USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 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 Set 1.1: A 25 THR OG1 : rot 101:sc= 0.224 USER MOD Set 1.2: A 71 THR OG1 : rot 168:sc= 0.22 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 29 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.17) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00556 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 124:sc= -0.12 (180deg=-0.948) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.128 -6.643 -1.035 1.00 0.00 N ATOM 184 CA LEU A 13 -3.163 -6.503 0.062 1.00 0.00 C ATOM 185 C LEU A 13 -1.806 -6.000 -0.449 1.00 0.00 C ATOM 186 O LEU A 13 -1.252 -5.038 0.081 1.00 0.00 O ATOM 187 CB LEU A 13 -2.988 -7.853 0.823 1.00 0.00 C ATOM 188 CG LEU A 13 -3.992 -8.892 0.304 1.00 0.00 C ATOM 189 CD1 LEU A 13 -3.697 -10.254 0.939 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.444 -8.460 0.631 1.00 0.00 C ATOM 0 HA LEU A 13 -3.560 -5.762 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.971 -8.223 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.135 -7.697 1.892 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.891 -8.966 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.411 -10.990 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.686 -10.566 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.784 -10.177 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.140 -9.210 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.561 -8.365 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.653 -7.501 0.158 1.00 0.00 H new ATOM 202 N ARG A 14 -1.275 -6.667 -1.466 1.00 0.00 N ATOM 203 CA ARG A 14 0.023 -6.292 -2.024 1.00 0.00 C ATOM 204 C ARG A 14 0.152 -4.777 -2.183 1.00 0.00 C ATOM 205 O ARG A 14 1.198 -4.202 -1.883 1.00 0.00 O ATOM 206 CB ARG A 14 0.212 -6.959 -3.391 1.00 0.00 C ATOM 207 CG ARG A 14 0.504 -8.452 -3.206 1.00 0.00 C ATOM 208 CD ARG A 14 0.527 -9.155 -4.569 1.00 0.00 C ATOM 209 NE ARG A 14 1.799 -8.915 -5.244 1.00 0.00 N ATOM 210 CZ ARG A 14 1.968 -9.231 -6.525 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.984 -9.753 -7.202 1.00 0.00 N ATOM 212 NH2 ARG A 14 3.118 -9.017 -7.106 1.00 0.00 N ATOM 0 H ARG A 14 -1.718 -7.466 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 14 0.792 -6.630 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.684 -6.827 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.032 -6.483 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.462 -8.584 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.256 -8.903 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.375 -10.226 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.294 -8.791 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 14 2.571 -8.498 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.085 -9.919 -6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.113 -9.996 -8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.888 -8.607 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.246 -9.260 -8.088 1.00 0.00 H new ATOM 226 N ILE A 15 -0.902 -4.140 -2.678 1.00 0.00 N ATOM 227 CA ILE A 15 -0.877 -2.695 -2.898 1.00 0.00 C ATOM 228 C ILE A 15 -0.714 -1.930 -1.589 1.00 0.00 C ATOM 229 O ILE A 15 -0.300 -0.771 -1.589 1.00 0.00 O ATOM 230 CB ILE A 15 -2.169 -2.253 -3.586 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.518 -3.236 -4.708 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.987 -0.851 -4.172 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.304 -3.446 -5.621 1.00 0.00 C ATOM 0 H ILE A 15 -1.779 -4.594 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.020 -2.471 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.978 -2.237 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.832 -4.189 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.358 -2.854 -5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.909 -0.539 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.746 -0.151 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.176 -0.863 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.563 -4.146 -6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.009 -2.493 