USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 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 25 THR OG1 : rot 160:sc= -0.492 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 29 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.22) USER MOD Single : A 48 GLN : amide:sc= -2.22 K(o=-2.2,f=-0.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -110:sc= -0.123 (180deg=-1.37) USER MOD Single : A 62 SER OG : rot -152:sc= 0.339 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -144:sc= -3.42! USER MOD Single : A 73 MET CE :methyl 160:sc= -0.161 (180deg=-1.36!) USER MOD Single : A 74 SER OG : rot -24:sc= 0.112 USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= -0.0741 (180deg=-0.841) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.204 -6.366 -1.001 1.00 0.00 N ATOM 184 CA LEU A 13 -3.187 -6.303 0.057 1.00 0.00 C ATOM 185 C LEU A 13 -1.817 -5.903 -0.503 1.00 0.00 C ATOM 186 O LEU A 13 -1.155 -5.013 0.030 1.00 0.00 O ATOM 187 CB LEU A 13 -3.076 -7.661 0.814 1.00 0.00 C ATOM 188 CG LEU A 13 -3.986 -8.709 0.164 1.00 0.00 C ATOM 189 CD1 LEU A 13 -3.611 -10.101 0.680 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.464 -8.402 0.499 1.00 0.00 C ATOM 0 HA LEU A 13 -3.507 -5.536 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.043 -8.009 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.354 -7.526 1.859 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.856 -8.679 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.258 -10.847 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.572 -10.315 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.735 -10.133 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.106 -9.151 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.604 -8.425 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.725 -7.414 0.120 1.00 0.00 H new ATOM 202 N ARG A 14 -1.390 -6.581 -1.562 1.00 0.00 N ATOM 203 CA ARG A 14 -0.091 -6.306 -2.167 1.00 0.00 C ATOM 204 C ARG A 14 0.142 -4.805 -2.302 1.00 0.00 C ATOM 205 O ARG A 14 1.199 -4.292 -1.933 1.00 0.00 O ATOM 206 CB ARG A 14 -0.027 -6.964 -3.547 1.00 0.00 C ATOM 207 CG ARG A 14 1.344 -6.718 -4.176 1.00 0.00 C ATOM 208 CD ARG A 14 1.465 -7.519 -5.475 1.00 0.00 C ATOM 209 NE ARG A 14 1.131 -8.919 -5.243 1.00 0.00 N ATOM 210 CZ ARG A 14 1.161 -9.806 -6.233 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.513 -9.430 -7.433 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.841 -11.050 -6.007 1.00 0.00 N ATOM 0 H ARG A 14 -1.921 -7.322 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 14 0.687 -6.715 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.209 -8.035 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.810 -6.560 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.477 -5.655 -4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.132 -7.011 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.800 -7.101 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.480 -7.441 -5.865 1.00 0.00 H new ATOM 0 HE ARG A 14 0.870 -9.223 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.764 -8.457 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.537 -10.109 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.567 -11.344 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.865 -11.729 -6.768 1.00 0.00 H new ATOM 226 N ILE A 15 -0.848 -4.116 -2.847 1.00 0.00 N ATOM 227 CA ILE A 15 -0.759 -2.674 -3.054 1.00 0.00 C ATOM 228 C ILE A 15 -0.688 -1.921 -1.731 1.00 0.00 C ATOM 229 O ILE A 15 -0.335 -0.742 -1.699 1.00 0.00 O ATOM 230 CB ILE A 15 -1.982 -2.213 -3.840 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.199 -3.153 -5.030 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.778 -0.783 -4.332 1.00 0.00 C ATOM 233 CD1 ILE A 15 -0.912 -3.284 -5.851 1.00 0.00 C ATOM 0 H ILE A 15 -1.727 -4.531 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 15 0.155 -2.459 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.860 -2.236 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.512 -4.134 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.002 -2.772 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.656 -0.462 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.631 -0.122 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.901 -0.742 -4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.084 -3.955 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.617 -2.303 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.118 -3.687 -5.222 1.00 0.00 H new ATOM 245 N ALA A 16 -1.031 -2.601 -0.641 1.00 0.00 N ATOM 246 CA ALA A 16 -1.009 -1.981 0.682 1.00 0.00 C ATOM 247 C ALA A 16 0.241 -2.377 1.451 1.00 0.00 C ATOM 248 O ALA A 16 0.609 -1.725 2.426 1.00 0.00 O ATOM 249 CB ALA A 16 -2.262 -2.365 1.464 1.00 0.00 C ATOM 0 H ALA A 16 -1.326 -3.577 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.993 -0.899 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.234 -1.897 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.146 -2.024 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.302 -3.448 1.578 1.00 0.00 H new ATOM 255 N LEU A 17 0.906 -3.428 1.002 1.00 0.00 N ATOM 256 CA LEU A 17 2.133 -3.859 1.658 1.00 0.00 C ATOM 257 C LEU A 17 3.223 -2.842 1.343 1.00 0.00 C ATOM 258 O LEU A 17 4.134 -2.616 2.138 1.00 0.00 O ATOM 259 CB LEU A 17 2.535 -5.269 1.164 1.00 0.00 C ATOM 260 CG LEU A 17 2.122 -6.358 2.180 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.085 -6.362 3.380 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.675 -6.121 2.669 1.00 0.00 C ATOM 0 H LEU A 17 0.625 -3.992 0.200 1.00 0.00 H new ATOM 0 HA LEU A 17 1.986 -3.916 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.063 -5.468 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.613 -5.307 1.004 1.00 0.00 H new ATOM 0 HG LEU A 17 2.171 -7.327 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.782 -7.134 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.098 -6.566 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.058 -5.389 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.401 -6.897 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.609 -5.145 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.006 -6.154 1.819 1.00 0.00 H new ATOM 274 N ALA A 18 3.104 -2.228 0.173 1.00 0.00 N ATOM 275 CA ALA A 18 4.063 -1.227 -0.258 1.00 0.00 C ATOM 276 C ALA A 18 4.108 -0.072 0.730 1.00 0.00 C ATOM 277 O ALA A 18 5.180 0.423 1.061 1.00 0.00 O ATOM 278 CB ALA A 18 3.682 -0.720 -1.646 1.00 0.00 C ATOM 0 H ALA A 18 2.352 -2.408 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 18 5.054 -1.680 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.402 0.032 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.685 -1.552 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.687 -0.277 -1.611 1.00 0.00 H new ATOM 284 N ALA A 19 2.937 0.354 1.203 1.00 0.00 N ATOM 285 CA ALA A 19 2.878 1.455 2.168 1.00 0.00 C ATOM 286 