USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= 0.154 K(o=-1.3,f=-3.1!) USER MOD Set 1.2: A 77 GLN : amide:sc= -1.49 K(o=-1.3,f=-3.1) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.907 K(o=1.8,f=-11!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -119:sc= 0.864 (180deg=0.178) USER MOD Single : A 18 THR OG1 : rot 27:sc= -1.69! USER MOD Single : A 23 MET CE :methyl 156:sc= -1.57 (180deg=-3.22!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc=-0.00721 (180deg=-0.0741) USER MOD Single : A 39 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.0645 (180deg=-0.339) USER MOD Single : A 42 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.29) USER MOD Single : A 51 MET CE :methyl 138:sc= -3.74! (180deg=-9.04!) USER MOD Single : A 55 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.3) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 138:sc= -2.34! (180deg=-6.97!) USER MOD Single : A 84 MET CE :methyl -162:sc= -0.0788 (180deg=-0.488) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -2.395 -8.266 -3.080 1.00 0.00 N ATOM 166 CA THR A 18 -3.613 -7.483 -3.162 1.00 0.00 C ATOM 167 C THR A 18 -3.267 -6.038 -3.476 1.00 0.00 C ATOM 168 O THR A 18 -2.442 -5.443 -2.797 1.00 0.00 O ATOM 169 CB THR A 18 -4.389 -7.554 -1.837 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.599 -8.924 -1.498 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.731 -6.836 -1.926 1.00 0.00 C ATOM 0 HA THR A 18 -4.240 -7.890 -3.955 1.00 0.00 H new ATOM 0 HB THR A 18 -3.800 -7.055 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.892 -9.472 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.247 -6.910 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.567 -5.786 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.340 -7.298 -2.703 1.00 0.00 H new ATOM 179 N VAL A 19 -3.876 -5.490 -4.515 1.00 0.00 N ATOM 180 CA VAL A 19 -3.598 -4.120 -4.908 1.00 0.00 C ATOM 181 C VAL A 19 -4.887 -3.318 -5.078 1.00 0.00 C ATOM 182 O VAL A 19 -5.784 -3.699 -5.833 1.00 0.00 O ATOM 183 CB VAL A 19 -2.750 -4.056 -6.206 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.411 -4.821 -7.344 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.490 -2.613 -6.613 1.00 0.00 C ATOM 0 H VAL A 19 -4.562 -5.970 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.017 -3.671 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.793 -4.534 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.789 -4.754 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.527 -5.867 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.391 -4.390 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.894 -2.594 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.440 -2.108 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.950 -2.102 -5.816 1.00 0.00 H new ATOM 195 N GLN A 20 -4.983 -2.224 -4.340 1.00 0.00 N ATOM 196 CA GLN A 20 -6.103 -1.307 -4.471 1.00 0.00 C ATOM 197 C GLN A 20 -5.593 0.047 -4.941 1.00 0.00 C ATOM 198 O GLN A 20 -4.818 0.697 -4.241 1.00 0.00 O ATOM 199 CB GLN A 20 -6.853 -1.175 -3.137 1.00 0.00 C ATOM 200 CG GLN A 20 -7.418 -2.496 -2.628 1.00 0.00 C ATOM 201 CD GLN A 20 -8.073 -2.399 -1.257 1.00 0.00 C ATOM 202 OE1 GLN A 20 -8.047 -3.354 -0.481 1.00 0.00 O ATOM 203 NE2 GLN A 20 -8.688 -1.267 -0.955 1.00 0.00 N ATOM 0 H GLN A 20 -4.294 -1.949 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.804 -1.699 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.177 -0.765 -2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.668 -0.461 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.151 -2.867 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.614 -3.231 -2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.691 -0.495 -1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.159 -1.167 -0.056 1.00 0.00 H new ATOM 212 N GLU A 21 -5.992 0.453 -6.141 1.00 0.00 N ATOM 213 CA GLU A 21 -5.536 1.717 -6.701 1.00 0.00 C ATOM 214 C GLU A 21 -6.447 2.860 -6.299 1.00 0.00 C ATOM 215 O GLU A 21 -7.624 2.890 -6.652 1.00 0.00 O ATOM 216 CB GLU A 21 -5.425 1.640 -8.221 1.00 0.00 C ATOM 217 CG GLU A 21 -4.213 0.856 -8.676 1.00 0.00 C ATOM 218 CD GLU A 21 -3.971 0.925 -10.167 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.760 0.336 -10.933 1.00 0.00 O ATOM 220 OE2 GLU A 21 -2.979 1.558 -10.581 1.00 0.00 O ATOM 0 H GLU A 21 -6.627 -0.073 -6.741 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.544 1.911 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.325 1.177 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.375 2.649 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.332 1.231 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.335 -0.187 -8.384 1.00 0.00 H new ATOM 227 N ILE A 22 -5.890 3.791 -5.543 1.00 0.00 N ATOM 228 CA ILE A 22 -6.635 4.950 -5.090 1.00 0.00 C ATOM 229 C ILE A 22 -6.328 6.139 -5.987 1.00 0.00 C ATOM 230 O ILE A 22 -5.259 6.201 -6.595 1.00 0.00 O ATOM 231 CB ILE A 22 -6.286 5.324 -3.629 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.168 4.065 -2.762 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.340 6.260 -3.054 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.443 3.248 -2.669 1.00 0.00 C ATOM 0 H ILE A 22 -4.920 3.765 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.694 4.697 -5.137 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.324 5.836 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.375 3.434 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.864 4.358 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.080 6.513 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.384 7.170 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.312 5.768 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.271 2.376 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.236 3.859 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.739 2.921 -3.666 1.00 0.00 H new ATOM 246 N MET A 23 -7.271 7.061 -6.084 1.00 0.00 N ATOM 247 CA MET A 23 -7.069 8.297 -6.813 1.00 0.00 C ATOM 248 C MET A 23 -6.910 9.423 -5.816 1.00 0.00 C ATOM 249 O MET A 23 -7.893 10.020 -5.376 1.00 0.00 O ATOM 250 CB MET A 23 -8.255 8.576 -7.730 1.00 0.00 C ATOM 251 CG MET A 23 -8.436 7.558 -8.847 1.00 0.00 C ATOM 252 SD MET A 23 -7.526 7.968 -10.358 1.00 0.00 S ATOM 253 CE MET A 23 -5.819 7.797 -9.840 1.00 0.00 C ATOM 0 H MET A 23 -8.195 6.972 -5.660 1.00 0.00 H new ATOM 0 HA MET A 23 -6.175 8.215 -7.431 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.164 8.605 -7.130 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.133 9.565 -8.172 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.111 6.580 -8.492 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.497 7.475 -9.083 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.193 7.597 -10.710 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.490 8.719 -9.360 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.734 6.971 -9.134 1.00 0.00 H new ATOM 263 N ILE A 24 -5.675 9.686 -5.440 1.00 0.00 N ATOM 264 CA ILE A 24 -5.391 10.649 -4.394 1.00 0.00 C ATOM 265 C ILE A 24 -5.561 12.074 -4.897 1.00 0.00 C ATOM 266 O ILE A 24 -4.976 12.454 -5.910 1.00 0.00 O ATOM 267 CB ILE A 24 -3.966 10.463 -3.832 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.807 9.057 -3.248 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.651 11.523 -2.786 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.910 8.676 -2.283 1.00 0.00 C ATOM 0 H ILE A 24 -4.849 9.245 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.108 10.472 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.255 10.581 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.783 8.334 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.847 8.991 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.641 11.370 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.722 12.512 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.364 11.447 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.733 