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.476 -3.848 -5.038 1.00 0.00 H new ATOM 245 N ALA A 16 -1.059 -2.571 -0.476 1.00 0.00 N ATOM 246 CA ALA A 16 -0.965 -1.928 0.832 1.00 0.00 C ATOM 247 C ALA A 16 0.319 -2.301 1.552 1.00 0.00 C ATOM 248 O ALA A 16 0.734 -1.617 2.485 1.00 0.00 O ATOM 249 CB ALA A 16 -2.180 -2.299 1.679 1.00 0.00 C ATOM 0 H ALA A 16 -1.405 -3.530 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.948 -0.849 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.105 -1.817 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.089 -1.965 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.215 -3.380 1.811 1.00 0.00 H new ATOM 255 N LEU A 17 0.965 -3.365 1.109 1.00 0.00 N ATOM 256 CA LEU A 17 2.222 -3.766 1.725 1.00 0.00 C ATOM 257 C LEU A 17 3.284 -2.730 1.364 1.00 0.00 C ATOM 258 O LEU A 17 4.196 -2.453 2.141 1.00 0.00 O ATOM 259 CB LEU A 17 2.635 -5.173 1.234 1.00 0.00 C ATOM 260 CG LEU A 17 2.260 -6.253 2.272 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.104 -6.088 3.557 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.758 -6.159 2.609 1.00 0.00 C ATOM 0 H LEU A 17 0.650 -3.958 0.341 1.00 0.00 H new ATOM 0 HA LEU A 17 2.112 -3.815 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.144 -5.390 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.709 -5.197 1.050 1.00 0.00 H new ATOM 0 HG LEU A 17 2.470 -7.234 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.826 -6.858 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.162 -6.185 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.921 -5.104 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.501 -6.924 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.538 -5.174 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.172 -6.313 1.703 1.00 0.00 H new ATOM 274 N ALA A 18 3.140 -2.159 0.174 1.00 0.00 N ATOM 275 CA ALA A 18 4.069 -1.146 -0.305 1.00 0.00 C ATOM 276 C ALA A 18 4.188 -0.016 0.709 1.00 0.00 C ATOM 277 O ALA A 18 5.288 0.428 1.029 1.00 0.00 O ATOM 278 CB ALA A 18 3.569 -0.603 -1.643 1.00 0.00 C ATOM 0 H ALA A 18 2.387 -2.382 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 18 5.055 -1.592 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.260 0.157 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.509 -1.416 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.581 -0.161 -1.510 1.00 0.00 H new ATOM 284 N ALA A 19 3.045 0.444 1.210 1.00 0.00 N ATOM 285 CA ALA A 19 3.033 1.526 2.196 1.00 0.00 C ATOM 286 C ALA A 19 4.180 1.349 3.194 1.00 0.00 C ATOM 287 O ALA A 19 4.794 2.322 3.631 1.00 0.00 O ATOM 288 CB ALA A 19 1.693 1.557 2.932 1.00 0.00 C ATOM 0 H ALA A 19 2.123 0.091 0.954 1.00 0.00 H new ATOM 0 HA ALA A 19 3.168 2.473 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.698 2.366 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.888 1.720 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.537 0.607 3.444 1.00 0.00 H new ATOM 294 N ARG A 20 4.470 0.094 3.534 1.00 0.00 N ATOM 295 CA ARG A 20 5.554 -0.202 4.464 1.00 0.00 C ATOM 296 C ARG A 20 6.888 0.224 3.857 1.00 0.00 C ATOM 297 O ARG A 20 7.735 0.807 4.534 1.00 0.00 O ATOM 298 CB ARG A 20 5.584 -1.701 4.773 1.00 0.00 C ATOM 299 CG ARG A 20 6.644 -1.986 5.840 1.00 0.00 C ATOM 300 CD ARG A 20 6.467 -3.410 6.369 1.00 0.00 C ATOM 301 NE ARG A 20 7.404 -3.667 7.458 1.00 0.00 N ATOM 302 CZ ARG A 20 8.662 -4.026 7.216 1.00 0.00 C ATOM 303 NH1 ARG A 20 9.081 -4.163 5.987 1.00 0.00 N ATOM 304 NH2 ARG A 20 9.480 -4.243 8.210 1.00 0.00 N ATOM 0 H ARG A 20 3.974 -0.725 3.183 1.00 0.00 H new ATOM 0 HA ARG A 20 5.387 0.350 5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.605 -2.030 5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.805 -2.265 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.642 -1.865 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.555 -1.270 6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.444 -3.550 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.629 -4.127 5.564 1.00 0.00 H new ATOM 0 HE ARG A 20 7.088 -3.570 8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.443 -3.995 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.046 -4.438 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.154 -4.137 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.445 -4.518 8.026 1.00 0.00 H new ATOM 318 N ALA A 21 7.059 -0.066 2.568 1.00 0.00 N ATOM 319 CA ALA A 21 8.282 0.295 1.861 1.00 0.00 C ATOM 320 C ALA A 21 8.505 1.791 1.925 1.00 0.00 C ATOM 321 O ALA A 21 9.521 2.300 1.451 1.00 0.00 O ATOM 322 CB ALA A 21 8.170 -0.100 0.391 1.00 0.00 C ATOM 0 H ALA A 21 6.367 -0.549 1.995 1.00 0.00 H new ATOM 0 HA ALA A 21 9.113 -0.228 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.088 0.173 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.016 -1.176 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.327 0.421 -0.062 1.00 0.00 H new ATOM 328 N LEU A 22 7.541 2.498 2.500 1.00 0.00 N ATOM 329 CA LEU A 22 7.613 3.948 2.615 1.00 0.00 C ATOM 330 C LEU A 22 7.501 4.354 4.096 1.00 0.00 C ATOM 331 O LEU A 22 6.440 4.177 4.695 1.00 0.00 O ATOM 332 CB LEU A 22 6.446 4.577 1.835 1.00 0.00 C ATOM 333 CG LEU A 22 6.164 3.807 0.529 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.879 4.359 -0.105 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.350 3.954 -0.449 1.00 0.00 C ATOM 0 H LEU A 22 6.695 2.087 2.896 1.00 0.00 H new ATOM 0 HA LEU A 22 8.563 4.296 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.551 4.582 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.679 5.616 1.604 1.00 0.00 H new ATOM 0 HG LEU A 22 6.037 2.747 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.670 3.822 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.047 4.229 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.007 5.419 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.136 3.405 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.500 5.008 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.253 3.553 0.011 1.00 0.00 H new ATOM 347 N PRO A 23 8.541 4.877 4.707 1.00 0.00 N ATOM 348 CA PRO A 23 8.486 5.281 6.140 1.00 0.00 C ATOM 349 C PRO A 23 7.833 6.650 6.330 1.00 0.00 C ATOM 350 O PRO A 23 8.491 7.610 6.731 1.00 0.00 O ATOM 351 CB PRO A 23 9.961 5.303 6.549 1.00 0.00 C ATOM 352 CG PRO A 23 10.692 5.699 5.303 1.00 0.00 C ATOM 353 CD PRO A 23 9.872 5.148 4.125 1.00 0.00 C ATOM 0 HA PRO A 23 7.880 4.605 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.138 6.014 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.288 4.327 6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.787 6.783 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.702 5.289 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.811 5.869 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.320 4.242 3.716 1.00 0.00 H new ATOM 361 N GLY A 24 6.533 6.734 6.045 1.00 0.00 N ATOM 362 CA GLY A 24 5.808 7.994 6.197 1.00 0.00 C ATOM 363 C GLY A 24 4.590 8.058 5.276 1.00 0.00 C ATOM 364 O GLY A 24 3.514 8.488 5.689 1.00 0.00 O ATOM 0 H GLY A 24 5.967 5.954 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.488 8.107 7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.475 8.827 5.977 1.00 0.00 H new ATOM 368 N THR A 25 4.770 7.642 4.026 1.00 0.00 N ATOM 369 CA THR A 25 3.680 7.674 3.053 1.00 0.00 C ATOM 370 C THR A 25 2.677 6.553 3.306 1.00 0.00 C ATOM 371 O THR A 25 3.055 5.399 3.506 1.00 0.00 O ATOM 372 CB THR A 25 4.239 7.531 1.639 1.00 0.00 C ATOM 373 OG1 THR A 25 5.305 8.451 1.456 1.00 0.00 O ATOM 374 CG2 THR A 25 3.136 7.807 0.620 1.00 0.00 C ATOM 0 H THR A 25 5.653 7.281 3.664 1.00 0.00 H new ATOM 0 HA THR A 25 3.169 8.631 3.159 1.00 0.00 H new ATOM 0 HB THR A 25 4.611 6.516 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.161 7.983 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.538 7.704 -0.388 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.324 7.094 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.758 8.820 0.758 1.00 0.00 H new ATOM 382 N THR A 26 1.394 6.905 3.286 1.00 0.00 N ATOM 383 CA THR A 26 0.333 5.936 3.504 1.00 0.00 C ATOM 384 C THR A 26 0.008 5.209 2.196 1.00 0.00 C ATOM 385 O THR A 26 0.536 5.546 1.136 1.00 0.00 O ATOM 386 CB THR A 26 -0.916 6.670 4.048 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.567 8.014 4.347 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.419 