C ALA A 19 4.013 1.313 3.186 1.00 0.00 C ATOM 287 O ALA A 19 4.570 2.306 3.655 1.00 0.00 O ATOM 288 CB ALA A 19 1.522 1.473 2.880 1.00 0.00 C ATOM 0 H ALA A 19 2.032 -0.037 0.941 1.00 0.00 H new ATOM 0 HA ALA A 19 2.996 2.398 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.496 2.297 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.727 1.603 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.376 0.531 3.409 1.00 0.00 H new ATOM 294 N ARG A 20 4.360 0.064 3.500 1.00 0.00 N ATOM 295 CA ARG A 20 5.443 -0.200 4.440 1.00 0.00 C ATOM 296 C ARG A 20 6.786 0.192 3.825 1.00 0.00 C ATOM 297 O ARG A 20 7.631 0.793 4.488 1.00 0.00 O ATOM 298 CB ARG A 20 5.463 -1.683 4.814 1.00 0.00 C ATOM 299 CG ARG A 20 6.412 -1.892 5.996 1.00 0.00 C ATOM 300 CD ARG A 20 6.438 -3.373 6.375 1.00 0.00 C ATOM 301 NE ARG A 20 7.095 -3.548 7.665 1.00 0.00 N ATOM 302 CZ ARG A 20 8.406 -3.376 7.797 1.00 0.00 C ATOM 303 NH1 ARG A 20 9.131 -3.058 6.758 1.00 0.00 N ATOM 304 NH2 ARG A 20 8.970 -3.528 8.964 1.00 0.00 N ATOM 0 H ARG A 20 3.911 -0.770 3.121 1.00 0.00 H new ATOM 0 HA ARG A 20 5.276 0.395 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.459 -2.018 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.787 -2.281 3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.415 -1.555 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.087 -1.294 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.421 -3.763 6.420 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.964 -3.943 5.610 1.00 0.00 H new ATOM 0 HE ARG A 20 6.539 -3.807 8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.691 -2.942 5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.137 -2.926 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.404 -3.779 9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.976 -3.396 9.065 1.00 0.00 H new ATOM 318 N ALA A 21 6.973 -0.148 2.548 1.00 0.00 N ATOM 319 CA ALA A 21 8.214 0.177 1.848 1.00 0.00 C ATOM 320 C ALA A 21 8.468 1.669 1.899 1.00 0.00 C ATOM 321 O ALA A 21 9.516 2.149 1.473 1.00 0.00 O ATOM 322 CB ALA A 21 8.113 -0.230 0.375 1.00 0.00 C ATOM 0 H ALA A 21 6.285 -0.645 1.982 1.00 0.00 H new ATOM 0 HA ALA A 21 9.026 -0.363 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.044 0.017 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.935 -1.303 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.288 0.306 -0.095 1.00 0.00 H new ATOM 328 N LEU A 22 7.484 2.400 2.402 1.00 0.00 N ATOM 329 CA LEU A 22 7.566 3.848 2.490 1.00 0.00 C ATOM 330 C LEU A 22 7.599 4.279 3.960 1.00 0.00 C ATOM 331 O LEU A 22 7.032 3.599 4.815 1.00 0.00 O ATOM 332 CB LEU A 22 6.338 4.443 1.797 1.00 0.00 C ATOM 333 CG LEU A 22 6.043 3.689 0.491 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.779 4.268 -0.144 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.232 3.828 -0.480 1.00 0.00 C ATOM 0 H LEU A 22 6.612 2.008 2.758 1.00 0.00 H new ATOM 0 HA LEU A 22 8.476 4.203 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.475 4.386 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.508 5.499 1.585 1.00 0.00 H new ATOM 0 HG LEU A 22 5.893 2.631 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.562 3.738 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.941 4.153 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.931 5.326 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.013 3.290 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.397 4.882 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.128 3.410 -0.020 1.00 0.00 H new ATOM 347 N PRO A 23 8.245 5.376 4.279 1.00 0.00 N ATOM 348 CA PRO A 23 8.330 5.866 5.688 1.00 0.00 C ATOM 349 C PRO A 23 6.955 6.185 6.283 1.00 0.00 C ATOM 350 O PRO A 23 6.330 5.331 6.913 1.00 0.00 O ATOM 351 CB PRO A 23 9.219 7.123 5.594 1.00 0.00 C ATOM 352 CG PRO A 23 9.143 7.550 4.163 1.00 0.00 C ATOM 353 CD PRO A 23 8.962 6.270 3.352 1.00 0.00 C ATOM 0 HA PRO A 23 8.741 5.110 6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.861 7.909 6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.246 6.902 5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.310 8.234 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.049 8.077 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.389 6.449 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.920 5.848 3.048 1.00 0.00 H new ATOM 361 N GLY A 24 6.499 7.424 6.100 1.00 0.00 N ATOM 362 CA GLY A 24 5.207 7.852 6.645 1.00 0.00 C ATOM 363 C GLY A 24 4.102 7.848 5.589 1.00 0.00 C ATOM 364 O GLY A 24 2.934 8.062 5.910 1.00 0.00 O ATOM 0 H GLY A 24 7.000 8.146 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.925 7.192 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.305 8.855 7.061 1.00 0.00 H new ATOM 368 N THR A 25 4.465 7.612 4.332 1.00 0.00 N ATOM 369 CA THR A 25 3.470 7.597 3.263 1.00 0.00 C ATOM 370 C THR A 25 2.430 6.509 3.512 1.00 0.00 C ATOM 371 O THR A 25 2.767 5.390 3.904 1.00 0.00 O ATOM 372 CB THR A 25 4.141 7.356 1.910 1.00 0.00 C ATOM 373 OG1 THR A 25 5.326 8.136 1.822 1.00 0.00 O ATOM 374 CG2 THR A 25 3.183 7.743 0.780 1.00 0.00 C ATOM 0 H THR A 25 5.423 7.431 4.031 1.00 0.00 H new ATOM 0 HA THR A 25 2.975 8.568 3.251 1.00 0.00 H new ATOM 0 HB THR A 25 4.395 6.300 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.913 7.762 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.666 7.569 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.279 7.138 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.922 8.797 0.870 1.00 0.00 H new ATOM 382 N THR A 26 1.165 6.846 3.277 1.00 0.00 N ATOM 383 CA THR A 26 0.069 5.899 3.469 1.00 0.00 C ATOM 384 C THR A 26 -0.254 5.200 2.150 1.00 0.00 C ATOM 385 O THR A 26 0.157 5.642 1.079 1.00 0.00 O ATOM 386 CB THR A 26 -1.177 6.656 3.994 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.936 8.052 3.919 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.465 6.280 5.450 1.00 0.00 C ATOM 0 H THR A 26 0.873 7.768 2.953 1.00 0.00 H new ATOM 0 HA THR A 26 0.364 5.144 4.198 1.00 0.00 H new ATOM 0 HB THR A 26 -2.037 6.383 3.382 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.721 8.538 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.344 6.823 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.649 5.208 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.607 6.541 6.070 1.00 0.00 H new ATOM 396 N VAL A 27 -0.991 4.105 2.242 1.00 0.00 N ATOM 397 CA VAL A 27 -1.363 3.357 1.053 1.00 0.00 C ATOM 398 C VAL A 27 -2.065 4.279 0.067 1.00 0.00 C ATOM 399 O VAL A 27 -1.697 4.356 -1.105 1.00 0.00 O ATOM 400 CB VAL A 27 -2.303 2.195 1.407 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.478 1.290 0.183 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.729 1.369 2.568 1.00 0.00 C ATOM 0 H VAL A 27 -1.340 3.718 3.118 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.454 2.952 0.608 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.266 2.606 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.145 