 CA ILE A 35 4.368 -6.928 -3.990 1.00 0.00 C ATOM 511 C ILE A 35 5.723 -6.247 -4.190 1.00 0.00 C ATOM 512 O ILE A 35 6.448 -5.998 -3.248 1.00 0.00 O ATOM 513 CB ILE A 35 3.434 -5.986 -3.231 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.038 -6.610 -3.149 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.348 -4.648 -3.969 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.053 -5.584 -2.587 1.00 0.00 C ATOM 0 H ILE A 35 4.910 -8.060 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 35 3.936 -7.167 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 35 3.822 -5.823 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.715 -6.936 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.060 -7.495 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.682 -3.976 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.341 -4.202 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.960 -4.811 -4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.059 -6.028 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.374 -5.280 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.023 -4.712 -3.241 1.00 0.00 H new ATOM 528 N LYS A 36 6.067 -5.939 -5.411 1.00 0.00 N ATOM 529 CA LYS A 36 7.371 -5.268 -5.667 1.00 0.00 C ATOM 530 C LYS A 36 7.361 -3.884 -5.016 1.00 0.00 C ATOM 531 O LYS A 36 6.323 -3.273 -4.850 1.00 0.00 O ATOM 532 CB LYS A 36 7.589 -5.124 -7.174 1.00 0.00 C ATOM 533 CG LYS A 36 7.690 -6.511 -7.811 1.00 0.00 C ATOM 534 CD LYS A 36 8.657 -6.460 -8.995 1.00 0.00 C ATOM 535 CE LYS A 36 7.874 -6.191 -10.281 1.00 0.00 C ATOM 536 NZ LYS A 36 8.807 -6.196 -11.442 1.00 0.00 N ATOM 0 H LYS A 36 5.502 -6.123 -6.240 1.00 0.00 H new ATOM 0 HA LYS A 36 8.178 -5.866 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.765 -4.567 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.499 -4.556 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.037 -7.236 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.707 -6.842 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.400 -5.678 -8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.199 -7.402 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.104 -6.951 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.365 -5.230 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.274 -6.013 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.526 -5.455 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.273 -7.123 -11.508 1.00 0.00 H new ATOM 550 N ARG A 37 8.508 -3.383 -4.649 1.00 0.00 N ATOM 551 CA ARG A 37 8.567 -2.039 -4.013 1.00 0.00 C ATOM 552 C ARG A 37 8.378 -0.978 -5.091 1.00 0.00 C ATOM 553 O ARG A 37 7.901 0.110 -4.837 1.00 0.00 O ATOM 554 CB ARG A 37 9.934 -1.856 -3.356 1.00 0.00 C ATOM 555 CG ARG A 37 9.763 -1.167 -2.001 1.00 0.00 C ATOM 556 CD ARG A 37 9.199 -2.165 -0.990 1.00 0.00 C ATOM 557 NE ARG A 37 9.903 -2.003 0.313 1.00 0.00 N ATOM 558 CZ ARG A 37 10.853 -2.833 0.651 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.861 -3.033 -0.152 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.793 -3.462 1.792 1.00 0.00 N ATOM 0 H ARG A 37 9.409 -3.848 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 37 7.785 -1.946 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.418 -2.824 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.581 -1.260 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.722 -0.783 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.093 -0.313 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.129 -2.002 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.324 -3.183 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 37 9.643 -1.243 0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.908 -2.541 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.603 -3.681 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.004 -3.306 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.535 -4.110 2.057 1.00 0.00 H new ATOM 574 N ASP A 38 8.755 -1.291 -6.298 1.00 0.00 N ATOM 575 CA ASP A 38 8.606 -0.309 -7.406 1.00 0.00 C ATOM 576 C ASP A 38 7.122 -0.008 -7.629 1.00 0.00 C ATOM 577 O ASP A 38 6.752 1.080 -8.026 1.00 0.00 O ATOM 578 CB ASP A 38 9.207 -0.893 -8.688 1.00 0.00 C ATOM 579 CG ASP A 38 10.135 0.138 -9.332 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.631 1.133 -9.824 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.334 -0.088 -9.324 1.00 0.00 O ATOM 0 H ASP A 38 9.161 -2.188 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 38 9.127 0.613 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.760 -1.804 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.413 -1.167 -9.382 1.00 0.00 H new ATOM 586 N LYS A 39 6.268 -0.962 -7.379 1.00 0.00 N ATOM 587 CA LYS A 39 4.809 -0.729 -7.578 1.00 0.00 C ATOM 588 C LYS A 39 4.212 -0.124 -6.306 1.00 0.00 C ATOM 589 O LYS A 39 3.725 0.989 -6.305 1.00 0.00 O ATOM 590 CB LYS A 39 4.115 -2.058 -7.884 1.00 0.00 C ATOM 591 CG LYS A 39 3.056 -1.846 -8.970 1.00 0.00 C ATOM 592 CD LYS A 39 3.732 -1.361 -10.255 1.00 0.00 C ATOM 593 CE LYS A 39 3.113 -2.076 -11.458 1.00 0.00 C ATOM 594 NZ LYS A 39 3.456 -1.337 -12.706 1.00 0.00 N ATOM 0 H LYS A 39 6.517 -1.893 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 39 4.662 -0.043 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.847 -2.795 -8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.650 -2.454 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.520 -2.777 -9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.319 -1.116 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.611 -0.283 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.803 -1.559 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.483 -3.100 -11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.031 -2.134 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.035 -1.823 -13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.083 -0.368 -12.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.490 -1.304 -12.817 1.00 0.00 H new ATOM 608 N VAL A 40 4.245 -0.850 -5.223 1.00 0.00 N ATOM 609 CA VAL A 40 3.680 -0.317 -3.952 1.00 0.00 C ATOM 610 C VAL A 40 4.143 1.133 -3.762 1.00 0.00 C ATOM 611 O VAL A 40 3.417 1.970 -3.263 1.00 0.00 O ATOM 612 CB VAL A 40 4.150 -1.205 -2.781 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.332 -0.566 -2.038 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.989 -1.407 -1.806 1.00 0.00 C ATOM 0 H VAL A 40 4.639 -1.789 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 40 2.591 -0.330 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 40 4.477 -2.163 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.640 -1.215 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.165 -0.431 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.030 0.403 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.316 -2.034 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.663 -0.440 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.160 -1.891 -2.322 1.00 0.00 H new ATOM 624 N ARG A 41 5.351 1.427 -4.154 1.00 0.00 N ATOM 625 CA ARG A 41 5.875 2.813 -3.996 1.00 0.00 C ATOM 626 C ARG A 41 5.091 3.770 -4.895 1.00 0.00 C ATOM 627 O ARG A 41 4.618 4.798 -4.455 1.00 0.00 O ATOM 628 CB ARG A 41 7.353 2.846 -4.388 1.00 0.00 C ATOM 629 CG ARG A 41 7.882 4.277 -4.263 1.00 0.00 C ATOM 630 CD ARG A 41 8.086 4.869 -5.659 1.00 0.00 C ATOM 631 NE ARG A 41 9.333 4.314 -6.257 1.00 0.00 N ATOM 632 CZ ARG A 41 10.262 5.119 -6.692 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.195 5.537 -5.881 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.258 5.506 -7.937 1.00 0.00 N ATOM 0 H ARG A 41 6.001 0.765 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 41 5.763 3.122 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.926 2.178 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.477 2.489 -5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.179 4.888 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.823 4.281 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.231 4.635 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.151 5.955 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 41 9.460 3.304 -6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.197 5.234 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.922 6.167 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.528 5.179 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.985 6.136 -8.278 1.00 0.00 H new ATOM 648 N GLU A 42 4.952 3.447 -6.153 1.00 0.00 N ATOM 649 CA GLU A 42 4.202 4.349 -7.072 1.00 0.00 C ATOM 650 C GLU A 42 2.831 4.666 -6.470 1.00 0.00 C ATOM 651 O GLU A 42 2.376 5.792 -6.500 1.00 0.00 O ATOM 652 CB GLU A 42 4.018 3.665 -8.429 1.00 0.00 C ATOM 653 CG GLU A 42 3.647 4.715 -9.478 1.00 0.00 C ATOM 654 CD GLU A 42 4.079 4.231 -10.863 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.205 3.777 -10.986 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.277 4.325 -11.779 1.00 0.00 O ATOM 0 H GLU A 42 5.324 2.600 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 42 4.763 5.274 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.936 3.153 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.237 2.907 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.572 4.894 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.132 5.663 -9.245 1.00 0.00 H new ATOM 663 N ILE A 43 2.168 3.687 -5.920 1.00 0.00 N ATOM 664 CA ILE A 43 0.831 3.947 -5.315 1.00 0.00 C ATOM 665 C ILE A 43 0.971 5.025 -4.240 1.00 0.00 C ATOM 666 O ILE A 43 0.363 6.076 -4.317 1.00 0.00 O ATOM 667 CB ILE A 43 0.295 2.659 -4.688 1.00 0.00 C ATOM 668 CG1 ILE A 43 0.041 1.626 -5.788 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.015 2.949 -3.955 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.208 0.257 -5.153 1.00 0.00 C ATOM 0 H ILE A 43 2.492 2.722 -5.863 1.00 0.00 H new ATOM 0 HA ILE A 43 0.137 4.286 