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 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.253 F(o=-2.7!,f=-0.25) USER MOD Single : A 48 GLN : amide:sc= -1.77! X(o=-1.8!,f=-2.2) 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+ 175:sc= -1.04 (180deg=-1.12) USER MOD Single : A 62 SER OG : rot -170:sc=0.000344 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -131:sc= -4.18! USER MOD Single : A 73 MET CE :methyl -160:sc= -0.113 (180deg=-1.35!) USER MOD Single : A 74 SER OG : rot 6:sc= 0.315! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.198 -6.621 -1.793 1.00 0.00 N ATOM 184 CA LEU A 13 -3.563 -7.008 -0.532 1.00 0.00 C ATOM 185 C LEU A 13 -2.082 -6.611 -0.542 1.00 0.00 C ATOM 186 O LEU A 13 -1.523 -6.257 0.492 1.00 0.00 O ATOM 187 CB LEU A 13 -3.678 -8.540 -0.368 1.00 0.00 C ATOM 188 CG LEU A 13 -4.929 -8.950 0.444 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.150 -8.077 0.093 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.247 -10.421 0.133 1.00 0.00 C ATOM 0 HA LEU A 13 -4.060 -6.500 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.717 -9.007 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.785 -8.918 0.129 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.718 -8.810 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.008 -8.397 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.926 -7.033 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.380 -8.183 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.127 -10.730 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.441 -10.534 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.398 -11.044 0.415 1.00 0.00 H new ATOM 202 N ARG A 14 -1.450 -6.707 -1.711 1.00 0.00 N ATOM 203 CA ARG A 14 -0.025 -6.392 -1.833 1.00 0.00 C ATOM 204 C ARG A 14 0.231 -4.893 -1.973 1.00 0.00 C ATOM 205 O ARG A 14 1.293 -4.407 -1.582 1.00 0.00 O ATOM 206 CB ARG A 14 0.562 -7.116 -3.046 1.00 0.00 C ATOM 207 CG ARG A 14 -0.166 -6.665 -4.313 1.00 0.00 C ATOM 208 CD ARG A 14 0.295 -7.521 -5.495 1.00 0.00 C ATOM 209 NE ARG A 14 -0.244 -6.994 -6.745 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.354 -7.764 -7.825 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.027 -9.011 -7.775 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.840 -7.273 -8.932 1.00 0.00 N ATOM 0 H ARG A 14 -1.896 -6.998 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 14 0.458 -6.728 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.627 -6.901 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.463 -8.194 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.244 -6.759 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.040 -5.613 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.384 -7.536 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.033 -8.551 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.541 -6.019 -6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.408 -9.394 -6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.056 -9.603 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.136 -6.298 -8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.924 -7.864 -9.759 1.00 0.00 H new ATOM 226 N ILE A 15 -0.721 -4.161 -2.540 1.00 0.00 N ATOM 227 CA ILE A 15 -0.544 -2.728 -2.722 1.00 0.00 C ATOM 228 C ILE A 15 -0.442 -2.009 -1.381 1.00 0.00 C ATOM 229 O ILE A 15 0.043 -0.878 -1.313 1.00 0.00 O ATOM 230 CB ILE A 15 -1.713 -2.168 -3.529 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.730 -2.827 -4.916 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.553 -0.653 -3.679 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.111 -2.662 -5.544 1.00 0.00 C ATOM 0 H ILE A 15 -1.610 -4.530 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 15 0.388 -2.562 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.650 -2.379 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.972 -2.373 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.482 -3.885 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.388 -0.254 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.538 -0.189 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.618 -0.435 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.121 -3.130 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.859 -3.137 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.341 -1.601 -5.644 1.00 0.00 H new ATOM 245 N ALA A 16 -0.908 -2.659 -0.313 1.00 0.00 N ATOM 246 CA ALA A 16 -0.865 -2.058 1.016 1.00 0.00 C ATOM 247 C ALA A 16 0.437 -2.385 1.729 1.00 0.00 C ATOM 248 O ALA A 16 0.816 -1.701 2.676 1.00 0.00 O ATOM 249 CB ALA A 16 -2.062 -2.524 1.844 1.00 0.00 C ATOM 0 H ALA A 16 -1.316 -3.593 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.916 -0.975 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.019 -2.069 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.986 -2.227 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.036 -3.609 1.942 1.00 0.00 H new ATOM 255 N LEU A 17 1.141 -3.403 1.261 1.00 0.00 N ATOM 256 CA LEU A 17 2.419 -3.744 1.870 1.00 0.00 C ATOM 257 C LEU A 17 3.419 -2.660 1.495 1.00 0.00 C ATOM 258 O LEU A 17 4.338 -2.348 2.252 1.00 0.00 O ATOM 259 CB LEU A 17 2.907 -5.123 1.380 1.00 0.00 C ATOM 260 CG LEU A 17 2.418 -6.238 2.326 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.157 -6.169 3.683 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.901 -6.096 2.547 1.00 0.00 C ATOM 0 H LEU A 17 0.860 -3.996 0.480 1.00 0.00 H new ATOM 0 HA LEU A 17 2.313 -3.802 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.539 -5.308 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.996 -5.133 1.329 1.00 0.00 H new ATOM 0 HG LEU A 17 2.632 -7.204 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.796 -6.965 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.228 -6.290 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.968 -5.203 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.555 -6.884 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.687 -5.124 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.385 -6.179 1.591 1.00 0.00 H new ATOM 274 N ALA A 18 3.211 -2.086 0.317 1.00 0.00 N ATOM 275 CA ALA A 18 4.072 -1.024 -0.174 1.00 0.00 C ATOM 276 C ALA A 18 4.131 0.112 0.837 1.00 0.00 C ATOM 277 O ALA A 18 5.202 0.640 1.121 1.00 0.00 O ATOM 278 CB ALA A 18 3.538 -0.512 -1.510 1.00 0.00 C ATOM 0 H ALA A 18 2.452 -2.340 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 18 5.079 -1.415 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.184 0.285 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.521 -1.328 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.528 -0.126 -1.374 1.00 0.00 H new ATOM 284 N ALA A 19 2.974 0.478 1.388 1.00 0.00 N ATOM 285 CA ALA A 19 2.929 1.551 2.382 1.00 0.00 C ATOM 286 C ALA A 19 4.117 1.420 3.337 1.00 0.00 C ATOM 287 O ALA A 19 4.709 2.415 3.751 1.00 0.00 O ATOM 288 CB ALA A 19 1.614 1.503 3.167 