0.465 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.905 1.866 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.508 0.894 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.409 0.551 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.759 0.963 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.611 2.006 3.444 1.00 0.00 H new ATOM 412 N GLY A 28 -3.099 4.959 0.549 1.00 0.00 N ATOM 413 CA GLY A 28 -3.875 5.855 -0.295 1.00 0.00 C ATOM 414 C GLY A 28 -3.129 7.150 -0.612 1.00 0.00 C ATOM 415 O GLY A 28 -3.695 8.048 -1.234 1.00 0.00 O ATOM 0 H GLY A 28 -3.417 4.906 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.126 5.346 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.816 6.093 0.201 1.00 0.00 H new ATOM 419 N GLN A 29 -1.864 7.258 -0.193 1.00 0.00 N ATOM 420 CA GLN A 29 -1.088 8.474 -0.467 1.00 0.00 C ATOM 421 C GLN A 29 -0.213 8.277 -1.703 1.00 0.00 C ATOM 422 O GLN A 29 0.158 9.244 -2.367 1.00 0.00 O ATOM 423 CB GLN A 29 -0.217 8.840 0.756 1.00 0.00 C ATOM 424 CG GLN A 29 -0.972 9.815 1.668 1.00 0.00 C ATOM 425 CD GLN A 29 -1.064 11.178 0.996 1.00 0.00 C ATOM 426 OE1 GLN A 29 -2.154 11.736 0.866 1.00 0.00 O ATOM 427 NE2 GLN A 29 0.023 11.750 0.556 1.00 0.00 N ATOM 0 H GLN A 29 -1.363 6.536 0.326 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.780 9.294 -0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.042 7.938 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.718 9.290 0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.971 9.433 1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.459 9.905 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.924 11.285 0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.028 12.662 0.103 1.00 0.00 H new ATOM 436 N LEU A 30 0.112 7.025 -2.013 1.00 0.00 N ATOM 437 CA LEU A 30 0.940 6.737 -3.180 1.00 0.00 C ATOM 438 C LEU A 30 0.080 6.671 -4.437 1.00 0.00 C ATOM 439 O LEU A 30 0.569 6.891 -5.545 1.00 0.00 O ATOM 440 CB LEU A 30 1.695 5.413 -2.978 1.00 0.00 C ATOM 441 CG LEU A 30 0.734 4.200 -3.135 1.00 0.00 C ATOM 442 CD1 LEU A 30 0.862 3.591 -4.540 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.073 3.121 -2.093 1.00 0.00 C ATOM 0 H LEU A 30 -0.180 6.205 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 30 1.667 7.540 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.505 5.337 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.150 5.396 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.286 4.552 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.183 2.744 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.608 4.343 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.886 3.254 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.395 2.276 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.100 2.785 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.965 3.536 -1.091 1.00 0.00 H new ATOM 455 N LEU A 31 -1.206 6.367 -4.261 1.00 0.00 N ATOM 456 CA LEU A 31 -2.128 6.272 -5.393 1.00 0.00 C ATOM 457 C LEU A 31 -2.810 7.614 -5.654 1.00 0.00 C ATOM 458 O LEU A 31 -3.099 7.952 -6.800 1.00 0.00 O ATOM 459 CB LEU A 31 -3.195 5.203 -5.110 1.00 0.00 C ATOM 460 CG LEU A 31 -3.889 4.786 -6.426 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.081 3.687 -7.129 1.00 0.00 C ATOM 462 CD2 LEU A 31 -5.292 4.249 -6.123 1.00 0.00 C ATOM 0 H LEU A 31 -1.631 6.183 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.554 5.994 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.735 4.333 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.933 5.591 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.955 5.660 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.582 3.403 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.082 4.059 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.005 2.817 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.778 3.956 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.216 3.383 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.881 5.025 -5.635 1.00 0.00 H new ATOM 715 N LEU A 47 -1.639 0.179 -13.814 1.00 0.00 N ATOM 716 CA LEU A 47 -0.807 1.041 -12.981 1.00 0.00 C ATOM 717 C LEU A 47 0.552 1.267 -13.652 1.00 0.00 C ATOM 718 O LEU A 47 1.079 2.377 -13.644 1.00 0.00 O ATOM 719 CB LEU A 47 -0.632 0.396 -11.589 1.00 0.00 C ATOM 720 CG LEU A 47 -0.574 1.470 -10.491 1.00 0.00 C ATOM 721 CD1 LEU A 47 -0.528 0.793 -9.118 1.00 0.00 C ATOM 722 CD2 LEU A 47 0.678 2.332 -10.680 1.00 0.00 C ATOM 0 HA LEU A 47 -1.291 2.010 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.459 -0.286 -11.393 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.282 -0.198 -11.571 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.460 2.102 -10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.487 1.554 -8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.421 0.183 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.357 0.160 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.717 3.093 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.566 1.703 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.643 2.815 -11.657 1.00 0.00 H new ATOM 734 N GLN A 48 1.102 0.204 -14.233 1.00 0.00 N ATOM 735 CA GLN A 48 2.392 0.292 -14.914 1.00 0.00 C ATOM 736 C GLN A 48 2.315 1.273 -16.081 1.00 0.00 C ATOM 737 O GLN A 48 2.354 0.876 -17.245 1.00 0.00 O ATOM 738 CB GLN A 48 2.816 -1.088 -15.428 1.00 0.00 C ATOM 739 CG GLN A 48 2.821 -2.086 -14.269 1.00 0.00 C ATOM 740 CD GLN A 48 3.158 -3.484 -14.781 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.941 -4.472 -14.081 1.00 0.00 O ATOM 742 NE2 GLN A 48 3.678 -3.625 -15.969 1.00 0.00 N ATOM 0 H GLN A 48 0.678 -0.724 -14.247 1.00 0.00 H new ATOM 0 HA GLN A 48 3.132 0.651 -14.199 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.132 -1.423 -16.207 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.808 -1.031 -15.877 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.550 -1.780 -13.519 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.846 -2.094 -13.782 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.857 -2.805 -16.548 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.905 -4.556 -16.319 1.00 0.00 H new ATOM 751 N GLY A 49 2.202 2.555 -15.752 1.00 0.00 N ATOM 752 CA GLY A 49 2.117 3.604 -16.763 1.00 0.00 C ATOM 753 C GLY A 49 2.677 4.912 -16.214 1.00 0.00 C ATOM 754 O GLY A 49 2.484 5.978 -16.798 1.00 0.00 O ATOM 0 H GLY A 49 2.167 2.894 -14.791 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.672 3.307 -17.653 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.079 3.743 -17.067 1.00 0.00 H new ATOM 758 N VAL A 50 3.377 4.816 -15.082 1.00 0.00 N ATOM 759 CA VAL A 50 3.981 5.985 -14.435 1.00 0.00 C ATOM 760 C VAL A 50 5.460 5.697 -14.157 1.00 0.00 C ATOM 761 O VAL A 50 5.921 4.573 -14.352 1.00 0.00 O ATOM 762 CB VAL A 50 3.203 6.307 -13.128 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.804 5.566 -11.920 