7.668 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.921 9.377 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.871 8.709 -2.797 1.00 0.00 H new ATOM 282 N PRO A 25 -6.387 12.865 -4.188 1.00 0.00 N ATOM 283 CA PRO A 25 -6.615 14.273 -4.507 1.00 0.00 C ATOM 284 C PRO A 25 -5.307 15.023 -4.732 1.00 0.00 C ATOM 285 O PRO A 25 -4.395 14.959 -3.905 1.00 0.00 O ATOM 286 CB PRO A 25 -7.330 14.798 -3.264 1.00 0.00 C ATOM 287 CG PRO A 25 -8.053 13.616 -2.725 1.00 0.00 C ATOM 288 CD PRO A 25 -7.174 12.432 -3.017 1.00 0.00 C ATOM 0 HA PRO A 25 -7.183 14.406 -5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.622 15.196 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.019 15.605 -3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.228 13.719 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.029 13.505 -3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.532 12.190 -2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.762 11.541 -3.236 1.00 0.00 H new ATOM 296 N ALA A 26 -5.233 15.735 -5.851 1.00 0.00 N ATOM 297 CA ALA A 26 -3.999 16.388 -6.285 1.00 0.00 C ATOM 298 C ALA A 26 -3.472 17.387 -5.258 1.00 0.00 C ATOM 299 O ALA A 26 -2.276 17.676 -5.228 1.00 0.00 O ATOM 300 CB ALA A 26 -4.216 17.071 -7.628 1.00 0.00 C ATOM 0 H ALA A 26 -6.022 15.877 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.241 15.612 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.292 17.555 -7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.509 16.329 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.003 17.819 -7.533 1.00 0.00 H new ATOM 306 N GLY A 27 -4.358 17.904 -4.418 1.00 0.00 N ATOM 307 CA GLY A 27 -3.949 18.868 -3.413 1.00 0.00 C ATOM 308 C GLY A 27 -3.676 18.230 -2.062 1.00 0.00 C ATOM 309 O GLY A 27 -3.288 18.911 -1.114 1.00 0.00 O ATOM 0 H GLY A 27 -5.352 17.674 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.051 19.383 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.727 19.623 -3.302 1.00 0.00 H new ATOM 313 N LYS A 28 -3.878 16.919 -1.968 1.00 0.00 N ATOM 314 CA LYS A 28 -3.661 16.197 -0.718 1.00 0.00 C ATOM 315 C LYS A 28 -2.533 15.178 -0.851 1.00 0.00 C ATOM 316 O LYS A 28 -2.419 14.249 -0.050 1.00 0.00 O ATOM 317 CB LYS A 28 -4.947 15.492 -0.270 1.00 0.00 C ATOM 318 CG LYS A 28 -5.708 16.239 0.813 1.00 0.00 C ATOM 319 CD LYS A 28 -6.402 17.480 0.275 1.00 0.00 C ATOM 320 CE LYS A 28 -7.571 17.122 -0.629 1.00 0.00 C ATOM 321 NZ LYS A 28 -8.366 18.318 -1.009 1.00 0.00 N ATOM 0 H LYS A 28 -4.192 16.335 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.374 16.930 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.598 15.360 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.696 14.496 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.449 15.575 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.019 16.526 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.758 18.088 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.686 18.086 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.197 16.634 -1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.216 16.404 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.153 18.030 -1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.744 18.770 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.758 18.992 -1.516 1.00 0.00 H new ATOM 335 N ALA A 29 -1.689 15.365 -1.854 1.00 0.00 N ATOM 336 CA ALA A 29 -0.588 14.444 -2.104 1.00 0.00 C ATOM 337 C ALA A 29 0.546 14.659 -1.105 1.00 0.00 C ATOM 338 O ALA A 29 1.368 13.772 -0.882 1.00 0.00 O ATOM 339 CB ALA A 29 -0.082 14.598 -3.530 1.00 0.00 C ATOM 0 H ALA A 29 -1.744 16.145 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.960 13.428 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.740 13.903 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.891 14.382 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.267 15.619 -3.684 1.00 0.00 H new ATOM 345 N GLY A 30 0.571 15.835 -0.490 1.00 0.00 N ATOM 346 CA GLY A 30 1.616 16.158 0.460 1.00 0.00 C ATOM 347 C GLY A 30 1.515 15.350 1.737 1.00 0.00 C ATOM 348 O GLY A 30 2.474 15.249 2.493 1.00 0.00 O ATOM 0 H GLY A 30 -0.118 16.573 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.588 15.981 -0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.566 17.220 0.702 1.00 0.00 H new ATOM 352 N LEU A 31 0.354 14.764 1.979 1.00 0.00 N ATOM 353 CA LEU A 31 0.137 14.002 3.197 1.00 0.00 C ATOM 354 C LEU A 31 0.417 12.517 2.987 1.00 0.00 C ATOM 355 O LEU A 31 0.988 11.862 3.858 1.00 0.00 O ATOM 356 CB LEU A 31 -1.288 14.219 3.705 1.00 0.00 C ATOM 357 CG LEU A 31 -1.594 15.655 4.133 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.031 15.777 4.618 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.621 16.104 5.216 1.00 0.00 C ATOM 0 H LEU A 31 -0.449 14.801 1.351 1.00 0.00 H new ATOM 0 HA LEU A 31 0.839 14.361 3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.988 13.929 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.464 13.555 4.551 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.472 16.306 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.228 16.806 4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.711 15.497 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.185 15.115 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.851 17.128 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.712 15.448 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.398 16.058 4.832 1.00 0.00 H new ATOM 371 N VAL A 32 0.031 11.995 1.827 1.00 0.00 N ATOM 372 CA VAL A 32 0.261 10.588 1.512 1.00 0.00 C ATOM 373 C VAL A 32 1.745 10.309 1.292 1.00 0.00 C ATOM 374 O VAL A 32 2.240 9.234 1.620 1.00 0.00 O ATOM 375 CB VAL A 32 -0.534 10.125 0.273 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.996 9.898 0.622 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.415 11.135 -0.854 1.00 0.00 C ATOM 0 H VAL A 32 -0.441 12.522 1.092 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.092 10.022 2.374 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.108 9.180 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.536 9.572 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.071 9.132 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.431 10.827 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.984 10.787 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.809 12.096 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.633 11.248 -1.132 1.00 0.00 H new ATOM 387 N ILE A 33 2.447 11.282 0.732 1.00 0.00 N ATOM 388 CA ILE A 33 3.881 11.157 0.531 1.00 0.00 C ATOM 389 C ILE A 33 4.620 11.549 1.806 1.00 0.00 C ATOM 390 O ILE A 33 5.544 10.863 2.253 1.00 0.00 O ATOM 391 CB ILE A 33 4.369 12.047 -0.631 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.592 11.732 -1.911 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.864 11.857 -0.855 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.853 12.716 -3.029 1.00 0.00 C ATOM 0 H ILE A 33 2.048 12.164 0.410 1.00 0.00 H new ATOM 0 HA ILE A 33 4.091 10.117 0.281 1.00 0.00 H new ATOM 0 HB ILE A 33 4.189 13.089 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.855 10.730 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.525 11.723 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.192 12.492 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.405 12.129 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.066 10.814 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.271 12.433 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.563 13.717 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.914 12.709 -3.280 1.00 0.00 H new ATOM 406 N GLY A 34 4.185 12.648 2.395 1.00 0.00 N ATOM 407 CA GLY A 34 4.817 13.156 3.586 1.00 0.00 C ATOM 408 C GLY A 34 5.379 14.536 3.363 1.00 0.00 C ATOM 409 O GLY A 34 5.261 15.092 2.271 1.00 0.00 O ATOM 0 H GLY A 34 3.396 13.202 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.093 