1.00 0.00 C ATOM 0 H ALA A 19 2.071 0.057 1.169 1.00 0.00 H new ATOM 0 HA ALA A 19 2.986 2.510 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.599 2.308 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.776 1.622 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.530 0.544 3.678 1.00 0.00 H new ATOM 294 N ARG A 20 4.463 0.176 3.661 1.00 0.00 N ATOM 295 CA ARG A 20 5.589 -0.080 4.548 1.00 0.00 C ATOM 296 C ARG A 20 6.901 0.300 3.862 1.00 0.00 C ATOM 297 O ARG A 20 7.777 0.906 4.477 1.00 0.00 O ATOM 298 CB ARG A 20 5.619 -1.555 4.948 1.00 0.00 C ATOM 299 CG ARG A 20 4.262 -1.950 5.534 1.00 0.00 C ATOM 300 CD ARG A 20 4.389 -3.292 6.257 1.00 0.00 C ATOM 301 NE ARG A 20 5.322 -3.179 7.373 1.00 0.00 N ATOM 302 CZ ARG A 20 5.751 -4.257 8.022 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.352 -5.442 7.650 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.574 -4.131 9.027 1.00 0.00 N ATOM 0 H ARG A 20 3.984 -0.660 3.326 1.00 0.00 H new ATOM 0 HA ARG A 20 5.471 0.529 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.847 -2.174 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.408 -1.729 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.916 -1.183 6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.518 -2.021 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.412 -3.610 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.734 -4.057 5.561 1.00 0.00 H new ATOM 0 HE ARG A 20 5.651 -2.257 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.712 -5.541 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.680 -6.270 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.889 -3.205 9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.902 -4.959 9.524 1.00 0.00 H new ATOM 318 N ALA A 21 7.030 -0.053 2.581 1.00 0.00 N ATOM 319 CA ALA A 21 8.239 0.267 1.827 1.00 0.00 C ATOM 320 C ALA A 21 8.496 1.759 1.856 1.00 0.00 C ATOM 321 O ALA A 21 9.517 2.236 1.359 1.00 0.00 O ATOM 322 CB ALA A 21 8.075 -0.157 0.371 1.00 0.00 C ATOM 0 H ALA A 21 6.318 -0.556 2.050 1.00 0.00 H new ATOM 0 HA ALA A 21 9.073 -0.265 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.982 0.086 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.897 -1.231 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.229 0.371 -0.069 1.00 0.00 H new ATOM 328 N LEU A 22 7.554 2.494 2.430 1.00 0.00 N ATOM 329 CA LEU A 22 7.652 3.943 2.520 1.00 0.00 C ATOM 330 C LEU A 22 7.656 4.364 4.000 1.00 0.00 C ATOM 331 O LEU A 22 6.720 4.033 4.727 1.00 0.00 O ATOM 332 CB LEU A 22 6.440 4.569 1.822 1.00 0.00 C ATOM 333 CG LEU A 22 6.135 3.849 0.494 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.806 4.369 -0.057 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.263 4.093 -0.532 1.00 0.00 C ATOM 0 H LEU A 22 6.706 2.106 2.844 1.00 0.00 H new ATOM 0 HA LEU A 22 8.572 4.280 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.571 4.515 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.631 5.625 1.632 1.00 0.00 H new ATOM 0 HG LEU A 22 6.069 2.776 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.580 3.866 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.011 4.169 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.878 5.443 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.027 3.576 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.355 5.162 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.205 3.714 -0.135 1.00 0.00 H new ATOM 347 N PRO A 23 8.665 5.065 4.475 1.00 0.00 N ATOM 348 CA PRO A 23 8.721 5.490 5.905 1.00 0.00 C ATOM 349 C PRO A 23 7.846 6.713 6.194 1.00 0.00 C ATOM 350 O PRO A 23 8.349 7.832 6.296 1.00 0.00 O ATOM 351 CB PRO A 23 10.205 5.812 6.110 1.00 0.00 C ATOM 352 CG PRO A 23 10.667 6.307 4.777 1.00 0.00 C ATOM 353 CD PRO A 23 9.854 5.532 3.730 1.00 0.00 C ATOM 0 HA PRO A 23 8.340 4.722 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.344 6.567 6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.764 4.929 6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.503 7.380 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.735 6.135 4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.574 6.168 2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.423 4.697 3.321 1.00 0.00 H new ATOM 361 N GLY A 24 6.536 6.492 6.342 1.00 0.00 N ATOM 362 CA GLY A 24 5.603 7.586 6.642 1.00 0.00 C ATOM 363 C GLY A 24 4.397 7.583 5.703 1.00 0.00 C ATOM 364 O GLY A 24 3.252 7.620 6.154 1.00 0.00 O ATOM 0 H GLY A 24 6.099 5.574 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.260 7.498 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.124 8.540 6.560 1.00 0.00 H new ATOM 368 N THR A 25 4.657 7.556 4.401 1.00 0.00 N ATOM 369 CA THR A 25 3.581 7.571 3.412 1.00 0.00 C ATOM 370 C THR A 25 2.591 6.432 3.647 1.00 0.00 C ATOM 371 O THR A 25 2.982 5.304 3.941 1.00 0.00 O ATOM 372 CB THR A 25 4.162 7.449 2.005 1.00 0.00 C ATOM 373 OG1 THR A 25 5.235 8.368 1.853 1.00 0.00 O ATOM 374 CG2 THR A 25 3.078 7.750 0.976 1.00 0.00 C ATOM 0 H THR A 25 5.597 7.524 4.005 1.00 0.00 H new ATOM 0 HA THR A 25 3.050 8.518 3.515 1.00 0.00 H new ATOM 0 HB THR A 25 4.531 6.435 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.609 8.288 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.495 7.662 -0.027 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.259 7.040 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.704 8.763 1.127 1.00 0.00 H new ATOM 382 N THR A 26 1.302 6.747 3.514 1.00 0.00 N ATOM 383 CA THR A 26 0.244 5.766 3.711 1.00 0.00 C ATOM 384 C THR A 26 -0.084 5.050 2.395 1.00 0.00 C ATOM 385 O THR A 26 0.409 5.419 1.329 1.00 0.00 O ATOM 386 CB THR A 26 -1.008 6.492 4.261 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.684 7.854 4.497 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.461 5.860 5.577 1.00 0.00 C ATOM 0 H THR A 26 0.968 7.679 3.269 1.00 0.00 H new ATOM 0 HA THR A 26 0.575 5.011 4.424 1.00 0.00 H new ATOM 0 HB THR A 26 -1.813 6.408 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.472 8.322 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.342 6.384 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.706 4.811 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.659 5.934 6.311 1.00 0.00 H new ATOM 396 N VAL A 27 -0.913 4.017 2.498 1.00 0.00 N ATOM 397 CA VAL A 27 -1.309 3.227 1.334 1.00 0.00 C ATOM 398 C VAL A 27 -2.021 4.086 0.293 1.00 0.00 C ATOM 399 O VAL A 27 -1.589 4.167 -0.855 1.00 0.00 O ATOM 400 CB VAL A 27 -2.251 2.090 1.762 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.486 1.140 0.581 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.647 1.300 2.932 1.00 0.00 C ATOM 0 H VAL A 27 -1.326 3.705 3.377 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.400 2.818 0.893 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.197 2.527 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.154 0.336 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.937 1.691 