5.994 5.324 1.00 0.00 C ATOM 0 H THR A 26 1.067 7.857 3.120 1.00 0.00 H new ATOM 0 HA THR A 26 0.656 5.192 4.232 1.00 0.00 H new ATOM 0 HB THR A 26 -1.703 6.638 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.353 8.487 4.691 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.298 6.523 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.683 4.959 5.108 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.636 6.018 6.082 1.00 0.00 H new ATOM 396 N VAL A 27 -0.849 4.202 2.293 1.00 0.00 N ATOM 397 CA VAL A 27 -1.232 3.412 1.126 1.00 0.00 C ATOM 398 C VAL A 27 -1.947 4.260 0.083 1.00 0.00 C ATOM 399 O VAL A 27 -1.480 4.398 -1.048 1.00 0.00 O ATOM 400 CB VAL A 27 -2.169 2.271 1.540 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.404 1.354 0.339 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.561 1.458 2.691 1.00 0.00 C ATOM 0 H VAL A 27 -1.292 3.912 3.164 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.313 3.015 0.695 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.114 2.697 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.070 0.540 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.858 1.925 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.452 0.942 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.243 0.654 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.609 1.033 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.399 2.109 3.550 1.00 0.00 H new ATOM 412 N GLY A 28 -3.095 4.800 0.466 1.00 0.00 N ATOM 413 CA GLY A 28 -3.893 5.607 -0.445 1.00 0.00 C ATOM 414 C GLY A 28 -3.255 6.965 -0.717 1.00 0.00 C ATOM 415 O GLY A 28 -3.898 7.844 -1.289 1.00 0.00 O ATOM 0 H GLY A 28 -3.494 4.694 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.020 5.072 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.888 5.752 -0.024 1.00 0.00 H new ATOM 419 N GLN A 29 -1.997 7.148 -0.308 1.00 0.00 N ATOM 420 CA GLN A 29 -1.318 8.428 -0.529 1.00 0.00 C ATOM 421 C GLN A 29 -0.389 8.350 -1.739 1.00 0.00 C ATOM 422 O GLN A 29 -0.075 9.372 -2.345 1.00 0.00 O ATOM 423 CB GLN A 29 -0.512 8.818 0.726 1.00 0.00 C ATOM 424 CG GLN A 29 -1.417 9.555 1.721 1.00 0.00 C ATOM 425 CD GLN A 29 -1.699 10.969 1.222 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.888 11.873 1.428 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.806 11.219 0.579 1.00 0.00 N ATOM 0 H GLN A 29 -1.437 6.442 0.169 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.074 9.188 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.095 7.926 1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.328 9.453 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.353 9.011 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.939 9.595 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.477 10.470 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.000 12.163 0.246 1.00 0.00 H new ATOM 436 N LEU A 30 0.065 7.143 -2.086 1.00 0.00 N ATOM 437 CA LEU A 30 0.977 6.987 -3.225 1.00 0.00 C ATOM 438 C LEU A 30 0.227 6.690 -4.521 1.00 0.00 C ATOM 439 O LEU A 30 0.740 6.947 -5.609 1.00 0.00 O ATOM 440 CB LEU A 30 1.983 5.860 -2.942 1.00 0.00 C ATOM 441 CG LEU A 30 3.039 5.777 -4.085 1.00 0.00 C ATOM 442 CD1 LEU A 30 4.436 5.522 -3.506 1.00 0.00 C ATOM 443 CD2 LEU A 30 2.695 4.628 -5.046 1.00 0.00 C ATOM 0 H LEU A 30 -0.177 6.275 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 30 1.504 7.932 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.482 6.039 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.458 4.909 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 30 3.029 6.726 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.162 5.467 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.705 6.336 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.435 4.581 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.441 4.582 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.688 3.685 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.711 4.801 -5.482 1.00 0.00 H new ATOM 455 N LEU A 31 -0.981 6.149 -4.411 1.00 0.00 N ATOM 456 CA LEU A 31 -1.763 5.829 -5.601 1.00 0.00 C ATOM 457 C LEU A 31 -2.366 7.090 -6.210 1.00 0.00 C ATOM 