13.183 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.616 12.481 3.892 1.00 0.00 H new ATOM 413 N LYS A 35 6.003 15.091 4.383 1.00 0.00 N ATOM 414 CA LYS A 35 6.550 16.433 4.283 1.00 0.00 C ATOM 415 C LYS A 35 7.858 16.383 3.504 1.00 0.00 C ATOM 416 O LYS A 35 8.241 17.341 2.827 1.00 0.00 O ATOM 417 CB LYS A 35 6.771 17.026 5.677 1.00 0.00 C ATOM 418 CG LYS A 35 5.623 16.769 6.648 1.00 0.00 C ATOM 419 CD LYS A 35 4.275 17.203 6.092 1.00 0.00 C ATOM 420 CE LYS A 35 3.158 17.012 7.110 1.00 0.00 C ATOM 421 NZ LYS A 35 2.962 15.582 7.478 1.00 0.00 N ATOM 0 H LYS A 35 6.144 14.638 5.286 1.00 0.00 H new ATOM 0 HA LYS A 35 5.844 17.075 3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.688 16.611 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.921 18.102 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.587 15.706 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.815 17.301 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.323 18.251 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.050 16.629 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.386 17.587 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.228 17.410 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.109 15.488 8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.852 15.013 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.788 15.245 8.012 1.00 0.00 H new ATOM 435 N GLY A 36 8.534 15.249 3.610 1.00 0.00 N ATOM 436 CA GLY A 36 9.748 15.027 2.860 1.00 0.00 C ATOM 437 C GLY A 36 9.858 13.592 2.397 1.00 0.00 C ATOM 438 O GLY A 36 10.940 13.127 2.039 1.00 0.00 O ATOM 0 H GLY A 36 8.258 14.472 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.770 15.692 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.610 15.278 3.478 1.00 0.00 H new ATOM 442 N GLY A 37 8.735 12.884 2.421 1.00 0.00 N ATOM 443 CA GLY A 37 8.713 11.502 1.977 1.00 0.00 C ATOM 444 C GLY A 37 8.860 10.513 3.116 1.00 0.00 C ATOM 445 O GLY A 37 8.863 9.302 2.898 1.00 0.00 O ATOM 0 H GLY A 37 7.836 13.244 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.777 11.309 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.518 11.344 1.259 1.00 0.00 H new ATOM 449 N GLU A 38 8.970 11.020 4.338 1.00 0.00 N ATOM 450 CA GLU A 38 9.139 10.160 5.507 1.00 0.00 C ATOM 451 C GLU A 38 7.866 9.367 5.786 1.00 0.00 C ATOM 452 O GLU A 38 7.925 8.210 6.201 1.00 0.00 O ATOM 453 CB GLU A 38 9.545 10.983 6.746 1.00 0.00 C ATOM 454 CG GLU A 38 8.455 11.898 7.306 1.00 0.00 C ATOM 455 CD GLU A 38 7.917 12.875 6.281 1.00 0.00 C ATOM 456 OE1 GLU A 38 8.725 13.553 5.626 1.00 0.00 O ATOM 457 OE2 GLU A 38 6.683 12.945 6.107 1.00 0.00 O ATOM 0 H GLU A 38 8.946 12.018 4.547 1.00 0.00 H new ATOM 0 HA GLU A 38 9.942 9.456 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.859 10.296 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.412 11.592 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.635 11.288 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.855 12.454 8.154 1.00 0.00 H new ATOM 464 N THR A 39 6.721 9.989 5.526 1.00 0.00 N ATOM 465 CA THR A 39 5.436 9.369 5.793 1.00 0.00 C ATOM 466 C THR A 39 5.254 8.109 4.952 1.00 0.00 C ATOM 467 O THR A 39 5.042 7.027 5.494 1.00 0.00 O ATOM 468 CB THR A 39 4.273 10.348 5.526 1.00 0.00 C ATOM 469 OG1 THR A 39 4.453 11.537 6.309 1.00 0.00 O ATOM 470 CG2 THR A 39 2.932 9.713 5.869 1.00 0.00 C ATOM 0 H THR A 39 6.661 10.927 5.129 1.00 0.00 H new ATOM 0 HA THR A 39 5.421 9.095 6.848 1.00 0.00 H new ATOM 0 HB THR A 39 4.275 10.598 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.269 11.998 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.131 10.425 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.785 8.822 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.919 9.436 6.923 1.00 0.00 H new ATOM 478 N ILE A 40 5.384 8.242 3.632 1.00 0.00 N ATOM 479 CA ILE A 40 5.158 7.111 2.726 1.00 0.00 C ATOM 480 C ILE A 40 6.115 5.951 3.021 1.00 0.00 C ATOM 481 O ILE A 40 5.746 4.782 2.897 1.00 0.00 O ATOM 482 CB ILE A 40 5.280 7.528 1.240 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.025 6.330 0.315 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.643 8.144 0.954 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.191 6.643 -1.158 1.00 0.00 C ATOM 0 H ILE A 40 5.642 9.113 3.167 1.00 0.00 H new ATOM 0 HA ILE A 40 4.137 6.773 2.904 1.00 0.00 H new ATOM 0 HB ILE A 40 4.519 8.283 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.708 5.524 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.014 5.961 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.701 8.428 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.781 9.028 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.425 7.418 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.994 5.746 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.489 7.426 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.210 6.983 -1.345 1.00 0.00 H new ATOM 497 N LYS A 41 7.331 6.275 3.432 1.00 0.00 N ATOM 498 CA LYS A 41 8.319 5.257 3.754 1.00 0.00 C ATOM 499 C LYS A 41 7.925 4.545 5.048 1.00 0.00 C ATOM 500 O LYS A 41 8.049 3.328 5.165 1.00 0.00 O ATOM 501 CB LYS A 41 9.710 5.896 3.878 1.00 0.00 C ATOM 502 CG LYS A 41 10.871 4.912 3.763 1.00 0.00 C ATOM 503 CD LYS A 41 11.120 4.147 5.055 1.00 0.00 C ATOM 504 CE LYS A 41 11.642 5.055 6.159 1.00 0.00 C ATOM 505 NZ LYS A 41 12.941 5.680 5.798 1.00 0.00 N ATOM 0 H LYS A 41 7.657 7.234 3.550 1.00 0.00 H new ATOM 0 HA LYS A 41 8.354 4.519 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.817 6.656 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.777 6.407 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.664 4.204 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.775 5.454 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.194 3.674 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.839 3.348 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.909 5.835 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.759 4.479 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.392 6.063 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.563 4.965 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.779 6.450 5.118 1.00 0.00 H new ATOM 519 N GLN A 42 7.418 5.314 6.004 1.00 0.00 N ATOM 520 CA GLN A 42 7.016 4.771 7.293 1.00 0.00 C ATOM 521 C GLN A 42 5.748 3.939 7.168 1.00 0.00 C ATOM 522 O GLN A 42 5.619 2.904 7.816 1.00 0.00 O ATOM 523 CB GLN A 42 6.808 5.896 8.301 1.00 0.00 C ATOM 524 CG GLN A 42 8.105 6.447 8.869 1.00 0.00 C ATOM 525 CD GLN A 42 8.827 5.441 9.746 1.00 0.00 C ATOM 526 OE1 GLN A 42 8.614 5.390 10.955 1.00 0.00 O ATOM 527 NE2 GLN A 42 9.677 4.623 9.145 1.00 0.00 N ATOM 0 H GLN A 42 7.276 6.320 5.909 1.00 0.00 H new ATOM 0 HA GLN A 42 7.816 4.120 7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.257 6.706 7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.188 5.530 9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.759 6.746 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.892 7.344 9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.829 4.694 8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.180 3.921 9.688 1.00 0.00 H new ATOM 536 N LEU A 43 4.829 4.392 6.319 1.00 0.00 N ATOM 537 CA LEU A 43 3.568 3.687 6.090 1.00 0.00 C ATOM 538 C LEU A 43 3.816 2.236 5.716 1.00 0.00 C ATOM 539 O LEU A 43 3.172 1.324 6.236 1.00 0.00 O ATOM 540 CB LEU A 43 2.771 4.362 4.971 1.00 0.00 C ATOM 541 CG LEU A 43 2.400 5.825 5.218 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.695 6.406 4.006 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.528 5.957 6.456 1.00 0.00 C ATOM 0 H LEU A 43 4.934 5.249 5.775 1.00 0.00 H new ATOM 0 HA LEU A 43 2.997 3.724 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.350 4.303 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.854 3.795 4.809 1.00 0.00 H new ATOM 0 HG LEU A 43 3.319 6.387 