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.534 0.718 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.328 0.500 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.692 0.872 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.491 1.967 3.780 1.00 0.00 H new ATOM 412 N GLY A 28 -3.125 4.700 0.696 1.00 0.00 N ATOM 413 CA GLY A 28 -3.907 5.524 -0.218 1.00 0.00 C ATOM 414 C GLY A 28 -3.212 6.841 -0.546 1.00 0.00 C ATOM 415 O GLY A 28 -3.797 7.703 -1.201 1.00 0.00 O ATOM 0 H GLY A 28 -3.498 4.644 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.086 4.971 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.881 5.730 0.225 1.00 0.00 H new ATOM 419 N GLN A 29 -1.968 7.004 -0.096 1.00 0.00 N ATOM 420 CA GLN A 29 -1.231 8.238 -0.368 1.00 0.00 C ATOM 421 C GLN A 29 -0.322 8.052 -1.578 1.00 0.00 C ATOM 422 O GLN A 29 0.090 9.025 -2.208 1.00 0.00 O ATOM 423 CB GLN A 29 -0.398 8.633 0.864 1.00 0.00 C ATOM 424 CG GLN A 29 -1.266 9.430 1.846 1.00 0.00 C ATOM 425 CD GLN A 29 -1.462 10.852 1.331 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.007 11.180 0.153 1.00 0.00 O flip ATOM 427 NE2 GLN A 29 -2.050 11.686 2.020 1.00 0.00 N flip ATOM 0 H GLN A 29 -1.456 6.310 0.449 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.943 9.034 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.008 7.740 1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.461 9.230 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.233 8.942 1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.793 9.452 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.405 11.428 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.182 12.635 1.670 1.00 0.00 H new ATOM 436 N LEU A 30 -0.009 6.799 -1.899 1.00 0.00 N ATOM 437 CA LEU A 30 0.857 6.503 -3.038 1.00 0.00 C ATOM 438 C LEU A 30 0.028 6.308 -4.305 1.00 0.00 C ATOM 439 O LEU A 30 0.545 6.424 -5.417 1.00 0.00 O ATOM 440 CB LEU A 30 1.691 5.244 -2.745 1.00 0.00 C ATOM 441 CG LEU A 30 0.820 3.960 -2.863 1.00 0.00 C ATOM 442 CD1 LEU A 30 1.046 3.281 -4.220 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.194 2.969 -1.752 1.00 0.00 C ATOM 0 H LEU A 30 -0.339 5.978 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 30 1.530 7.346 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.527 5.186 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.116 5.309 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.227 4.250 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.429 2.385 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.773 3.968 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.096 3.007 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.580 2.073 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.246 2.699 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.022 3.431 -0.780 1.00 0.00 H new ATOM 455 N LEU A 31 -1.259 6.004 -4.135 1.00 0.00 N ATOM 456 CA LEU A 31 -2.152 5.786 -5.274 1.00 0.00 C ATOM 457 C LEU A 31 -2.845 7.094 -5.675 1.00 0.00 C ATOM 458 O LEU A 31 -3.040 7.362 -6.859 1.00 0.00 O ATOM 459 CB LEU A 31 -3.205 4.722 -4.893 1.00 0.00 C ATOM 460 CG LEU A 31 -3.593 3.874 -6.113 1.00 0.00 C ATOM 461 CD1 LEU A 31 -4.713 2.906 -5.722 1.00 0.00 C ATOM 462 CD2 LEU A 31 -4.076 4.782 -7.251 1.00 0.00 C ATOM 0 H LEU A 31 -1.705 5.903 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.568 5.437 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.809 4.078 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.091 5.210 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.722 3.312 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.991 2.303 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.367 2.254 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.580 3.472 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.349 4.172 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.945 5.351 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.278 5.469 -7.532 1.00 0.00 H new ATOM 715 N LEU A 47 -1.747 0.606 -13.107 1.00 0.00 N ATOM 716 CA LEU A 47 -0.732 1.362 -12.374 1.00 0.00 C ATOM 717 C LEU A 47 0.563 1.448 -13.190 1.00 0.00 C ATOM 718 O LEU A 47 1.215 2.491 -13.227 1.00 0.00 O ATOM 719 CB LEU A 47 -0.465 0.684 -11.014 1.00 0.00 C ATOM 720 CG LEU A 47 -0.070 1.719 -9.937 1.00 0.00 C ATOM 721 CD1 LEU A 47 1.094 2.581 -10.439 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.272 2.623 -9.580 1.00 0.00 C ATOM 0 HA LEU A 47 -1.096 2.375 -12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.356 0.145 -10.693 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.331 -0.052 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 47 0.239 1.180 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.365 3.308 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.952 1.944 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.794 3.105 -11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.972 3.344 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.606 3.153 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.087 2.010 -9.196 1.00 0.00 H new ATOM 734 N GLN A 48 0.927 0.346 -13.840 1.00 0.00 N ATOM 735 CA GLN A 48 2.143 0.311 -14.649 1.00 0.00 C ATOM 736 C GLN A 48 2.056 1.313 -15.795 1.00 0.00 C ATOM 737 O GLN A 48 1.927 0.929 -16.958 1.00 0.00 O ATOM 738 CB GLN A 48 2.351 -1.090 -15.224 1.00 0.00 C ATOM 739 CG GLN A 48 2.482 -2.102 -14.085 1.00 0.00 C ATOM 740 CD GLN A 48 2.772 -3.488 -14.652 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.477 -3.615 -15.653 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.267 -4.543 -14.071 1.00 0.00 N ATOM 0 H GLN A 48 0.402 -0.529 -13.823 1.00 0.00 H new ATOM 0 HA GLN A 48 2.984 0.574 -14.008 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.512 -1.358 -15.866 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.247 -1.109 -15.845 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.283 -1.801 -13.410 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.563 -2.124 -13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.683 -4.438 -13.242 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.457 -5.472 -14.447 1.00 0.00 H new ATOM 751 N GLY A 49 2.127 2.596 -15.459 1.00 0.00 N ATOM 752 CA GLY A 49 2.055 3.649 -16.469 1.00 0.00 C ATOM 753 C GLY A 49 2.752 4.917 -15.990 1.00 0.00 C ATOM 754 O GLY A 49 2.650 5.967 -16.624 1.00 0.00 O ATOM 0 H GLY A 49 2.234 2.932 -14.502 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.518 3.303 -17.393 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.012 3.868 -16.697 1.00 0.00 H new ATOM 758 N VAL A 50 3.463 4.814 -14.865 1.00 0.00 N ATOM 759 CA VAL A 50 4.183 5.962 -14.298 1.00 0.00 C ATOM 760 C VAL A 50 5.647 5.584 -14.041 1.00 0.00 C ATOM 761 O VAL A 50 6.037 4.433 -14.229 1.00 0.00 O ATOM 762 CB VAL A 50 3.471 6.427 -12.994 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.085 5.772 -11.744 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.563 7.955 -12.853 1.00 0.00 C ATOM 0 H VAL A 50 3.557 3.952 -14.328 1.00 0.00 H new ATOM 0 HA VAL A 50 4.175 6.793 -15.003 1.00 0.00 H new ATOM 0 HB VAL A 50 2.428 6.120 -13.070 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.561 6.122 -10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.991 4.689 -11.818 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.139 6.041 -11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.061 8.267 -11.