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.224 7.820 -12.856 1.00 0.00 C ATOM 0 H VAL A 50 3.541 3.937 -14.592 1.00 0.00 H new ATOM 0 HA VAL A 50 3.922 6.857 -15.086 1.00 0.00 H new ATOM 0 HB VAL A 50 2.175 5.971 -13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.237 5.813 -11.023 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.759 4.491 -12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.843 5.869 -11.787 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.676 8.032 -11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.255 8.156 -12.749 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.756 8.346 -13.688 1.00 0.00 H new ATOM 774 N SER A 51 6.201 6.708 -13.699 1.00 0.00 N ATOM 775 CA SER A 51 7.627 6.542 -13.396 1.00 0.00 C ATOM 776 C SER A 51 7.842 6.677 -11.899 1.00 0.00 C ATOM 777 O SER A 51 6.992 7.221 -11.205 1.00 0.00 O ATOM 778 CB SER A 51 8.445 7.605 -14.129 1.00 0.00 C ATOM 779 OG SER A 51 8.189 7.515 -15.526 1.00 0.00 O ATOM 0 H SER A 51 5.841 7.647 -13.530 1.00 0.00 H new ATOM 0 HA SER A 51 7.952 5.555 -13.726 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.184 8.598 -13.763 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.508 7.462 -13.932 1.00 0.00 H new ATOM 0 HG SER A 51 8.711 8.197 -15.999 1.00 0.00 H new ATOM 785 N VAL A 52 8.980 6.191 -11.409 1.00 0.00 N ATOM 786 CA VAL A 52 9.281 6.276 -9.981 1.00 0.00 C ATOM 787 C VAL A 52 9.206 7.733 -9.500 1.00 0.00 C ATOM 788 O VAL A 52 8.734 8.009 -8.398 1.00 0.00 O ATOM 789 CB VAL A 52 10.681 5.680 -9.703 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.294 6.301 -8.440 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.569 4.160 -9.510 1.00 0.00 C ATOM 0 H VAL A 52 9.701 5.739 -11.971 1.00 0.00 H new ATOM 0 HA VAL A 52 8.539 5.700 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 52 11.323 5.901 -10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.278 5.868 -8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.390 7.378 -8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.649 6.098 -7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.557 3.744 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.913 3.948 -8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.157 3.708 -10.412 1.00 0.00 H new ATOM 801 N THR A 53 9.701 8.649 -10.323 1.00 0.00 N ATOM 802 CA THR A 53 9.714 10.069 -9.967 1.00 0.00 C ATOM 803 C THR A 53 8.307 10.604 -9.685 1.00 0.00 C ATOM 804 O THR A 53 8.154 11.589 -8.980 1.00 0.00 O ATOM 805 CB THR A 53 10.354 10.884 -11.105 1.00 0.00 C ATOM 806 OG1 THR A 53 11.767 10.745 -11.045 1.00 0.00 O ATOM 807 CG2 THR A 53 9.982 12.369 -10.969 1.00 0.00 C ATOM 0 H THR A 53 10.098 8.439 -11.239 1.00 0.00 H new ATOM 0 HA THR A 53 10.300 10.173 -9.054 1.00 0.00 H new ATOM 0 HB THR A 53 9.985 10.512 -12.061 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.178 11.262 -11.770 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.441 12.935 -11.780 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.899 12.479 -11.018 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.342 12.748 -10.013 1.00 0.00 H new ATOM 815 N ASP A 54 7.294 9.982 -10.248 1.00 0.00 N ATOM 816 CA ASP A 54 5.929 10.454 -10.045 1.00 0.00 C ATOM 817 C ASP A 54 5.418 10.084 -8.653 1.00 0.00 C ATOM 818 O ASP A 54 4.591 10.789 -8.075 1.00 0.00 O ATOM 819 CB ASP A 54 5.017 9.841 -11.103 1.00 0.00 C ATOM 820 CG ASP A 54 3.602 10.388 -10.957 1.00 0.00 C ATOM 821 OD1 ASP A 54 2.967 10.080 -9.963 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.173 11.108 -11.845 1.00 0.00 O ATOM 0 H ASP A 54 7.380 9.158 -10.843 1.00 0.00 H new ATOM 0 HA ASP A 54 5.925 11.540 -10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.401 10.065 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.008 8.756 -11.001 1.00 0.00 H new ATOM 827 N LEU A 55 5.889 8.958 -8.142 1.00 0.00 N ATOM 828 CA LEU A 55 5.455 8.465 -6.831 1.00 0.00 C ATOM 829 C LEU A 55 5.905 9.378 -5.684 1.00 0.00 C ATOM 830 O LEU A 55 5.076 9.892 -4.934 1.00 0.00 O ATOM 831 CB LEU A 55 6.013 7.055 -6.580 1.00 0.00 C ATOM 832 CG LEU A 55 5.413 6.040 -7.576 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.806 6.410 -9.009 1.00 0.00 C ATOM 834 CD2 LEU A 55 5.948 4.638 -7.243 1.00 0.00 C ATOM 0 H LEU A 55 6.573 8.363 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 55 4.365 8.449 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.099 7.067 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.787 6.746 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 55 4.326 6.054 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.377 5.687 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.429 7.406 -9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.892 6.402 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.530 3.913 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.035 4.635 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.659 4.370 -6.227 1.00 0.00 H new ATOM 846 N LYS A 56 7.219 9.546 -5.528 1.00 0.00 N ATOM 847 CA LYS A 56 7.762 10.365 -4.436 1.00 0.00 C ATOM 848 C LYS A 56 7.231 11.798 -4.442 1.00 0.00 C ATOM 849 O LYS A 56 7.028 12.392 -3.384 1.00 0.00 O ATOM 850 CB LYS A 56 9.287 10.412 -4.529 1.00 0.00 C ATOM 851 CG LYS A 56 9.845 11.282 -3.399 1.00 0.00 C ATOM 852 CD LYS A 56 11.344 11.012 -3.207 1.00 0.00 C ATOM 853 CE LYS A 56 12.057 10.986 -4.563 1.00 0.00 C ATOM 854 NZ LYS A 56 13.523 11.146 -4.354 1.00 0.00 N ATOM 0 H LYS A 56 7.924 9.131 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 56 7.440 9.893 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.697 9.404 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.590 10.815 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.685 12.335 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.310 11.074 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.781 11.783 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.487 10.060 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.852 10.046 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.680 11.786 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.823 12.079 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.740 11.068 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.031 10.403 -4.875 1.00 0.00 H new ATOM 868 N ILE A 57 7.026 12.356 -5.623 1.00 0.00 N ATOM 869 CA ILE A 57 6.540 13.728 -5.722 1.00 0.00 C ATOM 870 C ILE A 57 5.055 13.794 -5.405 1.00 0.00 C ATOM 871 O ILE A 57 4.574 14.794 -4.888 1.00 0.00 O ATOM 872 CB ILE A 57 6.842 14.291 -7.112 1.00 0.00 C ATOM 873 CG1 ILE A 57 5.992 13.569 -8.164 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.329 14.067 -7.399 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.362 14.056 -9.572 1.00 0.00 C ATOM 0 H ILE A 57 7.185 11.891 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 57 7.059 14.343 -4.987 1.00 0.00 H new ATOM 0 HB ILE A 57 6.605 15.354 -7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.148 12.493 -8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.934 13.752 -7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.572 14.460 -8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.926 14.582 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.549 13.000 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.751 13.535 -10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.183 15.129 -9.645 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.415 13.850 -9.763 1.00 0.00 H new ATOM 887 N GLY A 58 4.336 12.719 -5.691 1.00 0.00 N ATOM 888 CA GLY A 58 2.909 12.681 -5.400 1.00 0.00 C ATOM 889 C GLY A 58 2.652 13.008 -3.941 1.00 0.00 C ATOM 890 O GLY A 58 1.573 13.466 -3.566 1.00 0.00 O ATOM 0 H GLY A 58 4.710 11.872 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.384 13.394 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.511 11.693 -5.632 1.00 0.00 H new ATOM 894 N LEU A 59 3.642 12.707 -3.124 1.00 0.00 N ATOM 895 CA LEU A 59 3.542 12.892 -1.684 1.00 0.00 C ATOM 896 C LEU A 59 3.851 14.317 -1.260 1.00 0.00 C ATOM 897 O LEU A 59 2.972 15.011 -0.746 1.00 0.00 O ATOM 898 CB LEU A 59 4.496 11.910 -1.009 1.00 0.00 C ATOM 899 CG LEU A 59 4.519 10.606 -1.820 1.00 0.00 C ATOM 900 CD1 LEU A 59 5.319 9.563 -1.063 1.00 0.00 C ATOM 901 CD2 LEU A 59 3.077 10.108 -2.065 1.00 0.00 C ATOM 0 H LEU A 59 4.537 12.328 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 59 2.514 12.700 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.498 12.336 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.174 11.713 0.013 1.00 0.00 H new ATOM 0 HG LEU A 59 4.988 10.785 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.339 8.635 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.338 9.921 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.856 9.382 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.104 9.183 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.588 9.926 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.520 10.864 -2.619 1.00 0.00 H new ATOM 913 N ALA A 60 5.078 14.770 -1.474 1.00 0.00 N ATOM 914 CA ALA A 60 5.425 16.131 -1.101 1.00 0.00 C ATOM 915 C ALA A 60 4.791 17.095 -2.087 1.00 0.00 C ATOM 916 O ALA A 60 4.606 18.276 -1.792 1.00 0.00 O ATOM 917 CB ALA A 60 6.948 16.307 -1.099 1.00 0.00 C ATOM 0 H ALA A 60 5.834 14.229 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 60 5.052 16.338 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.196 17.331 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.393 15.616 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.340 16.099 -2.095 1.00 0.00 H new ATOM 923 N GLY A 61 4.454 16.577 -3.265 1.00 0.00 N ATOM 924 CA GLY A 61 3.828 17.407 -4.291 1.00 0.00 C ATOM 925 C GLY A 61 4.820 18.406 -4.881 1.00 0.00 C ATOM 926 O GLY A 61 4.468 19.184 -5.766 1.00 0.00 O ATOM 0 H GLY A 61 4.600 15.603 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.434 16.772 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.982 17.943 -3.861 1.00 0.00 H new ATOM 930 N SER A 62 6.061 18.389 -4.388 1.00 0.00 N ATOM 931 CA SER A 62 7.087 19.315 -4.881 1.00 0.00 C ATOM 932 C SER A 62 8.416 18.605 -5.106 1.00 0.00 C ATOM 933 O SER A 62 9.211 18.443 -4.181 1.00 0.00 O ATOM 934 CB SER A 62 7.283 20.454 -3.881 1.00 0.00 C ATOM 935 OG SER A 62 8.451 21.185 -4.223 1.00 0.00 O ATOM 0 H SER A 62 6.379 17.753 -3.657 1.00 0.00 H new ATOM 0 HA SER A 62 6.745 19.714 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.414 21.112 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.373 20.055 -2.871 1.00 0.00 H new ATOM 0 HG SER A 62 8.828 21.596 -3.417 1.00 0.00 H new ATOM 941 N GLU A 63 8.651 18.194 -6.349 1.00 0.00 N ATOM 942 CA GLU A 63 9.888 17.511 -6.699 1.00 0.00 C ATOM 943 C GLU A 63 11.096 18.339 -6.284 1.00 0.00 C ATOM 944 O GLU A 63 12.236 17.885 -6.378 1.00 0.00 O ATOM 945 CB GLU A 63 9.928 17.250 -8.208 1.00 0.00 C ATOM 946 CG GLU A 63 11.161 16.411 -8.562 1.00 0.00 C ATOM 947 CD GLU A 63 10.992 15.788 -9.944 1.00 0.00 C ATOM 948 OE1 GLU A 63 10.247 16.345 -10.735 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.608 14.766 -10.192 1.00 0.00 O ATOM 0 H GLU A 63 8.003 18.322 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 63 9.922 16.560 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.022 16.730 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.954 18.196 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.054 17.036 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.304 15.628 -7.817 1.00 0.00 H new ATOM 956 N GLU A 64 10.842 19.556 -5.816 1.00 0.00 N ATOM 957 CA GLU A 64 11.917 20.438 -5.378 1.00 0.00 C ATOM 958 C GLU A 64 12.208 20.239 -3.892 1.00 0.00 C ATOM 959 O GLU A 64 13.346 20.400 -3.450 1.00 0.00 O ATOM 960 CB GLU A 64 11.525 21.896 -5.631 1.00 0.00 C ATOM 961 CG GLU A 64 11.198 22.090 -7.114 1.00 0.00 C ATOM 962 CD GLU A 64 11.173 23.576 -7.454 1.00 0.00 C ATOM 963 OE1 GLU A 64 12.234 24.177 -7.472 1.00 0.00 O ATOM 964 OE2 GLU A 64 10.093 24.092 -7.689 1.00 0.00 O ATOM 0 H GLU A 64 9.906 19.953 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 64 12.815 20.195 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.662 22.162 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.340 22.558 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.941 21.581 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.232 21.640 -7.344 1.00 0.00 H new ATOM 971 N ASP A 65 11.170 19.912 -3.114 1.00 0.00 N ATOM 972 CA ASP A 65 11.325 19.723 -1.667 1.00 0.00 C ATOM 973 C ASP A 65 11.381 18.246 -1.274 1.00 0.00 C ATOM 974 O ASP A 65 11.715 17.925 -0.132 1.00 0.00 O ATOM 975 CB ASP A 65 10.151 20.394 -0.942 1.00 0.00 C ATOM 976 CG ASP A 65 10.326 21.911 -0.948 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.997 22.413 -0.061 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.787 22.546 -1.839 1.00 0.00 O ATOM 0 H ASP A 65 10.220 19.774 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 65 12.272 20.177 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.213 20.127 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.092 20.031 0.084 1.00 0.00 H new ATOM 983 N VAL A 66 11.054 17.347 -2.195 1.00 0.00 N ATOM 984 CA VAL A 66 11.085 15.923 -1.866 1.00 0.00 C ATOM 985 C VAL A 66 12.438 15.542 -1.278 1.00 0.00 C ATOM 986 O VAL A 66 12.547 14.576 -0.524 1.00 0.00 O ATOM 987 CB VAL A 66 10.806 15.060 -3.100 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.333 15.144 -3.465 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.627 15.543 -4.290 1.00 0.00 C ATOM 0 H VAL A 66 10.772 17.567 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 66 10.303 15.740 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 66 11.079 14.032 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.140 14.528 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.730 14.785 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.071 