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 43 1.028 2.270 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.819 1.922 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.897 1.577 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.394 2.029 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.838 3.686 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.748 3.339 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.389 -0.480 -5.936 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.665 -0.039 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.078 0.312 -4.499 1.00 0.00 H new ATOM 682 N ALA A 44 1.772 4.779 -3.239 1.00 0.00 N ATOM 683 CA ALA A 44 1.955 5.796 -2.166 1.00 0.00 C ATOM 684 C ALA A 44 2.514 7.080 -2.779 1.00 0.00 C ATOM 685 O ALA A 44 2.484 8.134 -2.175 1.00 0.00 O ATOM 686 CB ALA A 44 2.931 5.259 -1.115 1.00 0.00 C ATOM 0 H ALA A 44 2.307 3.919 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 44 0.996 6.007 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.065 6.003 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.531 4.342 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.892 5.049 -1.584 1.00 0.00 H new ATOM 692 N GLU A 45 3.019 7.002 -3.982 1.00 0.00 N ATOM 693 CA GLU A 45 3.572 8.220 -4.638 1.00 0.00 C ATOM 694 C GLU A 45 2.413 9.094 -5.117 1.00 0.00 C ATOM 695 O GLU A 45 2.430 10.300 -4.972 1.00 0.00 O ATOM 696 CB GLU A 45 4.437 7.814 -5.834 1.00 0.00 C ATOM 697 CG GLU A 45 5.042 9.063 -6.475 1.00 0.00 C ATOM 698 CD GLU A 45 4.822 9.019 -7.988 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.241 8.051 -8.600 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.238 9.955 -8.510 1.00 0.00 O ATOM 0 H GLU A 45 3.072 6.148 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 45 4.185 8.775 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.229 7.139 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.835 7.273 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.583 9.958 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.108 9.118 -6.253 1.00 0.00 H new ATOM 707 N LEU A 46 1.401 8.492 -5.679 1.00 0.00 N ATOM 708 CA LEU A 46 0.236 9.285 -6.159 1.00 0.00 C ATOM 709 C LEU A 46 -0.495 9.869 -4.951 1.00 0.00 C ATOM 710 O LEU A 46 -1.049 10.950 -5.007 1.00 0.00 O ATOM 711 CB LEU A 46 -0.714 8.374 -6.940 1.00 0.00 C ATOM 712 CG LEU A 46 -0.696 8.762 -8.420 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.095 7.622 -9.243 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.127 9.030 -8.893 1.00 0.00 C ATOM 0 H LEU A 46 1.331 7.485 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 46 0.578 10.090 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.414 7.333 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.725 8.461 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.093 9.660 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.083 7.901 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.924 7.429 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.697 6.723 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.116 9.307 -9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.729 8.131 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.557 9.844 -8.309 1.00 0.00 H new ATOM 726 N LYS A 47 -0.497 9.160 -3.855 1.00 0.00 N ATOM 727 CA LYS A 47 -1.186 9.665 -2.635 1.00 0.00 C ATOM 728 C LYS A 47 -0.190 10.452 -1.781 1.00 0.00 C ATOM 729 O LYS A 47 -0.429 10.731 -0.624 1.00 0.00 O ATOM 730 CB LYS A 47 -1.726 8.480 -1.831 1.00 0.00 C ATOM 731 CG LYS A 47 -2.915 7.864 -2.571 1.00 0.00 C ATOM 732 CD LYS A 47 -4.215 8.286 -1.885 1.00 0.00 C ATOM 733 CE LYS A 47 -4.986 7.041 -1.442 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.157 6.259 -0.482 1.00 0.00 N ATOM 0 H LYS A 47 -0.049 8.249 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.012 10.315 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.944 7.734 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.032 8.809 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.918 8.189 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.830 6.777 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.996 8.917 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.823 8.879 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.927 7.330 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.235 6.427 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.744 5.964 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.775 5.417 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.372 6.849 -0.140 1.00 0.00 H new ATOM 748 N MET A 48 0.929 10.808 -2.346 1.00 0.00 N ATOM 749 CA MET A 48 1.949 11.573 -1.576 1.00 0.00 C ATOM 750 C MET A 48 1.289 12.777 -0.885 1.00 0.00 C ATOM 751 O MET A 48 1.451 12.966 0.303 1.00 0.00 O ATOM 752 CB MET A 48 3.060 12.025 -2.544 1.00 0.00 C ATOM 753 CG MET A 48 3.448 13.496 -2.315 1.00 0.00 C ATOM 754 SD MET A 48 4.097 13.701 -0.637 1.00 0.00 S ATOM 755 CE MET