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.610 8.254 -12.813 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.083 8.429 -13.709 1.00 0.00 H new ATOM 774 N SER A 51 6.450 6.556 -13.606 1.00 0.00 N ATOM 775 CA SER A 51 7.867 6.318 -13.317 1.00 0.00 C ATOM 776 C SER A 51 8.118 6.556 -11.839 1.00 0.00 C ATOM 777 O SER A 51 7.306 7.192 -11.180 1.00 0.00 O ATOM 778 CB SER A 51 8.738 7.264 -14.141 1.00 0.00 C ATOM 779 OG SER A 51 8.442 7.097 -15.522 1.00 0.00 O ATOM 0 H SER A 51 6.144 7.516 -13.446 1.00 0.00 H new ATOM 0 HA SER A 51 8.120 5.290 -13.577 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.557 8.296 -13.841 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.792 7.059 -13.956 1.00 0.00 H new ATOM 0 HG SER A 51 8.999 7.705 -16.052 1.00 0.00 H new ATOM 785 N VAL A 52 9.241 6.055 -11.328 1.00 0.00 N ATOM 786 CA VAL A 52 9.575 6.229 -9.913 1.00 0.00 C ATOM 787 C VAL A 52 9.547 7.715 -9.523 1.00 0.00 C ATOM 788 O VAL A 52 8.978 8.085 -8.497 1.00 0.00 O ATOM 789 CB VAL A 52 10.965 5.608 -9.626 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.703 6.374 -8.515 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.791 4.147 -9.187 1.00 0.00 C ATOM 0 H VAL A 52 9.930 5.530 -11.866 1.00 0.00 H new ATOM 0 HA VAL A 52 8.828 5.715 -9.308 1.00 0.00 H new ATOM 0 HB VAL A 52 11.555 5.667 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.675 5.912 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.844 7.411 -8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.114 6.342 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.768 3.709 -8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.182 4.109 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.299 3.585 -9.981 1.00 0.00 H new ATOM 801 N THR A 53 10.189 8.549 -10.332 1.00 0.00 N ATOM 802 CA THR A 53 10.258 9.981 -10.048 1.00 0.00 C ATOM 803 C THR A 53 8.873 10.586 -9.813 1.00 0.00 C ATOM 804 O THR A 53 8.753 11.608 -9.155 1.00 0.00 O ATOM 805 CB THR A 53 10.946 10.709 -11.217 1.00 0.00 C ATOM 806 OG1 THR A 53 12.352 10.527 -11.117 1.00 0.00 O ATOM 807 CG2 THR A 53 10.623 12.211 -11.173 1.00 0.00 C ATOM 0 H THR A 53 10.668 8.263 -11.186 1.00 0.00 H new ATOM 0 HA THR A 53 10.836 10.108 -9.133 1.00 0.00 H new ATOM 0 HB THR A 53 10.582 10.297 -12.158 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.795 10.987 -11.860 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.116 12.714 -12.005 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.545 12.354 -11.250 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.979 12.632 -10.233 1.00 0.00 H new ATOM 815 N ASP A 54 7.842 9.977 -10.363 1.00 0.00 N ATOM 816 CA ASP A 54 6.494 10.508 -10.203 1.00 0.00 C ATOM 817 C ASP A 54 5.955 10.221 -8.804 1.00 0.00 C ATOM 818 O ASP A 54 5.151 10.982 -8.268 1.00 0.00 O ATOM 819 CB ASP A 54 5.571 9.888 -11.247 1.00 0.00 C ATOM 820 CG ASP A 54 4.250 10.649 -11.299 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.660 10.847 -10.251 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.850 11.025 -12.390 1.00 0.00 O ATOM 0 H ASP A 54 7.904 9.124 -10.919 1.00 0.00 H new ATOM 0 HA ASP A 54 6.532 11.589 -10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.050 9.909 -12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.387 8.841 -11.005 1.00 0.00 H new ATOM 827 N LEU A 55 6.372 9.100 -8.236 1.00 0.00 N ATOM 828 CA LEU A 55 5.898 8.698 -6.912 1.00 0.00 C ATOM 829 C LEU A 55 6.375 9.652 -5.811 1.00 0.00 C ATOM 830 O LEU A 55 5.559 10.285 -5.145 1.00 0.00 O ATOM 831 CB LEU A 55 6.385 7.278 -6.577 1.00 0.00 C ATOM 832 CG LEU A 55 5.694 6.234 -7.476 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.038 6.494 -8.944 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.181 4.832 -7.075 1.00 0.00 C ATOM 0 H LEU A 55 7.034 8.453 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 55 4.809 8.728 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.465 7.219 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.179 7.056 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 55 4.614 6.305 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.545 5.751 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.698 7.490 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.117 6.426 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.698 4.085 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.262 4.772 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.929 4.644 -6.031 1.00 0.00 H new ATOM 846 N LYS A 56 7.692 9.728 -5.600 1.00 0.00 N ATOM 847 CA LYS A 56 8.248 10.583 -4.539 1.00 0.00 C ATOM 848 C LYS A 56 7.756 12.028 -4.616 1.00 0.00 C ATOM 849 O LYS A 56 7.567 12.678 -3.588 1.00 0.00 O ATOM 850 CB LYS A 56 9.778 10.583 -4.602 1.00 0.00 C ATOM 851 CG LYS A 56 10.333 11.371 -3.410 1.00 0.00 C ATOM 852 CD LYS A 56 11.827 11.072 -3.222 1.00 0.00 C ATOM 853 CE LYS A 56 12.569 11.213 -4.555 1.00 0.00 C ATOM 854 NZ LYS A 56 14.010 11.480 -4.288 1.00 0.00 N ATOM 0 H LYS A 56 8.389 9.216 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 56 7.901 10.160 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.154 9.560 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.115 11.030 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.187 12.439 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.786 11.108 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.252 11.756 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.957 10.063 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.459 10.303 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.139 12.026 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.533 11.492 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.111 12.401 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.394 10.733 -3.674 1.00 0.00 H new ATOM 868 N ILE A 57 7.552 12.529 -5.825 1.00 0.00 N ATOM 869 CA ILE A 57 7.086 13.904 -6.001 1.00 0.00 C ATOM 870 C ILE A 57 5.580 13.971 -5.784 1.00 0.00 C ATOM 871 O ILE A 57 5.025 15.035 -5.519 1.00 0.00 O ATOM 872 CB ILE A 57 7.461 14.410 -7.402 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.633 13.673 -8.462 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.949 14.130 -7.632 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.060 14.096 -9.877 1.00 0.00 C ATOM 0 H ILE A 57 7.699 12.014 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 57 7.569 14.547 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 57 7.259 15.478 