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.438 7.448 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.354 6.349 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.786 5.839 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.276 7.006 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.613 5.380 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.069 5.580 7.324 1.00 0.00 H new ATOM 555 N GLN A 44 4.770 2.030 4.824 1.00 0.00 N ATOM 556 CA GLN A 44 5.082 0.701 4.329 1.00 0.00 C ATOM 557 C GLN A 44 5.700 -0.170 5.423 1.00 0.00 C ATOM 558 O GLN A 44 5.450 -1.374 5.483 1.00 0.00 O ATOM 559 CB GLN A 44 6.015 0.806 3.124 1.00 0.00 C ATOM 560 CG GLN A 44 5.416 1.630 1.995 1.00 0.00 C ATOM 561 CD GLN A 44 6.324 1.745 0.787 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.278 0.911 -0.114 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.133 2.790 0.750 1.00 0.00 N ATOM 0 H GLN A 44 5.345 2.772 4.426 1.00 0.00 H new ATOM 0 HA GLN A 44 4.154 0.221 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.958 1.255 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.244 -0.195 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.471 1.181 1.689 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.188 2.629 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.138 3.458 1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.752 2.928 -0.049 1.00 0.00 H new ATOM 572 N GLU A 45 6.479 0.443 6.306 1.00 0.00 N ATOM 573 CA GLU A 45 7.146 -0.300 7.372 1.00 0.00 C ATOM 574 C GLU A 45 6.199 -0.581 8.538 1.00 0.00 C ATOM 575 O GLU A 45 6.395 -1.539 9.282 1.00 0.00 O ATOM 576 CB GLU A 45 8.380 0.451 7.879 1.00 0.00 C ATOM 577 CG GLU A 45 9.426 0.712 6.808 1.00 0.00 C ATOM 578 CD GLU A 45 10.779 1.073 7.387 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.891 2.119 8.061 1.00 0.00 O ATOM 580 OE2 GLU A 45 11.737 0.298 7.186 1.00 0.00 O ATOM 0 H GLU A 45 6.665 1.446 6.307 1.00 0.00 H new ATOM 0 HA GLU A 45 7.462 -1.252 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.064 1.404 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.836 -0.123 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.528 -0.175 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.084 1.521 6.162 1.00 0.00 H new ATOM 587 N ARG A 46 5.177 0.251 8.705 1.00 0.00 N ATOM 588 CA ARG A 46 4.236 0.076 9.811 1.00 0.00 C ATOM 589 C ARG A 46 3.074 -0.833 9.424 1.00 0.00 C ATOM 590 O ARG A 46 2.521 -1.537 10.266 1.00 0.00 O ATOM 591 CB ARG A 46 3.716 1.430 10.317 1.00 0.00 C ATOM 592 CG ARG A 46 3.014 2.264 9.259 1.00 0.00 C ATOM 593 CD ARG A 46 2.638 3.640 9.783 1.00 0.00 C ATOM 594 NE ARG A 46 1.462 3.605 10.648 1.00 0.00 N ATOM 595 CZ ARG A 46 0.728 4.676 10.945 1.00 0.00 C ATOM 596 NH1 ARG A 46 1.118 5.887 10.566 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.382 4.536 11.652 1.00 0.00 N ATOM 0 H ARG A 46 4.978 1.046 8.097 1.00 0.00 H new ATOM 0 HA ARG A 46 4.781 -0.407 10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.026 1.256 11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.554 2.001 10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.664 2.371 8.390 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.116 1.745 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.480 4.058 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.447 4.306 8.942 1.00 0.00 H new ATOM 0 HE ARG A 46 1.187 2.708 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.986 6.003 10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.550 6.702 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.672 3.610 11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.947 5.354 11.882 1.00 0.00 H new ATOM 611 N ALA A 47 2.711 -0.825 8.152 1.00 0.00 N ATOM 612 CA ALA A 47 1.635 -1.679 7.672 1.00 0.00 C ATOM 613 C ALA A 47 2.170 -3.042 7.249 1.00 0.00 C ATOM 614 O ALA A 47 1.482 -4.054 7.361 1.00 0.00 O ATOM 615 CB ALA A 47 0.898 -1.016 6.522 1.00 0.00 C ATOM 0 H ALA A 47 3.142 -0.240 7.436 1.00 0.00 H new ATOM 0 HA ALA A 47 0.932 -1.829 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.097 -1.671 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.474 -0.070 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.593 -0.831 5.703 1.00 0.00 H new ATOM 621 N GLY A 48 3.409 -3.063 6.774 1.00 0.00 N ATOM 622 CA GLY A 48 4.009 -4.307 6.327 1.00 0.00 C ATOM 623 C GLY A 48 3.796 -4.560 4.844 1.00 0.00 C ATOM 624 O GLY A 48 4.290 -5.548 4.299 1.00 0.00 O ATOM 0 H GLY A 48 4.009 -2.242 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.078 -4.287 6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.587 -5.135 6.897 1.00 0.00 H new ATOM 628 N VAL A 49 3.054 -3.670 4.195 1.00 0.00 N ATOM 629 CA VAL A 49 2.785 -3.781 2.763 1.00 0.00 C ATOM 630 C VAL A 49 3.632 -2.801 1.976 1.00 0.00 C ATOM 631 O VAL A 49 4.404 -2.031 2.544 1.00 0.00 O ATOM 632 CB VAL A 49 1.302 -3.513 2.426 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.430 -4.634 2.940 1.00 0.00 C ATOM 634 CG2 VAL A 49 0.852 -2.174 2.993 1.00 0.00 C ATOM 0 H VAL A 49 2.625 -2.858 4.639 1.00 0.00 H new ATOM 0 HA VAL A 49 3.034 -4.805 2.486 1.00 0.00 H new ATOM 0 HB VAL A 49 1.200 -3.471 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.611 -4.427 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.733 -5.573 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.538 -4.712 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.196 -2.007 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.970 -2.179 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.459 -1.376 2.566 1.00 0.00 H new ATOM 644 N LYS A 50 3.475 -2.833 0.668 1.00 0.00 N ATOM 645 CA LYS A 50 4.178 -1.908 -0.198 1.00 0.00 C ATOM 646 C LYS A 50 3.183 -0.919 -0.785 1.00 0.00 C ATOM 647 O LYS A 50 2.182 -1.312 -1.384 1.00 0.00 O ATOM 648 CB LYS A 50 4.925 -2.669 -1.306 1.00 0.00 C ATOM 649 CG LYS A 50 5.898 -1.809 -2.113 1.00 0.00 C ATOM 650 CD LYS A 50 5.187 -0.968 -3.164 1.00 0.00 C ATOM 651 CE LYS A 50 6.137 -0.008 -3.863 1.00 0.00 C ATOM 652 NZ LYS A 50 6.698 1.013 -2.933 1.00 0.00 N ATOM 0 H LYS A 50 2.866 -3.490 0.181 1.00 0.00 H new ATOM 0 HA LYS A 50 4.921 -1.359 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.476 -3.495 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.194 -3.106 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.448 -1.154 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.631 -2.452 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.726 -1.624 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.382 -0.403 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.953 -0.572 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.610 0.494 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.419 1.963 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.332 0.848 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.736 0.942 -2.924 1.00 0.00 H new ATOM 666 N MET A 51 3.451 0.361 -0.597 1.00 0.00 N ATOM 667 CA MET A 51 2.588 1.403 -1.120 1.00 0.00 C ATOM 668 C MET A 51 3.370 2.267 -2.088 1.00 0.00 C ATOM 669 O MET A 51 4.439 2.773 -1.752 1.00 0.00 O ATOM 670 CB MET A 51 2.024 2.272 0.008 1.00 0.00 C ATOM 671 CG MET A 51 1.376 1.478 1.131 1.00 0.00 C ATOM 672 SD MET A 51 0.607 2.539 2.369 1.00 0.00 S ATOM 673 CE MET A 51 -0.578 3.416 1.353 1.00 0.00 C ATOM 0 H MET A 51 4.263 0.704 -0.084 1.00 0.00 H new ATOM 0 HA MET A 51 1.752 0.931 -1.636 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.829 2.879 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.288 2.960 -0.409 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.624 0.809 0.712 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.128 0.852 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.526 3.495 1.886 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.200 4.415 1.133 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.730 2.873 0.420 1.00 0.00 H new ATOM 683 N ILE A 52 2.864 2.410 -3.296 1.00 0.00 N