458 O LEU A 31 -2.461 7.214 -7.431 1.00 0.00 O ATOM 459 CB LEU A 31 -2.887 4.853 -5.248 1.00 0.00 C ATOM 460 CG LEU A 31 -2.331 3.713 -4.392 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.471 2.769 -4.010 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.268 2.939 -5.182 1.00 0.00 C ATOM 0 H LEU A 31 -1.435 5.925 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.094 5.369 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.678 5.374 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.333 4.453 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.876 4.125 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.080 1.955 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.224 3.318 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.923 2.360 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.876 2.129 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.716 2.525 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.456 3.613 -5.455 1.00 0.00 H new ATOM 715 N LEU A 47 -1.797 0.583 -12.802 1.00 0.00 N ATOM 716 CA LEU A 47 -0.857 1.541 -12.219 1.00 0.00 C ATOM 717 C LEU A 47 0.418 1.638 -13.061 1.00 0.00 C ATOM 718 O LEU A 47 1.144 2.628 -12.983 1.00 0.00 O ATOM 719 CB LEU A 47 -0.508 1.123 -10.775 1.00 0.00 C ATOM 720 CG LEU A 47 -1.538 1.691 -9.774 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.376 3.219 -9.628 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.962 1.361 -10.250 1.00 0.00 C ATOM 0 HA LEU A 47 -1.331 2.522 -12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.485 0.036 -10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.489 1.481 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.364 1.232 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.112 3.597 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.373 3.446 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.528 3.695 -10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.685 1.764 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.130 1.805 -11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.082 0.280 -10.316 1.00 0.00 H new ATOM 734 N GLN A 48 0.685 0.613 -13.862 1.00 0.00 N ATOM 735 CA GLN A 48 1.879 0.618 -14.704 1.00 0.00 C ATOM 736 C GLN A 48 1.732 1.639 -15.827 1.00 0.00 C ATOM 737 O GLN A 48 1.576 1.275 -16.993 1.00 0.00 O ATOM 738 CB GLN A 48 2.114 -0.768 -15.309 1.00 0.00 C ATOM 739 CG GLN A 48 2.181 -1.812 -14.194 1.00 0.00 C ATOM 740 CD GLN A 48 2.279 -3.209 -14.798 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.329 -3.849 -14.721 1.00 0.00 O ATOM 742 NE2 GLN A 48 1.241 -3.724 -15.400 1.00 0.00 N ATOM 0 H GLN A 48 0.103 -0.220 -13.947 1.00 0.00 H new ATOM 0 HA GLN A 48 2.732 0.887 -14.081 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.310 -1.014 -16.003 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.042 -0.773 -15.881 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.044 -1.621 -13.556 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.295 -1.740 -13.563 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.372 -3.193 -15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.299 -4.657 -15.807 1.00 0.00 H new ATOM 751 N GLY A 49 1.779 2.921 -15.469 1.00 0.00 N ATOM 752 CA GLY A 49 1.645 3.990 -16.459 1.00 0.00 C ATOM 753 C GLY A 49 2.412 5.241 -16.039 1.00 0.00 C ATOM 754 O GLY A 49 2.301 6.285 -16.680 1.00 0.00 O ATOM 0 H GLY A 49 1.908 3.244 -14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.014 3.642 -17.424 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.591 4.235 -16.591 1.00 0.00 H new ATOM 758 N VAL A 50 3.190 5.134 -14.959 1.00 0.00 N ATOM 759 CA VAL A 50 3.974 6.273 -14.463 1.00 0.00 C ATOM 760 C VAL A 50 5.427 5.845 -14.220 1.00 0.00 C ATOM 761 O VAL A 50 5.765 4.670 -14.359 1.00 0.00 O ATOM 762 CB VAL A 50 3.316 6.826 -13.167 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.941 6.204 -11.908 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.473 8.352 -13.098 1.00 0.00 C ATOM 0 H VAL A 50 3.295 4.279 -14.413 1.00 0.00 H new ATOM 0 HA VAL A 50 3.985 7.069 -15.208 1.00 0.00 H new ATOM 0 HB VAL A 50 2.259 6.561 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.457 