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.759 12.597 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.574 13.887 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.237 14.482 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.538 14.650 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.133 13.058 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.460 13.561 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.910 15.169 -9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.113 13.858 -10.026 1.00 0.00 H new ATOM 887 N GLY A 58 4.928 12.817 -5.897 1.00 0.00 N ATOM 888 CA GLY A 58 3.484 12.741 -5.713 1.00 0.00 C ATOM 889 C GLY A 58 3.096 13.028 -4.266 1.00 0.00 C ATOM 890 O GLY A 58 2.085 13.682 -4.007 1.00 0.00 O ATOM 0 H GLY A 58 5.375 11.926 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.993 13.456 -6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.130 11.750 -5.997 1.00 0.00 H new ATOM 894 N LEU A 59 3.899 12.540 -3.320 1.00 0.00 N ATOM 895 CA LEU A 59 3.608 12.766 -1.908 1.00 0.00 C ATOM 896 C LEU A 59 3.983 14.187 -1.521 1.00 0.00 C ATOM 897 O LEU A 59 3.145 14.934 -1.015 1.00 0.00 O ATOM 898 CB LEU A 59 4.363 11.773 -1.011 1.00 0.00 C ATOM 899 CG LEU A 59 3.959 10.311 -1.313 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.430 10.153 -1.309 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.521 9.865 -2.672 1.00 0.00 C ATOM 0 H LEU A 59 4.742 11.995 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 59 2.539 12.613 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.436 11.892 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.158 11.999 0.035 1.00 0.00 H new ATOM 0 HG LEU A 59 4.379 9.680 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.171 9.116 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.038 10.430 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.995 10.801 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.226 8.834 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.127 10.510 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.609 9.935 -2.657 1.00 0.00 H new ATOM 913 N ALA A 60 5.227 14.579 -1.778 1.00 0.00 N ATOM 914 CA ALA A 60 5.643 15.936 -1.461 1.00 0.00 C ATOM 915 C ALA A 60 4.892 16.906 -2.357 1.00 0.00 C ATOM 916 O ALA A 60 4.536 18.009 -1.940 1.00 0.00 O ATOM 917 CB ALA A 60 7.152 16.101 -1.669 1.00 0.00 C ATOM 0 H ALA A 60 5.948 13.990 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 60 5.416 16.143 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.443 17.123 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.687 15.408 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.401 15.890 -2.709 1.00 0.00 H new ATOM 923 N GLY A 61 4.643 16.477 -3.598 1.00 0.00 N ATOM 924 CA GLY A 61 3.915 17.305 -4.562 1.00 0.00 C ATOM 925 C GLY A 61 4.779 17.619 -5.773 1.00 0.00 C ATOM 926 O GLY A 61 4.378 17.376 -6.912 1.00 0.00 O ATOM 0 H GLY A 61 4.933 15.567 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.010 16.788 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.600 18.233 -4.085 1.00 0.00 H new ATOM 930 N SER A 62 5.968 18.164 -5.527 1.00 0.00 N ATOM 931 CA SER A 62 6.884 18.509 -6.613 1.00 0.00 C ATOM 932 C SER A 62 8.321 18.170 -6.239 1.00 0.00 C ATOM 933 O SER A 62 8.682 18.150 -5.062 1.00 0.00 O ATOM 934 CB SER A 62 6.779 20.002 -6.924 1.00 0.00 C ATOM 935 OG SER A 62 7.576 20.301 -8.064 1.00 0.00 O ATOM 0 H SER A 62 6.319 18.375 -4.593 1.00 0.00 H new ATOM 0 HA SER A 62 6.606 17.928 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.740 20.274 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.113 20.588 -6.068 1.00 0.00 H new ATOM 0 HG SER A 62 7.640 21.273 -8.173 1.00 0.00 H new ATOM 941 N GLU A 63 9.134 17.898 -7.252 1.00 0.00 N ATOM 942 CA GLU A 63 10.533 17.553 -7.048 1.00 0.00 C ATOM 943 C GLU A 63 11.297 18.668 -6.326 1.00 0.00 C ATOM 944 O GLU A 63 12.524 18.732 -6.403 1.00 0.00 O ATOM 945 CB GLU A 63 11.202 17.266 -8.397 1.00 0.00 C ATOM 946 CG GLU A 63 11.045 18.475 -9.329 1.00 0.00 C ATOM 947 CD GLU A 63 12.033 19.571 -8.941 1.00 0.00 C ATOM 948 OE1 GLU A 63 13.225 19.313 -8.992 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.583 20.653 -8.600 1.00 0.00 O ATOM 0 H GLU A 63 8.844 17.910 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 63 10.563 16.663 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.259 17.046 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.754 16.384 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.215 18.171 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.026 18.857 -9.272 1.00 0.00 H new ATOM 956 N GLU A 64 10.574 19.543 -5.624 1.00 0.00 N ATOM 957 CA GLU A 64 11.201 20.643 -4.895 1.00 0.00 C ATOM 958 C GLU A 64 11.385 20.285 -3.422 1.00 0.00 C ATOM 959 O GLU A 64 12.502 20.306 -2.905 1.00 0.00 O ATOM 960 CB GLU A 64 10.333 21.900 -5.002 1.00 0.00 C ATOM 961 CG GLU A 64 10.048 22.214 -6.473 1.00 0.00 C ATOM 962 CD GLU A 64 8.994 23.311 -6.575 1.00 0.00 C ATOM 963 OE1 GLU A 64 8.768 23.984 -5.583 1.00 0.00 O ATOM 964 OE2 GLU A 64 8.427 23.463 -7.645 1.00 0.00 O ATOM 0 H GLU A 64 9.558 19.510 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 64 12.180 20.829 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.396 21.752 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.840 22.743 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.965 22.531 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.702 21.316 -6.985 1.00 0.00 H new ATOM 971 N ASP A 65 10.277 19.999 -2.738 1.00 0.00 N ATOM 972 CA ASP A 65 10.319 19.683 -1.310 1.00 0.00 C ATOM 973 C ASP A 65 10.682 18.221 -1.038 1.00 0.00 C ATOM 974 O ASP A 65 10.966 17.857 0.102 1.00 0.00 O ATOM 975 CB ASP A 65 8.948 19.992 -0.688 1.00 0.00 C ATOM 976 CG ASP A 65 9.089 20.271 0.807 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.009 19.741 1.404 1.00 0.00 O ATOM 978 OD2 ASP A 65 8.271 21.010 1.330 1.00 0.00 O ATOM 0 H ASP A 65 9.343 19.980 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 65 11.099 20.297 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.503 20.854 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.273 19.151 -0.845 1.00 0.00 H new ATOM 983 N VAL A 66 10.671 17.383 -2.068 1.00 0.00 N ATOM 984 CA VAL A 66 11.004 15.975 -1.867 1.00 0.00 C ATOM 985 C VAL A 66 12.335 15.850 -1.131 1.00 0.00 C ATOM 986 O VAL A 66 12.573 14.877 -0.415 1.00 0.00 O ATOM 987 CB VAL A 66 11.091 15.242 -3.205 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.697 15.070 -3.798 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.944 16.048 -4.176 1.00 0.00 C ATOM 0 H VAL A 66 10.442 17.643 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 66 10.214 15.522 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 66 11.540 14.263 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.769 14.547 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.079 14.491 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.245 