ATOM 684 CA ILE A 52 3.514 3.254 -4.276 1.00 0.00 C ATOM 685 C ILE A 52 2.628 4.437 -4.645 1.00 0.00 C ATOM 686 O ILE A 52 1.588 4.287 -5.290 1.00 0.00 O ATOM 687 CB ILE A 52 3.933 2.468 -5.545 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.497 3.422 -6.605 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.767 1.665 -6.103 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.012 2.725 -7.848 1.00 0.00 C ATOM 0 H ILE A 52 2.010 1.956 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 52 4.427 3.630 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 52 4.716 1.764 -5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.720 4.130 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.308 4.002 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.090 1.124 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.422 0.955 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.952 2.340 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.394 3.467 -8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.813 2.038 -7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.200 2.168 -8.316 1.00 0.00 H new ATOM 702 N LEU A 53 3.024 5.605 -4.173 1.00 0.00 N ATOM 703 CA LEU A 53 2.414 6.847 -4.604 1.00 0.00 C ATOM 704 C LEU A 53 3.024 7.249 -5.938 1.00 0.00 C ATOM 705 O LEU A 53 4.157 7.739 -5.986 1.00 0.00 O ATOM 706 CB LEU A 53 2.647 7.956 -3.565 1.00 0.00 C ATOM 707 CG LEU A 53 1.580 8.098 -2.470 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.197 8.250 -3.085 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.623 6.920 -1.506 1.00 0.00 C ATOM 0 H LEU A 53 3.770 5.718 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 53 1.339 6.705 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.609 7.778 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.725 8.907 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 53 1.799 9.001 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.545 8.349 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.175 9.139 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.032 7.371 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.857 7.047 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.440 5.995 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.604 6.873 -1.033 1.00 0.00 H new ATOM 721 N ILE A 54 2.293 7.026 -7.022 1.00 0.00 N ATOM 722 CA ILE A 54 2.816 7.323 -8.341 1.00 0.00 C ATOM 723 C ILE A 54 2.736 8.817 -8.620 1.00 0.00 C ATOM 724 O ILE A 54 1.777 9.318 -9.206 1.00 0.00 O ATOM 725 CB ILE A 54 2.086 6.529 -9.447 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.138 5.027 -9.141 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.719 6.817 -10.803 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.392 4.168 -10.140 1.00 0.00 C ATOM 0 H ILE A 54 1.347 6.645 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 54 3.861 7.013 -8.354 1.00 0.00 H new ATOM 0 HB ILE A 54 1.042 6.842 -9.476 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.180 4.709 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.723 4.855 -8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.197 6.252 -11.576 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.645 7.883 -11.020 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.768 6.522 -10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.477 3.120 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.341 4.456 -10.155 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.821 4.308 -11.132 1.00 0.00 H new ATOM 740 N GLN A 55 3.761 9.513 -8.174 1.00 0.00 N ATOM 741 CA GLN A 55 3.914 10.933 -8.436 1.00 0.00 C ATOM 742 C GLN A 55 5.212 11.175 -9.193 1.00 0.00 C ATOM 743 O GLN A 55 5.453 12.258 -9.728 1.00 0.00 O ATOM 744 CB GLN A 55 3.871 11.720 -7.117 1.00 0.00 C ATOM 745 CG GLN A 55 4.534 11.004 -5.944 1.00 0.00 C ATOM 746 CD GLN A 55 6.045 10.946 -6.044 1.00 0.00 C ATOM 747 OE1 GLN A 55 6.683 11.854 -6.572 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.623 9.863 -5.556 1.00 0.00 N ATOM 0 H GLN A 55 4.515 9.110 -7.618 1.00 0.00 H new ATOM 0 HA GLN A 55 3.090 11.284 -9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.360 12.683 -7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.831 11.926 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.259 11.509 -5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.143 9.988 -5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.056 9.132 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.636 9.757 -5.610 1.00 0.00 H new ATOM 862 N ASP A 64 -5.617 13.257 -10.198 1.00 0.00 N ATOM 863 CA ASP A 64 -5.610 12.401 -9.018 1.00 0.00 C ATOM 864 C ASP A 64 -4.454 11.408 -9.104 1.00 0.00 C ATOM 865 O ASP A 64 -4.139 10.899 -10.180 1.00 0.00 O ATOM 866 CB ASP A 64 -6.941 11.660 -8.886 1.00 0.00 C ATOM 867 CG ASP A 64 -8.123 12.603 -8.812 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.615 13.026 -9.882 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.564 12.939 -7.689 1.00 0.00 O ATOM 0 HA ASP A 64 -5.476 13.023 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.067 10.991 -9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.920 11.038 -7.991 1.00 0.00 H new ATOM 874 N LYS A 65 -3.842 11.121 -7.966 1.00 0.00 N ATOM 875 CA LYS A 65 -2.596 10.365 -7.940 1.00 0.00 C ATOM 876 C LYS A 65 -2.853 8.878 -7.795 1.00 0.00 C ATOM 877 O LYS A 65 -3.595 8.454 -6.909 1.00 0.00 O ATOM 878 CB LYS A 65 -1.700 10.835 -6.792 1.00 0.00 C ATOM 879 CG LYS A 65 -1.472 12.337 -6.773 1.00 0.00 C ATOM 880 CD LYS A 65 -0.928 12.836 -8.102 1.00 0.00 C ATOM 881 CE LYS A 65 -0.865 14.352 -8.140 1.00 0.00 C ATOM 882 NZ LYS A 65 0.303 14.888 -7.390 1.00 0.00 N ATOM 0 H LYS A 65 -4.186 11.399 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.092 10.543 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.148 10.532 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.736 10.331 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.410 12.845 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.774 12.590 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.068 12.425 -8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.560 12.476 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.812 14.685 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.783 14.762 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.304 15.927 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.241 14.593 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.182 14.519 -7.806 1.00 0.00 H new ATOM 896 N PRO A 66 -2.243 8.078 -8.673 1.00 0.00 N ATOM 897 CA PRO A 66 -2.322 6.618 -8.619 1.00 0.00 C ATOM 898 C PRO A 66 -1.617 6.057 -7.387 1.00 0.00 C ATOM 899 O PRO A 66 -0.393 6.139 -7.268 1.00 0.00 O ATOM 900 CB PRO A 66 -1.596 6.167 -9.897 1.00 0.00 C ATOM 901 CG PRO A 66 -1.531 7.379 -10.757 1.00 0.00 C ATOM 902 CD PRO A 66 -1.429 8.531 -9.808 1.00 0.00 C ATOM 0 HA PRO A 66 -3.352 6.267 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.598 5.791 -9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.136 5.361 -10.393 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.670 7.342 -11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.418 7.464 -11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.397 8.726 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.816 9.452 -10.244 1.00 0.00 H new ATOM 910 N LEU A 67 -2.393 5.506 -6.469 1.00 0.00 N ATOM 911 CA LEU A 67 -1.837 4.902 -5.270 1.00 0.00 C ATOM 912 C LEU A 67 -2.095 3.406 -5.263 1.00 0.00 C ATOM 913 O LEU A 67 -3.239 2.970 -5.198 1.00 0.00 O ATOM 914 CB LEU A 67 -2.433 5.539 -4.010 1.00 0.00 C ATOM 915 CG LEU A 67 -2.168 4.774 -2.707 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.676 4.628 -2.457 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.839 5.463 -1.529 1.00 0.00 C ATOM 0 H LEU A 67 -3.410 5.464 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.761 5.078 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.034 