16.179 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.415 14.917 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.366 16.577 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.688 15.481 -4.049 1.00 0.00 H new ATOM 999 N ASP A 67 13.464 16.308 -1.625 1.00 0.00 N ATOM 1000 CA ASP A 67 14.803 16.039 -1.121 1.00 0.00 C ATOM 1001 C ASP A 67 14.787 15.962 0.402 1.00 0.00 C ATOM 1002 O ASP A 67 15.660 15.346 1.012 1.00 0.00 O ATOM 1003 CB ASP A 67 15.762 17.143 -1.571 1.00 0.00 C ATOM 1004 CG ASP A 67 15.299 18.490 -1.026 1.00 0.00 C ATOM 1005 OD1 ASP A 67 14.254 18.951 -1.456 1.00 0.00 O ATOM 1006 OD2 ASP A 67 15.995 19.039 -0.188 1.00 0.00 O ATOM 0 H ASP A 67 13.396 17.113 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 67 15.142 15.083 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.770 16.926 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.805 17.177 -2.660 1.00 0.00 H new ATOM 1011 N MET A 68 13.784 16.594 1.010 1.00 0.00 N ATOM 1012 CA MET A 68 13.649 16.599 2.466 1.00 0.00 C ATOM 1013 C MET A 68 12.712 15.484 2.924 1.00 0.00 C ATOM 1014 O MET A 68 12.872 14.936 4.015 1.00 0.00 O ATOM 1015 CB MET A 68 13.098 17.948 2.931 1.00 0.00 C ATOM 1016 CG MET A 68 13.910 19.079 2.295 1.00 0.00 C ATOM 1017 SD MET A 68 15.644 18.931 2.795 1.00 0.00 S ATOM 1018 CE MET A 68 16.067 20.688 2.683 1.00 0.00 C ATOM 0 H MET A 68 13.054 17.109 0.518 1.00 0.00 H new ATOM 0 HA MET A 68 14.634 16.433 2.903 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.048 18.039 2.653 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.147 18.018 4.018 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.828 19.034 1.209 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.512 20.045 2.605 1.00 0.00 H new ATOM 0 HE1 MET A 68 17.113 20.828 2.955 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.907 21.036 1.663 1.00 0.00 H new ATOM 0 HE3 MET A 68 15.436 21.258 3.364 1.00 0.00 H new ATOM 1028 N LEU A 69 11.735 15.152 2.085 1.00 0.00 N ATOM 1029 CA LEU A 69 10.778 14.101 2.416 1.00 0.00 C ATOM 1030 C LEU A 69 11.513 12.845 2.881 1.00 0.00 C ATOM 1031 O LEU A 69 12.415 12.355 2.202 1.00 0.00 O ATOM 1032 CB LEU A 69 9.914 13.784 1.190 1.00 0.00 C ATOM 1033 CG LEU A 69 8.791 12.794 1.556 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.745 13.469 2.459 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.113 12.309 0.269 1.00 0.00 C ATOM 0 H LEU A 69 11.585 15.592 1.177 1.00 0.00 H new ATOM 0 HA LEU A 69 10.135 14.447 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.481 14.704 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.535 13.361 0.401 1.00 0.00 H new ATOM 0 HG LEU A 69 9.224 11.952 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.961 12.753 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.224 13.813 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.308 14.320 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.317 11.608 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.692 13.161 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.848 11.812 -0.365 1.00 0.00 H new ATOM 1047 N ASP A 70 11.125 12.337 4.049 1.00 0.00 N ATOM 1048 CA ASP A 70 11.755 11.142 4.610 1.00 0.00 C ATOM 1049 C ASP A 70 12.049 10.107 3.527 1.00 0.00 C ATOM 1050 O ASP A 70 13.013 9.349 3.628 1.00 0.00 O ATOM 1051 CB ASP A 70 10.842 10.525 5.673 1.00 0.00 C ATOM 1052 CG ASP A 70 10.838 11.395 6.925 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.789 11.310 7.685 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.885 12.134 7.105 1.00 0.00 O ATOM 0 H ASP A 70 10.381 12.732 4.624 1.00 0.00 H new ATOM 0 HA ASP A 70 12.701 11.441 5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.829 10.430 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.184 9.520 5.920 1.00 0.00 H new ATOM 1059 N THR A 71 11.216 10.079 2.494 1.00 0.00 N ATOM 1060 CA THR A 71 11.407 9.128 1.405 1.00 0.00 C ATOM 1061 C THR A 71 12.875 9.159 0.934 1.00 0.00 C ATOM 1062 O THR A 71 13.311 10.157 0.361 1.00 0.00 O ATOM 1063 CB THR A 71 10.468 9.489 0.240 1.00 0.00 C ATOM 1064 OG1 THR A 71 9.253 9.999 0.765 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.166 8.245 -0.602 1.00 0.00 C ATOM 0 H THR A 71 10.411 10.696 2.387 1.00 0.00 H new ATOM 0 HA THR A 71 11.173 8.123 1.755 1.00 0.00 H new ATOM 0 HB THR A 71 10.951 10.237 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.506 9.708 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.501 8.514 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.096 7.844 -1.005 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.686 7.491 0.022 1.00 0.00 H new ATOM 1073 N PRO A 72 13.655 8.121 1.180 1.00 0.00 N ATOM 1074 CA PRO A 72 15.099 8.092 0.782 1.00 0.00 C ATOM 1075 C PRO A 72 15.319 7.748 -0.694 1.00 0.00 C ATOM 1076 O PRO A 72 16.348 7.173 -1.052 1.00 0.00 O ATOM 1077 CB PRO A 72 15.679 7.004 1.691 1.00 0.00 C ATOM 1078 CG PRO A 72 14.556 6.034 1.880 1.00 0.00 C ATOM 1079 CD PRO A 72 13.266 6.864 1.858 1.00 0.00 C ATOM 0 HA PRO A 72 15.570 9.069 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.544 6.525 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.010 7.418 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.551 5.285 1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.659 5.499 2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.471 6.350 1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.897 7.053 2.866 1.00 0.00 H new ATOM 1087 N MET A 73 14.362 8.099 -1.544 1.00 0.00 N ATOM 1088 CA MET A 73 14.478 7.820 -2.975 1.00 0.00 C ATOM 1089 C MET A 73 14.712 6.333 -3.248 1.00 0.00 C ATOM 1090 O MET A 73 14.699 5.905 -4.399 1.00 0.00 O ATOM 1091 CB MET A 73 15.632 8.628 -3.569 1.00 0.00 C ATOM 1092 CG MET A 73 15.753 8.347 -5.070 1.00 0.00 C ATOM 1093 SD MET A 73 16.649 9.706 -5.865 1.00 0.00 S ATOM 1094 CE MET A 73 18.013 9.814 -4.680 1.00 0.00 C ATOM 0 H MET A 73 13.501 8.574 -1.273 1.00 0.00 H new ATOM 0 HA MET A 73 13.536 8.107 -3.443 1.00 0.00 H new ATOM 0 HB2 MET A 73 15.465 9.692 -3.403 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.564 8.369 -3.066 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.277 7.406 -5.234 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.763 8.241 -5.513 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.857 10.327 -5.142 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.688 10.370 -3.801 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.317 8.810 -4.383 1.00 0.00 H new ATOM 1104 N SER A 74 14.924 5.546 -2.192 1.00 0.00 N ATOM 1105 CA SER A 74 15.157 4.109 -2.341 1.00 0.00 C ATOM 1106 C SER A 74 13.882 3.342 -2.025 1.00 0.00 C ATOM 1107 O SER A 74 13.750 2.164 -2.353 1.00 0.00 O ATOM 1108 CB SER A 74 16.269 3.662 -1.392 1.00 0.00 C ATOM 1109 OG SER A 74 16.609 2.309 -1.670 1.00 0.00 O ATOM 0 H SER A 74 14.939 5.878 -1.228 1.00 0.00 H new ATOM 0 HA SER A 74 15.455 3.904 -3.369 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.144 