16.049 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.004 15.523 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.493 17.028 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.946 16.170 -3.765 1.00 0.00 H new ATOM 999 N ASP A 67 13.198 16.844 -1.315 1.00 0.00 N ATOM 1000 CA ASP A 67 14.504 16.842 -0.668 1.00 0.00 C ATOM 1001 C ASP A 67 14.352 16.711 0.844 1.00 0.00 C ATOM 1002 O ASP A 67 15.265 16.256 1.533 1.00 0.00 O ATOM 1003 CB ASP A 67 15.251 18.136 -1.000 1.00 0.00 C ATOM 1004 CG ASP A 67 15.346 18.313 -2.512 1.00 0.00 C ATOM 1005 OD1 ASP A 67 15.948 17.464 -3.150 1.00 0.00 O ATOM 1006 OD2 ASP A 67 14.816 19.292 -3.009 1.00 0.00 O ATOM 0 H ASP A 67 13.017 17.657 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 67 15.073 15.989 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.733 18.987 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.250 18.110 -0.566 1.00 0.00 H new ATOM 1011 N MET A 68 13.190 17.114 1.355 1.00 0.00 N ATOM 1012 CA MET A 68 12.918 17.039 2.790 1.00 0.00 C ATOM 1013 C MET A 68 12.203 15.733 3.132 1.00 0.00 C ATOM 1014 O MET A 68 12.442 15.138 4.183 1.00 0.00 O ATOM 1015 CB MET A 68 12.049 18.229 3.218 1.00 0.00 C ATOM 1016 CG MET A 68 12.473 19.481 2.447 1.00 0.00 C ATOM 1017 SD MET A 68 14.265 19.703 2.586 1.00 0.00 S ATOM 1018 CE MET A 68 14.377 21.227 1.617 1.00 0.00 C ATOM 0 H MET A 68 12.424 17.495 0.799 1.00 0.00 H new ATOM 0 HA MET A 68 13.867 17.070 3.325 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.998 18.011 3.027 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.150 18.399 4.290 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.188 19.389 1.399 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.956 20.356 2.842 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.416 21.553 1.570 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.008 21.044 0.608 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.774 22.003 2.089 1.00 0.00 H new ATOM 1028 N LEU A 69 11.323 15.297 2.237 1.00 0.00 N ATOM 1029 CA LEU A 69 10.571 14.065 2.450 1.00 0.00 C ATOM 1030 C LEU A 69 11.512 12.930 2.863 1.00 0.00 C ATOM 1031 O LEU A 69 12.389 12.524 2.101 1.00 0.00 O ATOM 1032 CB LEU A 69 9.820 13.695 1.164 1.00 0.00 C ATOM 1033 CG LEU A 69 8.663 12.721 1.472 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.507 13.454 2.188 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.141 12.114 0.157 1.00 0.00 C ATOM 0 H LEU A 69 11.113 15.776 1.361 1.00 0.00 H new ATOM 0 HA LEU A 69 9.851 14.220 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.428 14.597 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.508 13.238 0.453 1.00 0.00 H new ATOM 0 HG LEU A 69 9.037 11.933 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.702 12.749 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.869 13.877 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.133 14.254 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.324 11.426 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.782 12.911 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.947 11.575 -0.340 1.00 0.00 H new ATOM 1047 N ASP A 70 11.320 12.437 4.084 1.00 0.00 N ATOM 1048 CA ASP A 70 12.152 11.361 4.624 1.00 0.00 C ATOM 1049 C ASP A 70 12.390 10.257 3.594 1.00 0.00 C ATOM 1050 O ASP A 70 13.293 9.436 3.758 1.00 0.00 O ATOM 1051 CB ASP A 70 11.478 10.763 5.861 1.00 0.00 C ATOM 1052 CG ASP A 70 12.480 9.928 6.652 1.00 0.00 C ATOM 1053 OD1 ASP A 70 13.338 10.517 7.288 1.00 0.00 O ATOM 1054 OD2 ASP A 70 12.375 8.714 6.607 1.00 0.00 O ATOM 0 H ASP A 70 10.594 12.765 4.721 1.00 0.00 H new ATOM 0 HA ASP A 70 13.119 11.789 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.081 11.560 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.633 10.143 5.561 1.00 0.00 H new ATOM 1059 N THR A 71 11.583 10.235 2.542 1.00 0.00 N ATOM 1060 CA THR A 71 11.729 9.216 1.506 1.00 0.00 C ATOM 1061 C THR A 71 13.193 9.164 1.016 1.00 0.00 C ATOM 1062 O THR A 71 13.688 10.152 0.472 1.00 0.00 O ATOM 1063 CB THR A 71 10.791 9.546 0.339 1.00 0.00 C ATOM 1064 OG1 THR A 71 9.562 10.030 0.858 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.524 8.291 -0.490 1.00 0.00 C ATOM 0 H THR A 71 10.828 10.902 2.382 1.00 0.00 H new ATOM 0 HA THR A 71 11.467 8.240 1.915 1.00 0.00 H new ATOM 0 HB THR A 71 11.256 10.301 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.817 9.559 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.857 8.536 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.465 7.909 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.059 7.532 0.139 1.00 0.00 H new ATOM 1073 N PRO A 72 13.906 8.065 1.209 1.00 0.00 N ATOM 1074 CA PRO A 72 15.340 7.955 0.785 1.00 0.00 C ATOM 1075 C PRO A 72 15.519 7.671 -0.710 1.00 0.00 C ATOM 1076 O PRO A 72 16.575 7.198 -1.128 1.00 0.00 O ATOM 1077 CB PRO A 72 15.857 6.788 1.631 1.00 0.00 C ATOM 1078 CG PRO A 72 14.674 5.889 1.792 1.00 0.00 C ATOM 1079 CD PRO A 72 13.446 6.809 1.846 1.00 0.00 C ATOM 0 HA PRO A 72 15.878 8.891 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.681 6.274 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.229 7.132 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.600 5.189 0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.757 5.295 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.601 6.377 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.120 6.979 2.872 1.00 0.00 H new ATOM 1087 N MET A 73 14.496 7.961 -1.508 1.00 0.00 N ATOM 1088 CA MET A 73 14.575 7.731 -2.953 1.00 0.00 C ATOM 1089 C MET A 73 14.671 6.238 -3.271 1.00 0.00 C ATOM 1090 O MET A 73 14.491 5.828 -4.418 1.00 0.00 O ATOM 1091 CB MET A 73 15.796 8.459 -3.536 1.00 0.00 C ATOM 1092 CG MET A 73 15.626 8.656 -5.048 1.00 0.00 C ATOM 1093 SD MET A 73 17.249 8.921 -5.805 1.00 0.00 S ATOM 1094 CE MET A 73 17.825 10.207 -4.668 1.00 0.00 C ATOM 0 H MET A 73 13.610 8.352 -1.187 1.00 0.00 H new ATOM 0 HA MET A 73 13.664 8.123 -3.405 1.00 0.00 H new ATOM 0 HB2 MET A 73 15.919 9.426 -3.048 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.700 7.884 -3.337 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.145 7.782 -5.488 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.977 9.510 -5.244 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.636 10.767 -5.133 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.002 10.884 -4.437 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.184 9.745 -3.748 1.00 0.00 H new ATOM 1104 N SER A 74 14.945 5.423 -2.255 1.00 0.00 N ATOM 1105 CA SER A 74 15.051 3.976 -2.447 1.00 0.00 C ATOM 1106 C SER A 74 13.735 3.307 -2.083 1.00 0.00 C ATOM 1107 O SER A 74 13.511 2.136 -2.391 1.00 0.00 O ATOM 1108 CB SER A 74 16.165 3.415 -1.564 1.00 0.00 C ATOM 1109 OG SER A 74 15.984 2.012 -1.417 1.00 0.00 O ATOM 0 H SER A 74 15.097 5.736 -1.296 1.00 0.00 H new ATOM 0 HA SER A 74 15.282 3.776 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.138 