6.548 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.510 5.634 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.596 3.777 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.515 4.082 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.221 4.081 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.221 5.616 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.637 4.902 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.447 6.475 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.915 5.506 -1.698 1.00 0.00 H new ATOM 929 N ARG A 68 -1.031 2.625 -5.342 1.00 0.00 N ATOM 930 CA ARG A 68 -1.152 1.179 -5.272 1.00 0.00 C ATOM 931 C ARG A 68 -0.706 0.669 -3.912 1.00 0.00 C ATOM 932 O ARG A 68 0.476 0.741 -3.568 1.00 0.00 O ATOM 933 CB ARG A 68 -0.332 0.499 -6.369 1.00 0.00 C ATOM 934 CG ARG A 68 -0.880 0.727 -7.760 1.00 0.00 C ATOM 935 CD ARG A 68 -0.028 0.062 -8.825 1.00 0.00 C ATOM 936 NE ARG A 68 -0.506 0.388 -10.168 1.00 0.00 N ATOM 937 CZ ARG A 68 0.063 -0.040 -11.294 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.119 -0.843 -11.256 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.438 0.331 -12.462 1.00 0.00 N ATOM 0 H ARG A 68 -0.076 2.967 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.203 0.932 -5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.693 0.867 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.295 -0.573 -6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.897 0.340 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.935 1.798 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.008 0.383 -8.718 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.043 -1.019 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.331 0.983 -10.248 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.503 -1.139 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.547 -1.165 -12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.255 0.941 -12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.007 0.007 -13.328 1.00 0.00 H new ATOM 953 N ILE A 69 -1.661 0.190 -3.133 1.00 0.00 N ATOM 954 CA ILE A 69 -1.353 -0.510 -1.898 1.00 0.00 C ATOM 955 C ILE A 69 -1.310 -1.998 -2.204 1.00 0.00 C ATOM 956 O ILE A 69 -2.343 -2.605 -2.480 1.00 0.00 O ATOM 957 CB ILE A 69 -2.386 -0.249 -0.773 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.630 1.248 -0.570 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.908 -0.878 0.527 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.690 1.820 -1.487 1.00 0.00 C ATOM 0 H ILE A 69 -2.657 0.273 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.396 -0.140 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.330 -0.704 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.924 1.422 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.695 1.785 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.640 -0.690 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.791 -1.953 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.950 -0.442 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.809 2.885 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.389 1.678 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.637 1.310 -1.311 1.00 0.00 H new ATOM 972 N ILE A 70 -0.117 -2.567 -2.195 1.00 0.00 N ATOM 973 CA ILE A 70 0.082 -3.935 -2.654 1.00 0.00 C ATOM 974 C ILE A 70 0.570 -4.842 -1.525 1.00 0.00 C ATOM 975 O ILE A 70 1.468 -4.474 -0.762 1.00 0.00 O ATOM 976 CB ILE A 70 1.109 -3.981 -3.809 1.00 0.00 C ATOM 977 CG1 ILE A 70 0.796 -2.900 -4.850 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.113 -5.358 -4.461 1.00 0.00 C ATOM 979 CD1 ILE A 70 1.850 -2.771 -5.928 1.00 0.00 C ATOM 0 H ILE A 70 0.733 -2.103 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.885 -4.296 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 70 2.099 -3.788 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.163 -3.124 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.687 -1.941 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.841 -5.374 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.379 -6.111 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.122 -5.575 -4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.560 -1.987 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.807 -2.515 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.943 -3.717 -6.461 1.00 0.00 H new ATOM 991 N GLY A 71 -0.041 -6.018 -1.412 1.00 0.00 N ATOM 992 CA GLY A 71 0.443 -7.019 -0.485 1.00 0.00 C ATOM 993 C GLY A 71 -0.655 -7.925 0.040 1.00 0.00 C ATOM 994 O GLY A 71 -1.196 -8.753 -0.687 1.00 0.00 O ATOM 0 H GLY A 71 -0.864 -6.293 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.202 -7.626 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.929 -6.523 0.355 1.00 0.00 H new ATOM 998 N ASP A 72 -0.984 -7.742 1.303 1.00 0.00 N ATOM 999 CA ASP A 72 -1.939 -8.588 2.010 1.00 0.00 C ATOM 1000 C ASP A 72 -3.271 -7.864 2.154 1.00 0.00 C ATOM 1001 O ASP A 72 -3.306 -6.714 2.591 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.375 -8.882 3.391 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.229 -9.797 4.215 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.170 -9.295 4.857 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -1.941 -11.010 4.250 1.00 0.00 O ATOM 0 H ASP A 72 -0.595 -6.995 1.878 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.101 -9.512 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.385 -9.326 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.245 -7.942 3.927 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.383 -8.549 1.824 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.727 -7.946 1.777 1.00 0.00 C ATOM 1012 C PRO A 73 -6.128 -7.259 3.075 1.00 0.00 C ATOM 1013 O PRO A 73 -6.944 -6.336 3.075 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.652 -9.137 1.519 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.788 -10.175 0.901 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.416 -9.982 1.483 1.00 0.00 C ATOM 0 HA PRO A 73 -5.774 -7.165 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.098 -9.497 2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.472 -8.862 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.165 -11.174 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.769 -10.070 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.262 -10.607 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.636 -10.242 0.767 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.547 -7.709 4.174 1.00 0.00 N ATOM 1025 CA TYR A 74 -5.879 -7.187 5.485 1.00 0.00 C ATOM 1026 C TYR A 74 -5.234 -5.821 5.694 1.00 0.00 C ATOM 1027 O TYR A 74 -5.909 -4.839 6.001 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.403 -8.179 6.546 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.744 -7.813 7.971 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.065 -7.700 8.387 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.738 -7.602 8.907 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.373 -7.384 9.695 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.039 -7.285 10.215 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.357 -7.177 10.605 1.00 0.00 C ATOM 1035 OH TYR A 74 -6.658 -6.856 11.909 1.00 0.00 O ATOM 0 H TYR A 74 -4.837 -8.441 4.182 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.958 -7.060 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.834 -9.156 6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.321 -8.282 6.464 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.862 -7.862 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.705 -7.688 8.605 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.404 -7.299 10.004 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.246 -7.122 10.930 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.828 -6.745 12.418 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.926 -5.762 5.490 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.177 -4.530 5.705 1.00 0.00 C ATOM 1047 C LYS A 75 -3.246 -3.605 4.502 1.00 0.00 C ATOM 1048 O LYS A 75 -2.952 -2.424 4.624 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.729 -4.828 6.084 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.172 -6.092 5.452 1.00 0.00 C ATOM 1051 CD LYS A 75 0.134 -6.509 6.105 1.00 0.00 C ATOM 1052 CE LYS A 75 -0.073 -6.940 7.550 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.216 -7.151 8.254 1.00 0.00 N ATOM 0 H LYS A 75 -3.361 -6.551 5.176 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.647 -4.009 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.106 -3.983 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.659 -4.915 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.900 -6.898 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.012 -5.928 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.578 -7.329 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.840 -5.679 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.654 -6.182 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.655 -7.861 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.032 -7.444 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.760 -7.892 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.761 -6.265 8.253 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.625 -4.130 3.344 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.904 -3.272 2.202 1.00 0.00 C ATOM 1069 C VAL A 76 -5.088 -2.363 2.523 1.00 0.00 C ATOM 1070 O VAL A 76 -5.089 -1.181 2.178 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.182 -4.080 0.910 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.757 -3.193 -0.184 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.908 -4.741 0.413 1.00 0.00 C ATOM 0 H VAL A 76 -3.745 -5.128 3.172 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.014 -2.671 2.015 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.916 -4.848 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.941 -3.790 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.694 -2.754 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.048 -2.398 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.121 -5.305 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.161 -3.977 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.526 -5.417 1.178 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.076 -2.903 3.232 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.220 -2.108 3.638 1.00 0.00 C ATOM 1085 C GLN A 77 -6.866 -1.229 4.825 1.00 0.00 C ATOM 1086 O GLN A 77 -7.257 -0.065 4.873 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.429 -2.983 3.961 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.497 -2.931 2.882 1.00 0.00 C ATOM 1089 CD GLN A 77 -9.973 -1.511 2.613 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.330 -1.165 1.485 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -9.997 -0.680 3.647 1.00 0.00 N ATOM 0 H GLN A 77 -6.104 -3.877 3.532 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.491 -1.469 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.101 -4.014 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.861 -2.663 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.102 -3.361 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.345 -3.546 3.183 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.694 -1.001 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.318 0.280 3.522 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.117 -1.784 5.773 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.625 -1.008 6.907 1.00 0.00 C ATOM 1102 C GLN A 78 -4.839 0.201 6.425 1.00 0.00 C ATOM 1103 O GLN A 78 -5.054 1.317 6.889 1.00 0.00 O ATOM 1104 CB GLN A 78 -4.740 -1.863 7.810 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.496 -2.914 8.601 1.00 0.00 C ATOM 1106 CD GLN A 78 -4.582 -3.733 9.490 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -3.422 -3.975 9.158 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -5.097 -4.159 10.630 1.00 0.00 N ATOM 0 H GLN A 78 -5.838 -2.765 5.779 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.489 -0.670 7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.985 -2.357 7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.211 -1.211 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.255 -2.428 9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.019 -3.577 7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.064 -3.936 10.868 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.528 -4.710 11.272 1.00 0.00 H new ATOM 1117 N ALA A 79 -3.940 -0.034 5.477 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.117 1.020 4.909 1.00 0.00 C ATOM 1119 C ALA A 79 -3.962 2.011 4.120 1.00 0.00 C ATOM 1120 O ALA A 79 -3.723 3.217 4.168 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.037 0.419 4.026 1.00 0.00 C ATOM 0 H ALA A 79 -3.763 -0.958 5.083 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.643 1.563 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.425 1.217 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.409 -0.245 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.501 -0.147 3.218 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.953 1.499 3.400 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.863 2.344 2.636 1.00 0.00 C ATOM 1129 C CYS A 80 -6.636 3.268 3.566 1.00 0.00 C ATOM 1130 O CYS A 80 -6.642 4.483 3.381 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.827 1.483 1.813 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.019 2.424 0.832 1.00 0.00 S ATOM 0 H CYS A 80 -5.147 0.500 3.329 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.276 2.956 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.246 0.847 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.371 0.823 2.488 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.783 1.604 0.174 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.260 2.689 4.584 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.003 3.467 5.563 1.00 0.00 C ATOM 1140 C GLU A 81 -7.067 4.392 6.323 1.00 0.00 C ATOM 1141 O GLU A 81 -7.458 5.476 6.739 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.735 2.546 6.536 1.00 0.00 C ATOM 1143 CG GLU A 81 -9.783 1.687 5.861 1.00 0.00 C ATOM 1144 CD GLU A 81 -10.570 0.850 6.844 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -11.588 1.347 7.372 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -10.173 -0.304 7.102 1.00 0.00 O ATOM 0 H GLU A 81 -7.265 1.683 4.752 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.741 4.070 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.010 1.902 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.210 3.148 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.468 2.326 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.299 1.031 5.137 1.00 0.00 H new ATOM 1153 N MET A 82 -5.830 3.948 6.484 1.00 0.00 N ATOM 1154 CA MET A 82 -4.797 4.724 7.161 1.00 0.00 C ATOM 1155 C MET A 82 -4.462 5.992 6.384 1.00 0.00 C ATOM 1156 O MET A 82 -4.489 7.089 6.938 1.00 0.00 O ATOM 1157 CB MET A 82 -3.542 3.863 7.358 1.00 0.00 C ATOM 1158 CG MET A 82 -2.347 4.606 7.934 1.00 0.00 C ATOM 1159 SD MET A 82 -0.994 3.498 8.380 1.00 0.00 S ATOM 1160 CE MET A 82 -0.713 2.620 6.843 1.00 0.00 C ATOM 0 H MET A 82 -5.512 3.039 6.149 1.00 0.00 H new ATOM 0 HA MET A 82 -5.177 5.026 8.137 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.788 3.031 8.018 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.257 3.434 6.397 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.991 5.335 7.206 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.661 5.164 8.816 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.359 2.521 6.672 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.165 1.630 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.162 3.175 6.019 