A 48 5.744 13.022 -0.947 1.00 0.00 C ATOM 0 H MET A 48 1.182 10.601 -3.312 1.00 0.00 H new ATOM 0 HA MET A 48 2.388 10.945 -0.800 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.938 11.392 -2.412 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.723 11.893 -3.572 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.197 13.803 -3.045 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.579 14.138 -2.460 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.999 12.313 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.752 12.513 -1.911 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.475 13.831 -0.958 1.00 0.00 H new ATOM 765 N PRO A 49 0.580 13.564 -1.652 1.00 0.00 N ATOM 766 CA PRO A 49 -0.093 14.766 -1.132 1.00 0.00 C ATOM 767 C PRO A 49 -1.355 14.386 -0.353 1.00 0.00 C ATOM 768 O PRO A 49 -1.904 15.183 0.383 1.00 0.00 O ATOM 769 CB PRO A 49 -0.434 15.563 -2.395 1.00 0.00 C ATOM 770 CG PRO A 49 -0.448 14.547 -3.561 1.00 0.00 C ATOM 771 CD PRO A 49 0.376 13.331 -3.098 1.00 0.00 C ATOM 0 HA PRO A 49 0.522 15.334 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.402 16.053 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.303 16.346 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.469 14.253 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.018 14.985 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.155 12.397 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.325 13.267 -3.629 1.00 0.00 H new ATOM 779 N ASP A 50 -1.814 13.175 -0.500 1.00 0.00 N ATOM 780 CA ASP A 50 -3.033 12.749 0.243 1.00 0.00 C ATOM 781 C ASP A 50 -2.627 11.824 1.394 1.00 0.00 C ATOM 782 O ASP A 50 -3.444 11.121 1.955 1.00 0.00 O ATOM 783 CB ASP A 50 -3.977 12.007 -0.707 1.00 0.00 C ATOM 784 CG ASP A 50 -4.246 12.874 -1.938 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.731 13.980 -1.764 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.962 12.418 -3.033 1.00 0.00 O ATOM 0 H ASP A 50 -1.399 12.463 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.542 13.625 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.535 11.057 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.914 11.776 -0.200 1.00 0.00 H new ATOM 791 N LEU A 51 -1.370 11.823 1.751 1.00 0.00 N ATOM 792 CA LEU A 51 -0.910 10.945 2.867 1.00 0.00 C ATOM 793 C LEU A 51 -0.126 11.779 3.883 1.00 0.00 C ATOM 794 O LEU A 51 0.568 11.250 4.729 1.00 0.00 O ATOM 795 CB LEU A 51 -0.003 9.843 2.315 1.00 0.00 C ATOM 796 CG LEU A 51 -0.805 8.933 1.386 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.155 8.119 0.515 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.666 7.984 2.223 1.00 0.00 C ATOM 0 H LEU A 51 -0.642 12.392 1.318 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.777 10.496 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.834 10.285 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.419 9.261 3.135 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.448 9.539 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.417 7.470 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.769 8.795 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.798 7.512 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.239 7.334 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.024 7.377 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.349 8.564 2.843 1.00 0.00 H new ATOM 810 N ASN A 52 -0.227 13.078 3.807 1.00 0.00 N ATOM 811 CA ASN A 52 0.516 13.939 4.770 1.00 0.00 C ATOM 812 C ASN A 52 1.984 13.508 4.815 1.00 0.00 C ATOM 813 O ASN A 52 2.681 13.748 5.780 1.00 0.00 O ATOM 814 CB ASN A 52 -0.099 13.794 6.164 1.00 0.00 C ATOM 815 CG ASN A 52 -0.856 15.073 6.522 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.460 15.798 7.412 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.938 15.381 5.861 1.00 0.00 N ATOM 0 H ASN A 52 -0.791 13.579 3.121 1.00 0.00 H new ATOM 0 HA ASN A 52 0.452 14.979 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.775 12.940 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.682 13.603 6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.452 16.231 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.270 14.771 5.114 1.00 0.00 H new ATOM 824 N ALA A 53 2.458 12.871 3.779 1.00 0.00 N ATOM 825 CA ALA A 53 3.881 12.426 3.768 1.00 0.00 C ATOM 826 C ALA A 53 4.750 13.516 3.138 1.00 0.00 C ATOM 827 O ALA A 53 4.427 14.058 2.099 1.00 0.00 O ATOM 828 CB ALA A 53 4.007 11.137 2.952 1.00 0.00 C ATOM 0 H ALA A 53 1.923 12.640 2.942 1.00 0.00 H new ATOM 0 HA ALA A 53 4.212 12.242 4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.047 10.812 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.387 10.360 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.676 11.320 1.930 1.00 0.00 H new ATOM 834 N ALA A 54 5.852 13.843 3.757 1.00 0.00 N ATOM 835 CA ALA A 54 6.739 14.898 3.193 1.00 0.00 C ATOM 836 C ALA A 54 7.368 14.394 1.892 1.00 0.00 C ATOM 837 O ALA A 54 7.506 15.127 