3.623 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.151 3.900 -0.588 1.00 0.00 H new ATOM 0 HG SER A 74 15.251 1.714 -1.995 1.00 0.00 H new ATOM 1115 N ALA A 75 12.873 4.064 -1.417 1.00 0.00 N ATOM 1116 CA ALA A 75 11.577 3.554 -0.999 1.00 0.00 C ATOM 1117 C ALA A 75 10.633 3.418 -2.194 1.00 0.00 C ATOM 1118 O ALA A 75 9.783 2.529 -2.223 1.00 0.00 O ATOM 1119 CB ALA A 75 10.982 4.487 0.046 1.00 0.00 C ATOM 0 H ALA A 75 13.049 5.034 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 75 11.710 2.563 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.010 4.107 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.648 4.540 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.861 5.482 -0.381 1.00 0.00 H new ATOM 1125 N LEU A 76 10.789 4.289 -3.184 1.00 0.00 N ATOM 1126 CA LEU A 76 9.943 4.209 -4.369 1.00 0.00 C ATOM 1127 C LEU A 76 10.286 2.940 -5.125 1.00 0.00 C ATOM 1128 O LEU A 76 9.438 2.075 -5.347 1.00 0.00 O ATOM 1129 CB LEU A 76 10.162 5.400 -5.321 1.00 0.00 C ATOM 1130 CG LEU A 76 9.960 6.777 -4.633 1.00 0.00 C ATOM 1131 CD1 LEU A 76 8.909 6.701 -3.515 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.301 7.301 -4.069 1.00 0.00 C ATOM 0 H LEU A 76 11.477 5.042 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 76 8.905 4.219 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.171 5.350 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.473 5.316 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 76 9.595 7.473 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.794 7.683 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.955 6.382 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.232 5.984 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.142 8.267 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.689 6.593 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.019 7.413 -4.882 1.00 0.00 H new ATOM 1144 N LYS A 77 11.549 2.848 -5.522 1.00 0.00 N ATOM 1145 CA LYS A 77 12.038 1.698 -6.263 1.00 0.00 C ATOM 1146 C LYS A 77 11.698 0.409 -5.522 1.00 0.00 C ATOM 1147 O LYS A 77 11.720 -0.677 -6.102 1.00 0.00 O ATOM 1148 CB LYS A 77 13.561 1.833 -6.480 1.00 0.00 C ATOM 1149 CG LYS A 77 13.954 3.330 -6.536 1.00 0.00 C ATOM 1150 CD LYS A 77 15.197 3.534 -7.419 1.00 0.00 C ATOM 1151 CE LYS A 77 15.937 4.811 -6.996 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.155 4.978 -7.838 1.00 0.00 N ATOM 0 H LYS A 77 12.255 3.562 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 77 11.552 1.659 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.098 1.337 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.851 1.337 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.123 3.915 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.153 3.697 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.860 2.674 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.902 3.604 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.284 5.677 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.214 4.752 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.658 5.843 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.780 4.156 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.878 5.052 -8.838 1.00 0.00 H new ATOM 1166 N ASP A 78 11.345 0.539 -4.245 1.00 0.00 N ATOM 1167 CA ASP A 78 10.958 -0.614 -3.444 1.00 0.00 C ATOM 1168 C ASP A 78 9.468 -0.870 -3.648 1.00 0.00 C ATOM 1169 O ASP A 78 9.050 -1.984 -3.965 1.00 0.00 O ATOM 1170 CB ASP A 78 11.258 -0.347 -1.954 1.00 0.00 C ATOM 1171 CG ASP A 78 12.708 -0.701 -1.630 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.103 -1.819 -1.920 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.400 0.150 -1.098 1.00 0.00 O ATOM 0 H ASP A 78 11.320 1.429 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 78 11.526 -1.491 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.073 0.702 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.585 -0.936 -1.330 1.00 0.00 H new ATOM 1178 N ALA A 79 8.677 0.182 -3.460 1.00 0.00 N ATOM 1179 CA ALA A 79 7.231 0.098 -3.617 1.00 0.00 C ATOM 1180 C ALA A 79 6.838 -0.100 -5.083 1.00 0.00 C ATOM 1181 O ALA A 79 6.130 -1.051 -5.414 1.00 0.00 O ATOM 1182 CB ALA A 79 6.590 1.380 -3.087 1.00 0.00 C ATOM 0 H ALA A 79 9.017 1.107 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 79 6.876 -0.764 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.508 1.321 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.836 1.500 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.969 2.235 -3.648 1.00 0.00 H new ATOM 1188 N VAL A 80 7.281 0.819 -5.951 1.00 0.00 N ATOM 1189 CA VAL A 80 6.957 0.756 -7.383 1.00 0.00 C ATOM 1190 C VAL A 80 6.909 -0.692 -7.872 1.00 0.00 C ATOM 1191 O VAL A 80 6.207 -1.021 -8.827 1.00 0.00 O ATOM 1192 CB VAL A 80 7.980 1.572 -8.187 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.213 0.725 -8.522 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.346 2.063 -9.493 1.00 0.00 C ATOM 0 H VAL A 80 7.864 1.614 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 80 5.968 1.187 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 80 8.287 2.422 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.923 1.325 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.683 0.386 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.911 -0.139 -9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.078 2.641 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.024 1.207 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.485 2.691 -9.266 1.00 0.00 H new ATOM 1204 N ARG A 81 7.660 -1.542 -7.189 1.00 0.00 N ATOM 1205 CA ARG A 81 7.711 -2.958 -7.529 1.00 0.00 C ATOM 1206 C ARG A 81 6.450 -3.656 -7.036 1.00 0.00 C ATOM 1207 O ARG A 81 5.751 -4.330 -7.792 1.00 0.00 O ATOM 1208 CB ARG A 81 8.926 -3.609 -6.865 1.00 0.00 C ATOM 1209 CG ARG A 81 9.151 -5.010 -7.450 1.00 0.00 C ATOM 1210 CD ARG A 81 10.010 -5.837 -6.490 1.00 0.00 C ATOM 1211 NE ARG A 81 11.301 -5.192 -6.286 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.256 -5.254 -7.207 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.049 -5.902 -8.320 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.401 -4.666 -6.998 1.00 0.00 N ATOM 0 H ARG A 81 8.243 -1.277 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 81 7.786 -3.054 -8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.811 -2.993 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.771 -3.675 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.194 -5.504 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.642 -4.935 -8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.496 -5.949 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.156 -6.839 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 81 11.474 -4.683 -5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.153 -6.362 -8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.783 -5.949 