6.613 -11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.804 5.123 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.006 6.434 -11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.008 8.725 -12.186 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.532 8.609 -13.096 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.991 8.807 -13.963 1.00 0.00 H new ATOM 774 N SER A 51 6.276 6.805 -13.851 1.00 0.00 N ATOM 775 CA SER A 51 7.690 6.531 -13.579 1.00 0.00 C ATOM 776 C SER A 51 7.962 6.754 -12.100 1.00 0.00 C ATOM 777 O SER A 51 7.159 7.386 -11.426 1.00 0.00 O ATOM 778 CB SER A 51 8.572 7.460 -14.413 1.00 0.00 C ATOM 779 OG SER A 51 8.125 7.449 -15.762 1.00 0.00 O ATOM 0 H SER A 51 6.009 7.782 -13.733 1.00 0.00 H new ATOM 0 HA SER A 51 7.919 5.499 -13.844 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.532 8.473 -14.013 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.612 7.137 -14.360 1.00 0.00 H new ATOM 0 HG SER A 51 8.688 8.045 -16.298 1.00 0.00 H new ATOM 785 N VAL A 52 9.089 6.245 -11.605 1.00 0.00 N ATOM 786 CA VAL A 52 9.439 6.399 -10.190 1.00 0.00 C ATOM 787 C VAL A 52 9.470 7.881 -9.777 1.00 0.00 C ATOM 788 O VAL A 52 8.987 8.240 -8.702 1.00 0.00 O ATOM 789 CB VAL A 52 10.804 5.727 -9.916 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.478 6.336 -8.671 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.588 4.222 -9.692 1.00 0.00 C ATOM 0 H VAL A 52 9.772 5.726 -12.156 1.00 0.00 H new ATOM 0 HA VAL A 52 8.672 5.910 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 52 11.453 5.893 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.437 5.846 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.639 7.402 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.836 6.191 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.547 3.742 -9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.928 4.072 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.136 3.783 -10.581 1.00 0.00 H new ATOM 801 N THR A 53 10.063 8.723 -10.614 1.00 0.00 N ATOM 802 CA THR A 53 10.178 10.150 -10.305 1.00 0.00 C ATOM 803 C THR A 53 8.816 10.789 -10.010 1.00 0.00 C ATOM 804 O THR A 53 8.746 11.796 -9.324 1.00 0.00 O ATOM 805 CB THR A 53 10.851 10.878 -11.485 1.00 0.00 C ATOM 806 OG1 THR A 53 12.258 10.703 -11.399 1.00 0.00 O ATOM 807 CG2 THR A 53 10.522 12.378 -11.453 1.00 0.00 C ATOM 0 H THR A 53 10.471 8.449 -11.508 1.00 0.00 H new ATOM 0 HA THR A 53 10.786 10.248 -9.406 1.00 0.00 H new ATOM 0 HB THR A 53 10.477 10.458 -12.419 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.691 11.163 -12.148 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.006 12.875 -12.294 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.443 12.515 -11.523 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.883 12.810 -10.520 1.00 0.00 H new ATOM 815 N ASP A 54 7.752 10.226 -10.541 1.00 0.00 N ATOM 816 CA ASP A 54 6.423 10.790 -10.329 1.00 0.00 C ATOM 817 C ASP A 54 5.894 10.469 -8.934 1.00 0.00 C ATOM 818 O ASP A 54 5.098 11.222 -8.370 1.00 0.00 O ATOM 819 CB ASP A 54 5.459 10.243 -11.375 1.00 0.00 C ATOM 820 CG ASP A 54 4.135 10.995 -11.312 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.541 11.023 -10.247 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.734 11.534 -12.330 1.00 0.00 O ATOM 0 H ASP A 54 7.773 9.386 -11.119 1.00 0.00 H new ATOM 0 HA ASP A 54 6.501 11.873 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.895 10.341 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.291 9.180 -11.205 1.00 0.00 H new ATOM 827 N LEU A 55 6.295 9.327 -8.403 1.00 0.00 N ATOM 828 CA LEU A 55 5.818 8.891 -7.091 1.00 0.00 C ATOM 829 C LEU A 55 6.295 9.812 -5.968 1.00 0.00 C ATOM 830 O LEU A 55 5.484 10.453 -5.304 1.00 0.00 O ATOM 831 CB LEU A 55 6.293 7.462 -6.793 1.00 0.00 C ATOM 832 CG LEU A 55 5.606 6.454 -7.736 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.971 6.767 -9.188 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.080 5.036 -7.384 1.00 0.00 C ATOM 0 H LEU A 55 6.946 8.684 -8.853 1.00 0.00 H new ATOM 0 HA LEU A 55 4.729 8.926 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.375 7.400 