4.301 -1.512 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.941 3.761 -0.357 1.00 0.00 H new ATOM 0 HG SER A 74 15.847 1.861 -2.094 1.00 0.00 H new ATOM 1115 N ALA A 75 12.948 4.026 -1.375 1.00 0.00 N ATOM 1116 CA ALA A 75 11.682 3.416 -1.000 1.00 0.00 C ATOM 1117 C ALA A 75 10.771 3.239 -2.214 1.00 0.00 C ATOM 1118 O ALA A 75 9.984 2.297 -2.267 1.00 0.00 O ATOM 1119 CB ALA A 75 10.995 4.284 0.051 1.00 0.00 C ATOM 0 H ALA A 75 13.045 5.003 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 75 11.881 2.427 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.046 3.829 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.635 4.366 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.814 5.277 -0.360 1.00 0.00 H new ATOM 1125 N LEU A 76 10.877 4.132 -3.193 1.00 0.00 N ATOM 1126 CA LEU A 76 10.043 4.002 -4.379 1.00 0.00 C ATOM 1127 C LEU A 76 10.445 2.739 -5.121 1.00 0.00 C ATOM 1128 O LEU A 76 9.604 1.894 -5.432 1.00 0.00 O ATOM 1129 CB LEU A 76 10.188 5.195 -5.329 1.00 0.00 C ATOM 1130 CG LEU A 76 9.981 6.531 -4.600 1.00 0.00 C ATOM 1131 CD1 LEU A 76 8.707 6.475 -3.752 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.188 6.869 -3.702 1.00 0.00 C ATOM 0 H LEU A 76 11.512 4.930 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 76 9.004 3.961 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.178 5.179 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.463 5.106 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 76 9.883 7.313 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.569 7.427 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.849 6.282 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.795 5.676 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.012 7.820 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.319 6.084 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.087 6.943 -4.314 1.00 0.00 H new ATOM 1144 N LYS A 77 11.744 2.608 -5.388 1.00 0.00 N ATOM 1145 CA LYS A 77 12.249 1.432 -6.080 1.00 0.00 C ATOM 1146 C LYS A 77 11.676 0.183 -5.422 1.00 0.00 C ATOM 1147 O LYS A 77 11.346 -0.797 -6.091 1.00 0.00 O ATOM 1148 CB LYS A 77 13.781 1.384 -6.022 1.00 0.00 C ATOM 1149 CG LYS A 77 14.375 2.492 -6.905 1.00 0.00 C ATOM 1150 CD LYS A 77 14.046 3.872 -6.313 1.00 0.00 C ATOM 1151 CE LYS A 77 15.060 4.915 -6.800 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.446 4.616 -8.209 1.00 0.00 N ATOM 0 H LYS A 77 12.455 3.295 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 77 11.944 1.479 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.118 1.508 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.136 0.410 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.455 2.368 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.974 2.416 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.039 4.170 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.061 3.821 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.629 5.914 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.943 4.906 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.830 5.474 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.168 3.867 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.609 4.298 -8.738 1.00 0.00 H new ATOM 1166 N ASP A 78 11.549 0.242 -4.098 1.00 0.00 N ATOM 1167 CA ASP A 78 11.003 -0.867 -3.339 1.00 0.00 C ATOM 1168 C ASP A 78 9.506 -0.986 -3.621 1.00 0.00 C ATOM 1169 O ASP A 78 9.034 -2.022 -4.090 1.00 0.00 O ATOM 1170 CB ASP A 78 11.253 -0.637 -1.835 1.00 0.00 C ATOM 1171 CG ASP A 78 12.647 -1.129 -1.448 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.607 -0.626 -2.005 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.730 -2.001 -0.599 1.00 0.00 O ATOM 0 H ASP A 78 11.818 1.048 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 78 11.493 -1.794 -3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.156 0.423 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.499 -1.163 -1.249 1.00 0.00 H new ATOM 1178 N ALA A 79 8.766 0.080 -3.329 1.00 0.00 N ATOM 1179 CA ALA A 79 7.325 0.086 -3.550 1.00 0.00 C ATOM 1180 C ALA A 79 6.984 -0.106 -5.030 1.00 0.00 C ATOM 1181 O ALA A 79 6.331 -1.083 -5.391 1.00 0.00 O ATOM 1182 CB ALA A 79 6.735 1.407 -3.056 1.00 0.00 C ATOM 0 H ALA A 79 9.139 0.946 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 79 6.895 -0.746 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.658 1.409 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.938 1.521 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.188 2.235 -3.602 1.00 0.00 H new ATOM 1188 N VAL A 80 7.409 0.845 -5.872 1.00 0.00 N ATOM 1189 CA VAL A 80 7.127 0.790 -7.314 1.00 0.00 C ATOM 1190 C VAL A 80 7.143 -0.648 -7.833 1.00 0.00 C ATOM 1191 O VAL A 80 6.495 -0.970 -8.829 1.00 0.00 O ATOM 1192 CB VAL A 80 8.136 1.648 -8.082 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.432 0.869 -8.322 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.539 2.057 -9.434 1.00 0.00 C ATOM 0 H VAL A 80 7.948 1.660 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 80 6.126 1.189 -7.476 1.00 0.00 H new ATOM 0 HB VAL A 80 8.359 2.535 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.137 1.495 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.868 0.584 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.215 -0.027 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.258 2.668 -9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.307 1.164 -10.014 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.627 2.630 -9.270 1.00 0.00 H new ATOM 1204 N ARG A 81 7.883 -1.500 -7.141 1.00 0.00 N ATOM 1205 CA ARG A 81 7.982 -2.902 -7.520 1.00 0.00 C ATOM 1206 C ARG A 81 6.735 -3.644 -7.064 1.00 0.00 C ATOM 1207 O ARG A 81 6.046 -4.290 -7.853 1.00 0.00 O ATOM 1208 CB ARG A 81 9.209 -3.542 -6.866 1.00 0.00 C ATOM 1209 CG ARG A 81 9.468 -4.917 -7.491 1.00 0.00 C ATOM 1210 CD ARG A 81 10.424 -5.716 -6.602 1.00 0.00 C ATOM 1211 NE ARG A 81 11.739 -5.085 -6.582 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.727 -5.579 -5.843 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.531 -6.644 -5.117 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.896 -4.996 -5.844 1.00 0.00 N ATOM 0 H ARG A 81 8.424 -1.246 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 81 8.077 -2.965 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.080 -2.901 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.050 -3.644 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.528 -5.457 -7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.895 -4.800 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.026 -5.776 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.508 -6.738 -6.972 1.00 0.00 H new ATOM 0 HE ARG A 81 11.903 -4.250 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.618 -7.099 -5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.290 -7.022 -4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.050 -4.163 -6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.655 -5.374 -5.277 1.00 0.00 H new ATOM 1228 N ILE A 82 6.476 -3.560 -5.770 1.00 0.00 N ATOM 1229 CA ILE A 82 5.336 -4.234 -5.177 1.00 0.00 C ATOM 1230 C ILE A 82 4.048 -3.991 -5.978 1.00 0.00 C ATOM 1231 O ILE A 82 3.283 -4.930 -6.199 1.00 0.00 O ATOM 1232 CB ILE A 82 5.173 -3.788 -3.714 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.232 -4.487 -2.851 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.780 -4.162 -3.202 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.245 -3.866 -1.454 1.00 0.00 C ATOM 0 H ILE A 82 7.043 -3.029 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 82 5.523 -5.308 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 82 5.298 -2.707 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.016 -5.553 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.215 -4.389 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.675 -3.842 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.023 -3.669 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.648 -5.242 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.997 -4.363 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.482 -2.805 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.265 -3.987 -0.993 1.00 0.00 H new ATOM 1247 N LEU A 83 3.787 -2.752 -6.413 1.00 0.00 N ATOM 1248 CA LEU A 83 2.559 -2.504 -7.176 1.00 0.00 C ATOM 1249 C LEU A 83 2.718 -3.035 -8.593 1.00 0.00 C ATOM 1250 O LEU A 83 1.766 -3.555 -9.178 1.00 0.00 O ATOM 1251 CB LEU A 83 2.142 -1.003 -7.236 1.00 0.00 C ATOM 1252 CG LEU A 83 2.707 -0.164 -6.069 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.742 -0.945 -4.746 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.088 0.345 -6.429 1.00 0.00 C ATOM 0 H LEU A 83 4.381 -1.937 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 83 1.764 -3.028 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.483 -0.576 -8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.054 -0.935 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 83 2.036 0.681 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.148 -0.309 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.731 -1.253 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.372 -1.827 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.484 0.937 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.749 -0.500 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.025 0.965 -7.323 1.00 0.00 H new ATOM 1266 N TRP A 84 3.920 -2.908 -9.146 1.00 0.00 N ATOM 1267 CA TRP A 84 4.166 -3.394 -10.507 1.00 0.00 C ATOM 1268 C TRP A 84 3.594 -4.807 -10.666 1.00 0.00 C ATOM 1269 O TRP A 84 3.324 -5.256 -11.781 1.00 0.00 O ATOM 1270 CB TRP A 84 5.691 -3.396 -10.790 1.00 0.00 C ATOM 1271 CG TRP A 84 6.060 -2.387 -11.838 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.784 -2.659 -12.946 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.753 -0.963 -11.887 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.942 -1.495 -13.674 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.324 -0.423 -13.064 1.00 0.00 C ATOM 1276 CE3 TRP A 84 5.041 -0.098 -11.037 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.197 0.930 -13.384 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.911 1.264 -11.357 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.488 1.775 -12.529 1.00 0.00 C ATOM 0 H TRP A 84 4.726 -2.483 -8.688 1.00 0.00 H new ATOM 0 HA TRP A 84 3.674 -2.735 -11.222 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.233 -3.180 -9.869 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.000 -4.389 -11.116 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.175 -3.628 -13.218 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.453 -1.436 -14.555 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.592 -0.483 -10.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.644 1.320 -14.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.364 1.921 -10.697 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.384 2.823 -12.770 1.00 0.00 H new ATOM 1290 N GLY A 85 3.421 -5.499 -9.543 1.00 0.00 N ATOM 1291 CA GLY A 85 2.890 -6.860 -9.560 1.00 0.00 C ATOM 1292 C GLY A 85 4.018 -7.873 -9.725 1.00 0.00 C ATOM 1293 O GLY A 85 3.776 -9.046 -10.009 1.00 0.00 O ATOM 0 H GLY A 85 3.640 -5.142 -8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.349 -7.057 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.175 -6.967 -10.376 1.00 0.00 H new ATOM 1297 N GLU A 86 5.253 -7.410 -9.536 1.00 0.00 N ATOM 1298 CA GLU A 86 6.431 -8.272 -9.658 1.00 0.00 C ATOM 1299 C GLU A 86 7.039 -8.513 -8.279 1.00 0.00 C ATOM 1300 O GLU A 86 8.072 -9.169 -8.149 1.00 0.00 O ATOM 1301 CB GLU A 86 7.467 -7.608 -10.580 1.00 0.00 C ATOM 1302 CG GLU A 86 8.408 -8.666 -11.168 1.00 0.00 C ATOM 1303 CD GLU A 86 7.694 -9.445 -12.269 1.00 0.00 C ATOM 1304 OE1 GLU A 86 7.447 -8.864 -13.313 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.405 -10.610 -12.052 1.00 0.00 O ATOM 0 H GLU A 86 5.465 -6.441 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 86 6.134 -9.229 -10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.960 -7.075 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.042 -6.870 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.301 -8.187 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.738 -9.348 -10.384 1.00 0.00 H new ATOM 1312 N ALA A 87 6.380 -7.962 -7.256 1.00 0.00 N ATOM 1313 CA ALA A 87 6.828 -8.093 -5.867 1.00 0.00 C ATOM 1314 C ALA A 87 7.599 -9.397 -5.633 1.00 0.00 C ATOM 1315 O ALA A 87 8.625 -9.408 -4.953 1.00 0.00 O ATOM 1316 CB ALA A 87 5.603 -8.036 -4.936 1.00 0.00 C ATOM 0 H ALA A 87 5.526 -7.416 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 87 7.508 -7.269 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.928 -8.133 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.090 -7.083 -5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.922 -8.851 -5.180 1.00 0.00 H new ATOM 1322 N GLU A 88 7.094 -10.489 -6.197 1.00 0.00 N ATOM 1323 CA GLU A 88 7.743 -11.785 -6.038 1.00 0.00 C ATOM 1324 C GLU A 88 9.193 -11.724 -6.503 1.00 0.00 C ATOM 1325 O GLU A 88 9.495 -11.158 -7.554 1.00 0.00 O ATOM 1326 CB GLU A 88 6.993 -12.850 -6.841 1.00 0.00 C ATOM 1327 CG GLU A 88 6.907 -12.421 -8.308 1.00 0.00 C ATOM 1328 CD GLU A 88 6.024 -13.391 -9.084 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.819 -13.334 -8.909 1.00 0.00 O ATOM 1330 OE2 GLU A 88 6.568 -14.178 -9.843 1.00 0.00 O ATOM 0 H GLU A 88 6.246 -10.503 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 88 7.725 -12.047 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.506 -13.808 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.992 -12.990 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.501 -11.412 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.904 -12.394 -8.747 1.00 0.00 H new