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.160 5.848 5.098 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.763 6.993 4.283 1.00 0.00 C ATOM 1172 C VAL A 83 -4.959 7.857 3.903 1.00 0.00 C ATOM 1173 O VAL A 83 -4.848 9.080 3.846 1.00 0.00 O ATOM 1174 CB VAL A 83 -2.996 6.569 3.012 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.699 5.880 3.396 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.839 5.660 2.129 1.00 0.00 C ATOM 0 H VAL A 83 -4.182 4.958 4.600 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.089 7.585 4.902 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.769 7.467 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.163 5.584 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.081 6.565 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.920 4.996 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.268 5.381 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.109 4.762 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.745 6.185 1.826 1.00 0.00 H new ATOM 1186 N MET A 84 -6.107 7.230 3.665 1.00 0.00 N ATOM 1187 CA MET A 84 -7.320 7.978 3.356 1.00 0.00 C ATOM 1188 C MET A 84 -7.775 8.759 4.578 1.00 0.00 C ATOM 1189 O MET A 84 -8.389 9.813 4.458 1.00 0.00 O ATOM 1190 CB MET A 84 -8.441 7.052 2.874 1.00 0.00 C ATOM 1191 CG MET A 84 -8.196 6.468 1.493 1.00 0.00 C ATOM 1192 SD MET A 84 -8.013 7.736 0.224 1.00 0.00 S ATOM 1193 CE MET A 84 -9.616 8.529 0.297 1.00 0.00 C ATOM 0 H MET A 84 -6.222 6.217 3.680 1.00 0.00 H new ATOM 0 HA MET A 84 -7.090 8.673 2.548 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.560 6.237 3.588 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.380 7.606 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.297 5.852 1.518 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.025 5.812 1.228 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.780 9.103 -0.615 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.393 7.771 0.393 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.653 9.197 1.158 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.453 8.236 5.754 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.763 8.915 7.011 1.00 0.00 C ATOM 1205 C ASP A 85 -6.990 10.222 7.121 1.00 0.00 C ATOM 1206 O ASP A 85 -7.522 11.232 7.581 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.434 8.006 8.196 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.558 8.698 9.533 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -8.683 8.758 10.069 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -6.528 9.156 10.064 1.00 0.00 O ATOM 0 H ASP A 85 -6.976 7.341 5.866 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.829 9.143 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.099 7.143 8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.418 7.628 8.084 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.744 10.201 6.660 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.892 11.383 6.680 1.00 0.00 C ATOM 1217 C ILE A 86 -5.473 12.471 5.781 1.00 0.00 C ATOM 1218 O ILE A 86 -5.253 13.660 6.000 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.456 11.053 6.207 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.918 9.826 6.946 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.535 12.247 6.427 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.547 9.386 6.477 1.00 0.00 C ATOM 0 H ILE A 86 -5.300 9.372 6.265 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.850 11.736 7.710 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.488 10.830 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.874 10.046 8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.618 9.000 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.529 11.998 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.906 13.102 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.510 12.497 7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.231 8.512 7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.588 9.134 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.833 10.195 6.630 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.229 12.052 4.778 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.807 12.979 3.819 1.00 0.00 C ATOM 1236 C LEU A 87 -8.251 13.304 4.184 1.00 0.00 C ATOM 1237 O LEU A 87 -8.856 14.208 3.615 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.756 12.379 2.412 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.417 11.757 2.011 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.474 11.265 0.575 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.281 12.749 2.194 1.00 0.00 C ATOM 0 H LEU A 87 -6.457 11.073 4.607 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.225 13.900 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.530 11.616 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.004 13.160 1.693 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.226 10.905 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.515 10.825 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.258 10.514 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.690 12.103 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.340 12.283 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.460 13.626 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.227 13.051 3.240 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.799 12.562 5.134 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.197 12.714 5.506 1.00 0.00 C ATOM 1255 C ARG A 88 -10.340 13.560 6.755 1.00 0.00 C ATOM 1256 O ARG A 88 -11.366 14.199 6.983 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.832 11.335 5.717 1.00 0.00 C ATOM 1258 CG ARG A 88 -12.305 11.375 6.084 1.00 0.00 C ATOM 1259 CD ARG A 88 -13.119 12.120 5.041 1.00 0.00 C ATOM 1260 NE ARG A 88 -14.554 11.905 5.207 1.00 0.00 N ATOM 1261 CZ ARG A 88 -15.486 12.575 4.532 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -15.146 13.606 3.770 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -16.763 12.232 4.650 1.00 0.00 N ATOM 0 H ARG A 88 -8.297 11.848 5.662 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.716 13.226 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.712 10.750 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.287 10.814 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.684 10.358 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.426 11.857 7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.903 13.186 5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.817 11.794 4.046 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.860 11.201 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.168 13.888 3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.862 14.117 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.029 11.456 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.478 12.744 4.134 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.303 13.566 7.548 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.310 14.297 8.801 1.00 0.00 C ATOM 1279 C GLU A 89 -8.316 15.448 8.734 1.00 0.00 C ATOM 1280 O GLU A 89 -7.099 15.185 8.748 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.978 13.360 9.966 1.00 0.00 C ATOM 1282 CG GLU A 89 -9.331 13.927 11.335 1.00 0.00 C ATOM 1283 CD GLU A 89 -10.795 14.311 11.458 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -11.642 13.406 11.629 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -11.104 15.521 11.403 1.00 0.00 O ATOM 1286 OXT GLU A 89 -8.754 16.615 8.645 1.00 0.00 O ATOM 0 H GLU A 89 -8.433 13.071 7.353 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.306 14.707 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.510 12.419 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.913 13.131 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.089 13.190 12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.713 14.804 11.529 1.00 0.00 H new