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.071 7.208 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 55 4.525 6.525 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.482 6.051 -9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.640 7.775 -9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.051 6.698 -9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.599 4.317 -8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.161 4.973 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.817 4.810 -6.351 1.00 0.00 H new ATOM 846 N LYS A 56 7.609 9.854 -5.740 1.00 0.00 N ATOM 847 CA LYS A 56 8.172 10.675 -4.662 1.00 0.00 C ATOM 848 C LYS A 56 7.673 12.119 -4.696 1.00 0.00 C ATOM 849 O LYS A 56 7.496 12.741 -3.649 1.00 0.00 O ATOM 850 CB LYS A 56 9.700 10.672 -4.754 1.00 0.00 C ATOM 851 CG LYS A 56 10.293 11.632 -3.716 1.00 0.00 C ATOM 852 CD LYS A 56 11.741 11.237 -3.402 1.00 0.00 C ATOM 853 CE LYS A 56 12.529 11.121 -4.707 1.00 0.00 C ATOM 854 NZ LYS A 56 13.987 11.064 -4.404 1.00 0.00 N ATOM 0 H LYS A 56 8.300 9.334 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 56 7.841 10.234 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.080 9.664 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.012 10.969 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.260 12.654 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.696 11.609 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.200 11.982 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.763 10.289 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.224 10.226 -5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.314 11.973 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.523 10.985 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.272 11.930 -3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.185 10.237 -3.805 1.00 0.00 H new ATOM 868 N ILE A 57 7.459 12.650 -5.888 1.00 0.00 N ATOM 869 CA ILE A 57 6.993 14.027 -6.022 1.00 0.00 C ATOM 870 C ILE A 57 5.481 14.092 -5.859 1.00 0.00 C ATOM 871 O ILE A 57 4.930 15.139 -5.540 1.00 0.00 O ATOM 872 CB ILE A 57 7.429 14.595 -7.379 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.597 13.963 -8.503 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.907 14.256 -7.583 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.121 14.405 -9.875 1.00 0.00 C ATOM 0 H ILE A 57 7.598 12.158 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 57 7.440 14.635 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 57 7.279 15.674 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.636 12.876 -8.425 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.552 14.253 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.242 14.650 -8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.497 14.702 -6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.037 13.174 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.519 13.947 -10.659 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.058 15.490 -9.956 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.159 14.093 -9.986 1.00 0.00 H new ATOM 887 N GLY A 58 4.818 12.964 -6.077 1.00 0.00 N ATOM 888 CA GLY A 58 3.368 12.904 -5.951 1.00 0.00 C ATOM 889 C GLY A 58 2.915 13.218 -4.526 1.00 0.00 C ATOM 890 O GLY A 58 1.889 13.870 -4.325 1.00 0.00 O ATOM 0 H GLY A 58 5.258 12.083 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.912 13.612 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.018 11.911 -6.234 1.00 0.00 H new ATOM 894 N LEU A 59 3.672 12.747 -3.537 1.00 0.00 N ATOM 895 CA LEU A 59 3.313 12.984 -2.141 1.00 0.00 C ATOM 896 C LEU A 59 3.608 14.426 -1.746 1.00 0.00 C ATOM 897 O LEU A 59 2.696 15.174 -1.395 1.00 0.00 O ATOM 898 CB LEU A 59 4.080 12.037 -1.201 1.00 0.00 C ATOM 899 CG LEU A 59 3.799 10.555 -1.535 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.287 10.296 -1.597 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.449 10.170 -2.877 1.00 0.00 C ATOM 0 H LEU A 59 4.526 12.206 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 59 2.245 12.792 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.149 12.232 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.795 