0.933 1.00 0.00 O ATOM 838 CB ALA A 54 7.845 15.228 4.197 1.00 0.00 C ATOM 0 H ALA A 54 6.176 13.425 4.629 1.00 0.00 H new ATOM 0 HA ALA A 54 6.152 15.794 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.494 16.000 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.399 15.587 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.432 14.332 4.400 1.00 0.00 H new ATOM 844 N SER A 55 7.750 13.148 1.852 1.00 0.00 N ATOM 845 CA SER A 55 8.369 12.598 0.614 1.00 0.00 C ATOM 846 C SER A 55 7.967 11.132 0.451 1.00 0.00 C ATOM 847 O SER A 55 7.163 10.612 1.200 1.00 0.00 O ATOM 848 CB SER A 55 9.891 12.700 0.715 1.00 0.00 C ATOM 849 OG SER A 55 10.272 12.666 2.084 1.00 0.00 O ATOM 0 H SER A 55 7.660 12.487 2.623 1.00 0.00 H new ATOM 0 HA SER A 55 8.023 13.168 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.359 11.877 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.237 13.624 0.252 1.00 0.00 H new ATOM 0 HG SER A 55 11.247 12.729 2.154 1.00 0.00 H new ATOM 855 N ILE A 56 8.518 10.461 -0.521 1.00 0.00 N ATOM 856 CA ILE A 56 8.167 9.029 -0.731 1.00 0.00 C ATOM 857 C ILE A 56 8.606 8.214 0.486 1.00 0.00 C ATOM 858 O ILE A 56 7.899 7.342 0.950 1.00 0.00 O ATOM 859 CB ILE A 56 8.884 8.508 -1.974 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.566 9.417 -3.164 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.415 7.085 -2.277 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.123 9.186 -3.615 1.00 0.00 C ATOM 0 H ILE A 56 9.197 10.843 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 56 7.089 8.934 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 56 9.960 8.503 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.708 10.461 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.252 9.211 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.928 6.714 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.643 6.439 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.339 7.086 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.898 9.834 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.997 8.145 -3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.444 9.415 -2.793 1.00 0.00 H new ATOM 874 N GLU A 57 9.769 8.491 1.008 1.00 0.00 N ATOM 875 CA GLU A 57 10.246 7.733 2.196 1.00 0.00 C ATOM 876 C GLU A 57 9.196 7.827 3.304 1.00 0.00 C ATOM 877 O GLU A 57 9.112 6.978 4.170 1.00 0.00 O ATOM 878 CB GLU A 57 11.568 8.330 2.683 1.00 0.00 C ATOM 879 CG GLU A 57 12.707 7.845 1.785 1.00 0.00 C ATOM 880 CD GLU A 57 13.238 6.510 2.311 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.126 6.279 3.505 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.744 5.740 1.512 1.00 0.00 O ATOM 0 H GLU A 57 10.407 9.208 0.663 1.00 0.00 H new ATOM 0 HA GLU A 57 10.402 6.687 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.516 9.419 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.754 8.035 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.353 7.729 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.508 8.584 1.764 1.00 0.00 H new ATOM 889 N ALA A 58 8.391 8.853 3.278 1.00 0.00 N ATOM 890 CA ALA A 58 7.339 9.007 4.322 1.00 0.00 C ATOM 891 C ALA A 58 6.052 8.321 3.854 1.00 0.00 C ATOM 892 O ALA A 58 5.241 7.893 4.652 1.00 0.00 O ATOM 893 CB ALA A 58 7.069 10.496 4.557 1.00 0.00 C ATOM 0 H ALA A 58 8.416 9.593 2.577 1.00 0.00 H new ATOM 0 HA ALA A 58 7.677 8.548 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.300 10.610 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.985 10.984 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.730 10.955 3.629 1.00 0.00 H new ATOM 899 N ALA A 59 5.856 8.212 2.566 1.00 0.00 N ATOM 900 CA ALA A 59 4.619 7.553 2.055 1.00 0.00 C ATOM 901 C ALA A 59 4.837 6.039 1.991 1.00 0.00 C ATOM 902 O ALA A 59 4.232 5.280 2.725 1.00 0.00 O ATOM 903 CB ALA A 59 4.301 8.082 0.654 1.00 0.00 C ATOM 0 H ALA A 59 6.497 8.550 1.848 1.00 0.00 H new ATOM 0 HA ALA A 59 3.787 7.773 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.397 7.601 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.146 9.160 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.133 7.862 -0.015 1.00 0.00 H new ATOM 909 N MET A 60 5.698 5.592 1.120 1.00 0.00 N ATOM 910 CA MET A 60 5.956 4.130 1.011 1.00 0.00 C ATOM 911 C MET A 60 6.116 3.537 2.411 1.00 0.00 C ATOM 912 O MET A 60 5.783 2.394 2.652 1.00 0.00 O ATOM 913 CB MET A 60 7.240 3.897 0.212 1.00 0.00 C ATOM 914 CG MET A 60 7.364 2.411 -0.124 1.00 0.00 C ATOM 915 SD MET A 60 8.937 1.779 0.513 1.00 0.00 S ATOM 916 CE MET A 60 9.979 2.324 -0.862 1.00 0.00 C ATOM 0 H MET A 60 6.234 6.177 0.479 1.00 0.00 H new ATOM 0 HA MET A 60 5.119 3.650 0.504 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.225 4.488 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.105 4.225 0.789 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.533 1.857 0.314 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.311 2.265 -1.203 