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.563 -4.159 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.135 -4.713 -7.705 1.00 0.00 H new ATOM 1228 N ILE A 82 6.202 -3.510 -5.746 1.00 0.00 N ATOM 1229 CA ILE A 82 5.058 -4.141 -5.111 1.00 0.00 C ATOM 1230 C ILE A 82 3.745 -3.882 -5.873 1.00 0.00 C ATOM 1231 O ILE A 82 2.950 -4.807 -6.039 1.00 0.00 O ATOM 1232 CB ILE A 82 4.960 -3.669 -3.650 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.042 -4.368 -2.817 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.583 -4.011 -3.077 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.151 -3.697 -1.447 1.00 0.00 C ATOM 0 H ILE A 82 6.781 -2.957 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 82 5.211 -5.220 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 82 5.103 -2.589 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.797 -5.423 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.000 -4.320 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.525 -3.672 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.811 -3.515 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.431 -5.090 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.920 -4.196 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.416 -2.648 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.194 -3.769 -0.930 1.00 0.00 H new ATOM 1247 N LEU A 83 3.501 -2.649 -6.344 1.00 0.00 N ATOM 1248 CA LEU A 83 2.250 -2.393 -7.078 1.00 0.00 C ATOM 1249 C LEU A 83 2.381 -2.898 -8.513 1.00 0.00 C ATOM 1250 O LEU A 83 1.406 -3.351 -9.109 1.00 0.00 O ATOM 1251 CB LEU A 83 1.811 -0.890 -7.101 1.00 0.00 C ATOM 1252 CG LEU A 83 2.539 -0.026 -6.052 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.669 -0.742 -4.698 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.897 0.379 -6.590 1.00 0.00 C ATOM 0 H LEU A 83 4.121 -1.846 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 83 1.473 -2.933 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.998 -0.479 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.736 -0.830 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 83 1.941 0.867 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.188 -0.094 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.676 -0.976 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.235 -1.665 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.414 0.990 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.486 -0.514 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.768 0.952 -7.508 1.00 0.00 H new ATOM 1266 N TRP A 84 3.590 -2.820 -9.062 1.00 0.00 N ATOM 1267 CA TRP A 84 3.818 -3.280 -10.434 1.00 0.00 C ATOM 1268 C TRP A 84 3.174 -4.655 -10.634 1.00 0.00 C ATOM 1269 O TRP A 84 2.763 -5.006 -11.740 1.00 0.00 O ATOM 1270 CB TRP A 84 5.342 -3.360 -10.705 1.00 0.00 C ATOM 1271 CG TRP A 84 5.772 -2.366 -11.742 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.520 -2.659 -12.828 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.507 -0.936 -11.799 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.737 -1.500 -13.549 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.131 -0.410 -12.956 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.795 -0.052 -10.970 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.052 0.945 -13.276 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.713 1.311 -11.290 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.342 1.807 -12.440 1.00 0.00 C ATOM 0 H TRP A 84 4.415 -2.450 -8.590 1.00 0.00 H new ATOM 0 HA TRP A 84 3.367 -2.576 -11.133 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.887 -3.179 -9.778 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.601 -4.366 -11.035 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.889 -3.640 -13.090 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.278 -1.455 -14.413 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.308 -0.425 -10.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.537 1.324 -14.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.162 1.982 -10.647 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.277 2.858 -12.679 1.00 0.00 H new ATOM 1290 N GLY A 85 3.103 -5.427 -9.552 1.00 0.00 N ATOM 1291 CA GLY A 85 2.525 -6.769 -9.603 1.00 0.00 C ATOM 1292 C GLY A 85 3.623 -7.816 -9.741 1.00 0.00 C ATOM 1293 O GLY A 85 3.358 -8.972 -10.071 1.00 0.00 O ATOM 0 H GLY A 85 3.438 -5.147 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.946 -6.957 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.835 -6.843 -10.444 1.00 0.00 H new ATOM 1297 N GLU A 86 4.864 -7.400 -9.483 1.00 0.00 N ATOM 1298 CA GLU A 86 6.018 -8.299 -9.574 1.00 0.00 C ATOM 1299 C GLU A 86 6.584 -8.574 -8.184 1.00 0.00 C ATOM 1300 O GLU A 86 7.571 -9.298 -8.043 1.00 0.00 O ATOM 1301 CB GLU A 86 7.103 -7.663 -10.460 1.00 0.00 C ATOM 1302 CG GLU A 86 6.752 -7.854 -11.942 1.00 0.00 C ATOM 1303 CD GLU A 86 5.309 -7.433 -12.206 1.00 0.00 C ATOM 1304 OE1 GLU A 86 5.073 -6.242 -12.327 1.00 0.00 O ATOM 1305 OE2 GLU A 86 4.463 -8.307 -12.287 1.00 0.00 O ATOM 0 H GLU A 86 5.097 -6.445 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 86 5.696 -9.242 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.192 -6.601 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.071 -8.117 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.428 -7.265 -12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.890 -8.898 -12.223 1.00 0.00 H new ATOM 1312 N ALA A 87 5.954 -7.988 -7.162 1.00 0.00 N ATOM 1313 CA ALA A 87 6.391 -8.164 -5.775 1.00 0.00 C ATOM 1314 C ALA A 87 6.982 -9.562 -5.545 1.00 0.00 C ATOM 1315 O ALA A 87 7.904 -9.732 -4.747 1.00 0.00 O ATOM 1316 CB ALA A 87 5.192 -7.935 -4.834 1.00 0.00 C ATOM 0 H ALA A 87 5.138 -7.386 -7.270 1.00 0.00 H new ATOM 0 HA ALA A 87 7.175 -7.436 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.511 -8.065 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.809 -6.924 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.406 -8.655 -5.064 1.00 0.00 H new ATOM 1322 N GLU A 88 6.444 -10.551 -6.252 1.00 0.00 N ATOM 1323 CA GLU A 88 6.924 -11.922 -6.118 1.00 0.00 C ATOM 1324 C GLU A 88 8.447 -11.971 -6.183 1.00 0.00 C ATOM 1325 O GLU A 88 9.090 -12.647 -5.381 1.00 0.00 O ATOM 1326 CB GLU A 88 6.336 -12.792 -7.230 1.00 0.00 C ATOM 1327 CG GLU A 88 4.814 -12.832 -7.095 1.00 0.00 C ATOM 1328 CD GLU A 88 4.421 -13.674 -5.886 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.814 -14.828 -5.838 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.733 -13.151 -5.024 1.00 0.00 O ATOM 0 H GLU A 88 5.681 -10.430 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 88 6.603 -12.303 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.615 -12.392 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.744 -13.801 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.423 -11.820 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.371 -13.250 -7.999 1.00 0.00 H new