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.986 1.926 -0.735 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.561 1.962 -1.801 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.019 3.413 -0.879 1.00 0.00 H new ATOM 926 N ARG A 61 6.624 4.304 3.337 1.00 0.00 N ATOM 927 CA ARG A 61 6.805 3.780 4.720 1.00 0.00 C ATOM 928 C ARG A 61 5.470 3.254 5.243 1.00 0.00 C ATOM 929 O ARG A 61 5.369 2.138 5.711 1.00 0.00 O ATOM 930 CB ARG A 61 7.305 4.901 5.632 1.00 0.00 C ATOM 931 CG ARG A 61 8.687 4.533 6.176 1.00 0.00 C ATOM 932 CD ARG A 61 9.150 5.605 7.163 1.00 0.00 C ATOM 933 NE ARG A 61 10.494 5.241 7.691 1.00 0.00 N ATOM 934 CZ ARG A 61 10.887 5.702 8.846 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.340 6.920 8.943 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.826 4.943 9.905 1.00 0.00 N ATOM 0 H ARG A 61 6.921 5.269 3.196 1.00 0.00 H new ATOM 0 HA ARG A 61 7.536 2.971 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.357 5.839 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.607 5.054 6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.648 3.562 6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.400 4.446 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.191 6.576 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.437 5.694 7.982 1.00 0.00 H new ATOM 0 HE ARG A 61 11.107 4.631 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.387 7.514 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.647 7.279 9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.471 3.990 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.133 5.303 10.809 1.00 0.00 H new ATOM 950 N MET A 62 4.443 4.051 5.162 1.00 0.00 N ATOM 951 CA MET A 62 3.110 3.601 5.650 1.00 0.00 C ATOM 952 C MET A 62 2.614 2.449 4.776 1.00 0.00 C ATOM 953 O MET A 62 1.833 1.624 5.204 1.00 0.00 O ATOM 954 CB MET A 62 2.121 4.765 5.570 1.00 0.00 C ATOM 955 CG MET A 62 2.763 6.018 6.168 1.00 0.00 C ATOM 956 SD MET A 62 1.490 7.274 6.451 1.00 0.00 S ATOM 957 CE MET A 62 2.255 8.596 5.478 1.00 0.00 C ATOM 0 H MET A 62 4.468 4.996 4.779 1.00 0.00 H new ATOM 0 HA MET A 62 3.192 3.265 6.684 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.839 4.947 4.533 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.207 4.518 6.110 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.261 5.772 7.106 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.527 6.405 5.494 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.748 9.539 5.683 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.307 8.684 5.748 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.171 8.362 4.417 1.00 0.00 H new ATOM 967 N ILE A 63 3.064 2.389 3.552 1.00 0.00 N ATOM 968 CA ILE A 63 2.622 1.290 2.644 1.00 0.00 C ATOM 969 C ILE A 63 3.387 0.008 2.984 1.00 0.00 C ATOM 970 O ILE A 63 2.965 -1.081 2.651 1.00 0.00 O ATOM 971 CB ILE A 63 2.897 1.697 1.192 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.823 2.687 0.736 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.865 0.463 0.288 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.113 4.067 1.330 1.00 0.00 C ATOM 0 H ILE A 63 3.719 3.054 3.141 1.00 0.00 H new ATOM 0 HA ILE A 63 1.555 1.110 2.772 1.00 0.00 H new ATOM 0 HB ILE A 63 3.881 2.161 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.805 2.745 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.838 2.343 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.061 0.761 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.627 -0.245 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.883 -0.007 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.347 4.771 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.108 4.003 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.090 4.411 0.991 1.00 0.00 H new ATOM 986 N GLU A 64 4.507 0.122 3.644 1.00 0.00 N ATOM 987 CA GLU A 64 5.278 -1.102 3.996 1.00 0.00 C ATOM 988 C GLU A 64 4.805 -1.617 5.357 1.00 0.00 C ATOM 989 O GLU A 64 4.872 -2.795 5.645 1.00 0.00 O ATOM 990 CB GLU A 64 6.778 -0.775 4.036 1.00 0.00 C ATOM 991 CG GLU A 64 7.152 -0.159 5.388 1.00 0.00 C ATOM 992 CD GLU A 64 7.783 -1.233 6.278 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.777 -1.807 5.866 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.259 -1.464 7.356 1.00 0.00 O ATOM 0 H GLU A 64 4.918 1.003 3.952 1.00 0.00 H new ATOM 0 HA GLU A 64 5.112 -1.874 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.359 -1.682 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.028 -0.083 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.850 0.666 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.266 0.254 5.870 1.00 0.00 H new ATOM 1001 N GLY A 65 4.316 -0.743 6.191 1.00 0.00 N ATOM 1002 CA GLY A 65 3.825 -1.179 7.527 1.00 0.00 C ATOM 1003 C GLY A 65 2.355 -1.583 7.405 1.00 0.00 C ATOM 1004 O GLY A 65 1.866 -2.420 8.136 1.00 0.00 O ATOM 0 H GLY A 65 4.235 0.257 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.418 -2.018 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.936 -0.372 8.251 1.00 0.00 H new ATOM 1008 N THR A 66 1.653 -0.993 6.477 1.00 0.00 N ATOM 1009 CA THR A 66 0.216 -1.337 6.290 1.00 0.00 C ATOM 1010 C THR A 66 0.097 -2.495 5.299 1.00 0.00 C ATOM 1011 O THR A 66 -0.791 -3.318 5.396 1.00 0.00 O ATOM 1012 CB THR A 66 -0.535 -0.118 5.744 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.417 0.959 6.662 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.012 -0.467 5.553 1.00 0.00 C ATOM 0 H THR A 66 2.015 -0.285 5.838 1.00 0.00 H new ATOM 0 HA THR A 66 -0.216 -1.630 7.247 1.00 0.00 H new ATOM 0 HB THR A 66 -0.106 0.172 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.365 1.503 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.544 0.402 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.102 -1.293 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.444 -0.759 6.510 1.00 0.00 H new ATOM 1022 N ALA A 67 0.987 -2.569 4.344 1.00 0.00 N ATOM 1023 CA ALA A 67 0.916 -3.679 3.355 1.00 0.00 C ATOM 1024 C ALA A 67 1.740 -4.864 3.863 1.00 0.00 C ATOM 1025 O ALA A 67 2.099 -5.752 3.115 1.00 0.00 O ATOM 1026 CB ALA A 67 1.468 -3.205 2.008 1.00 0.00 C ATOM 0 H ALA A 67 1.755 -1.912 4.208 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.122 -3.987 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.415 -4.020 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.877 -2.363 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.506 -2.895 2.129 1.00 0.00 H new ATOM 1032 N ARG A 68 2.039 -4.886 5.134 1.00 0.00 N ATOM 1033 CA ARG A 68 2.834 -6.015 5.695 1.00 0.00 C ATOM 1034 C ARG A 68 2.058 -6.659 6.844 1.00 0.00 C ATOM 1035 O ARG A 68 2.066 -7.862 7.014 1.00 0.00 O ATOM 1036 CB ARG A 68 4.176 -5.493 6.213 1.00 0.00 C ATOM 1037 CG ARG A 68 5.102 -6.672 6.513 1.00 0.00 C ATOM 1038 CD ARG A 68 6.557 -6.211 6.419 1.00 0.00 C ATOM 1039 NE ARG A 68 7.445 -7.394 6.244 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.675 -7.356 6.678 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.914 -7.327 7.960 1.00 0.00 N ATOM 1042 NH2 ARG A 68 9.667 -7.347 5.829 1.00 0.00 N ATOM 0 H ARG A 68 1.767 -4.170 5.808 1.00 0.00 H new ATOM 0 HA ARG A 68 3.013 -6.755 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.633 -4.837 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.024 -4.899 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.897 -7.066 7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.919 -7.482 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.678 -5.525 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.835 -5.665 7.320 1.00 0.00 H new ATOM 0 HE ARG A 68 7.092 -8.234 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.139 -7.334 8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.876 -7.297 8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.480 -7.370 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.628 -7.317 6.168 1.00 0.00 H new ATOM 1056 N SER A 69 1.386 -5.866 7.633 1.00 0.00 N ATOM 1057 CA SER A 69 0.606 -6.434 8.769 1.00 0.00 C ATOM 1058 C SER A 69 -0.748 -6.930 8.257 1.00 0.00 C ATOM 1059 O SER A 69 -1.535 -7.488 8.997 1.00 0.00 O ATOM 1060 CB SER A 69 0.387 -5.352 9.827 1.00 0.00 C ATOM 1061 OG SER A 69 -0.860 -5.571 10.473 1.00 0.00 O ATOM 0 H SER A 69 1.343 -4.851 7.540 1.00 0.00 H new ATOM 0 HA SER A 69 1.155 -7.266 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.196 -5.372 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.401 -4.366 9.363 1.00 0.00 H new ATOM 0 HG SER A 69 -1.002 -4.880 11.153 1.00 0.00 H new ATOM 1067 N MET A 70 -1.027 -6.734 6.996 1.00 0.00 N ATOM 1068 CA MET A 70 -2.329 -7.197 6.440 1.00 0.00 C ATOM 1069 C MET A 70 -2.177 -8.622 5.900 1.00 0.00 C ATOM 1070 O MET A 70 -3.116 -9.390 5.882 1.00 0.00 O ATOM 1071 CB MET A 70 -2.767 -6.263 5.309 1.00 0.00 C ATOM 1072 CG MET A 70 -3.608 -5.123 5.886 1.00 0.00 C ATOM 1073 SD MET A 70 -5.036 -4.824 4.816 1.00 0.00 S ATOM 1074 CE MET A 70 -4.114 -4.328 3.340 1.00 0.00 C ATOM 0 H MET A 70 -0.409 -6.273 6.328 1.00 0.00 H new ATOM 0 HA MET A 70 -3.083 -7.187 7.227 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.893 -5.861 4.796 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.345 -6.817 4.569 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.941 -5.376 6.892 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.006 -4.218 5.968 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.769 -3.766 2.674 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.270 -3.703 3.631 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.747 -5.216 2.825 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.999 -8.983 5.466 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.796 -10.364 4.936 1.00 0.00 C ATOM 1086 C GLY A 71 0.026 -10.322 3.644 1.00 0.00 C ATOM 1087 O GLY A 71 0.324 -11.343 3.057 1.00 0.00 O ATOM 0 H GLY A 71 -0.172 -8.386 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.285 -10.975 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.761 -10.833 4.746 1.00 0.00 H new ATOM 1091 N ILE A 72 0.396 -9.154 3.192 1.00 0.00 N ATOM 1092 CA ILE A 72 1.195 -9.065 1.936 1.00 0.00 C ATOM 1093 C ILE A 72 2.633 -8.660 2.265 1.00 0.00 C ATOM 1094 O ILE A 72 2.883 -7.955 3.222 1.00 0.00 O ATOM 1095 CB ILE A 72 0.584 -8.012 1.012 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.827 -8.438 0.606 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.450 -7.867 -0.240 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.700 -7.194 0.432 1.00 0.00 C ATOM 0 H ILE A 72 0.181 -8.261 3.636 1.00 0.00 H new ATOM 0 HA ILE A 72 1.190 -10.037 1.444 1.00 0.00 H new ATOM 0 HB ILE A 72 0.537 -7.058 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.794 -9.006 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.254 -9.093 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.014 -7.116 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.455 -7.559 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.499 -8.823 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.707 -7.494 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.741 -6.644 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.274 -6.556 -0.343 1.00 0.00 H new ATOM 1110 N VAL A 73 3.578 -9.088 1.474 1.00 0.00 N ATOM 1111 CA VAL A 73 4.993 -8.711 1.738 1.00 0.00 C ATOM 1112 C VAL A 73 5.430 -7.670 0.701 1.00 0.00 C ATOM 1113 O VAL A 73 4.684 -7.331 -0.197 1.00 0.00 O ATOM 1114 CB VAL A 73 5.883 -9.966 1.666 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.445 -10.160 0.253 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.042 -9.822 2.654 1.00 0.00 C ATOM 0 H VAL A 73 3.431 -9.682 0.658 1.00 0.00 H new ATOM 0 HA VAL A 73 5.090 -8.280 2.735 1.00 0.00 H new ATOM 0 HB VAL A 73 5.276 -10.835 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.070 -11.053 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.623 -10.274 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.043 -9.291 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.674 -10.709 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.632 -8.942 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.647 -9.713 3.664 1.00 0.00 H new ATOM 1126 N VAL A 74 6.624 -7.160 0.812 1.00 0.00 N ATOM 1127 CA VAL A 74 7.086 -6.146 -0.175 1.00 0.00 C ATOM 1128 C VAL A 74 8.594 -6.307 -0.404 1.00 0.00 C ATOM 1129 O VAL A 74 9.373 -6.339 0.529 1.00 0.00 O ATOM 1130 CB VAL A 74 6.748 -4.736 0.356 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.978 -4.067 0.984 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.237 -3.871 -0.798 1.00 0.00 C ATOM 0 H VAL A 74 7.297 -7.400 1.540 1.00 0.00 H new ATOM 0 HA VAL A 74 6.580 -6.287 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 74 5.982 -4.834 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.707 -3.076 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.337 -4.673 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.765 -3.976 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.997 -2.874 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.007 -3.797 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.342 -4.325 -1.224 1.00 0.00 H new ATOM 1142 N GLU A 75 9.012 -6.409 -1.637 1.00 0.00 N ATOM 1143 CA GLU A 75 10.467 -6.565 -1.917 1.00 0.00 C ATOM 1144 C GLU A 75 10.812 -5.869 -3.235 1.00 0.00 C ATOM 1145 O GLU A 75 9.997 -5.774 -4.131 1.00 0.00 O ATOM 1146 CB GLU A 75 10.813 -8.055 -2.014 1.00 0.00 C ATOM 1147 CG GLU A 75 10.308 -8.620 -3.344 1.00 0.00 C ATOM 1148 CD GLU A 75 9.891 -10.080 -3.154 1.00 0.00 C ATOM 1149 OE1 GLU A 75 9.690 -10.474 -2.017 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.781 -10.778 -4.148 1.00 0.00 O ATOM 0 H GLU A 75 8.410 -6.391 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 75 11.043 -6.113 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.891 -8.193 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.361 -8.597 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.462 -8.033 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.089 -8.550 -4.101 1.00 0.00 H new ATOM 1157 N ASP A 76 12.016 -5.380 -3.360 1.00 0.00 N ATOM 1158 CA ASP A 76 12.414 -4.690 -4.619 1.00 0.00 C ATOM 1159 C ASP A 76 12.605 -5.725 -5.730 1.00 0.00 C ATOM 1160 O ASP A 76 12.496 -6.905 -5.439 1.00 0.00 O ATOM 1161 CB ASP A 76 13.726 -3.936 -4.392 1.00 0.00 C ATOM 1162 CG ASP A 76 13.578 -2.494 -4.879 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.851 -2.251 -6.043 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.193 -1.655 -4.080 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.857 -5.319 -6.852 1.00 0.00 O ATOM 0 H ASP A 76 12.741 -5.429 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 76 11.635 -3.985 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.986 -3.948 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.538 -4.430 -4.926 1.00 0.00 H new