12.238 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 59 4.232 9.941 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.107 9.247 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.837 10.533 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.842 10.924 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.240 9.123 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.041 10.795 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.527 10.320 -2.815 1.00 0.00 H new ATOM 913 N ALA A 60 4.875 14.820 -1.802 1.00 0.00 N ATOM 914 CA ALA A 60 5.241 16.182 -1.442 1.00 0.00 C ATOM 915 C ALA A 60 4.669 17.168 -2.452 1.00 0.00 C ATOM 916 O ALA A 60 4.290 18.283 -2.094 1.00 0.00 O ATOM 917 CB ALA A 60 6.763 16.327 -1.384 1.00 0.00 C ATOM 0 H ALA A 60 5.653 14.226 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 60 4.826 16.400 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.021 17.351 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.166 15.642 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.188 16.091 -2.359 1.00 0.00 H new ATOM 923 N GLY A 61 4.601 16.753 -3.717 1.00 0.00 N ATOM 924 CA GLY A 61 4.057 17.627 -4.759 1.00 0.00 C ATOM 925 C GLY A 61 5.134 18.535 -5.345 1.00 0.00 C ATOM 926 O GLY A 61 4.892 19.231 -6.331 1.00 0.00 O ATOM 0 H GLY A 61 4.909 15.836 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.620 17.021 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.254 18.235 -4.343 1.00 0.00 H new ATOM 930 N SER A 62 6.322 18.544 -4.733 1.00 0.00 N ATOM 931 CA SER A 62 7.414 19.399 -5.216 1.00 0.00 C ATOM 932 C SER A 62 8.755 18.676 -5.201 1.00 0.00 C ATOM 933 O SER A 62 9.368 18.505 -4.149 1.00 0.00 O ATOM 934 CB SER A 62 7.500 20.660 -4.353 1.00 0.00 C ATOM 935 OG SER A 62 6.187 21.113 -4.052 1.00 0.00 O ATOM 0 H SER A 62 6.552 17.979 -3.915 1.00 0.00 H new ATOM 0 HA SER A 62 7.193 19.666 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.044 20.448 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.054 21.438 -4.879 1.00 0.00 H new ATOM 0 HG SER A 62 6.238 21.920 -3.498 1.00 0.00 H new ATOM 941 N GLU A 63 9.211 18.276 -6.386 1.00 0.00 N ATOM 942 CA GLU A 63 10.490 17.591 -6.519 1.00 0.00 C ATOM 943 C GLU A 63 11.599 18.418 -5.881 1.00 0.00 C ATOM 944 O GLU A 63 12.738 17.967 -5.766 1.00 0.00 O ATOM 945 CB GLU A 63 10.805 17.359 -8.002 1.00 0.00 C ATOM 946 CG GLU A 63 12.040 16.462 -8.142 1.00 0.00 C ATOM 947 CD GLU A 63 12.149 15.936 -9.571 1.00 0.00 C ATOM 948 OE1 GLU A 63 11.180 16.056 -10.302 1.00 0.00 O ATOM 949 OE2 GLU A 63 13.201 15.422 -9.913 1.00 0.00 O ATOM 0 H GLU A 63 8.713 18.415 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 63 10.428 16.630 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.951 16.895 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.980 18.313 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.938 17.024 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.974 15.628 -7.444 1.00 0.00 H new ATOM 956 N GLU A 64 11.255 19.626 -5.457 1.00 0.00 N ATOM 957 CA GLU A 64 12.225 20.507 -4.821 1.00 0.00 C ATOM 958 C GLU A 64 12.355 20.184 -3.336 1.00 0.00 C ATOM 959 O GLU A 64 13.461 20.136 -2.798 1.00 0.00 O ATOM 960 CB GLU A 64 11.784 21.962 -4.979 1.00 0.00 C ATOM 961 CG GLU A 64 11.869 22.365 -6.451 1.00 0.00 C ATOM 962 CD GLU A 64 10.833 21.597 -7.265 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.775 21.315 -6.727 1.00 0.00 O ATOM 964 OE2 GLU A 64 11.113 21.303 -8.415 1.00 0.00 O ATOM 0 H GLU A 64 10.317 20.017 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 64 13.191 20.357 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.764 22.085 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.418 22.612 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.701 23.437 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.869 22.161 -6.835 1.00 0.00 H new ATOM 971 N ASP A 65 11.216 20.002 -2.669 1.00 0.00 N ATOM 972 CA ASP A 65 11.205 19.729 -1.230 1.00 0.00 C ATOM 973 C ASP A 65 11.242 18.236 -0.901 1.00 0.00 C ATOM 974 O ASP A 65 11.459 17.870 0.254 1.00 0.00 O ATOM 975 CB ASP A 65 9.944 20.344 -0.612 1.00 0.00 C ATOM 976 CG ASP A 65 10.072 21.863 -0.567 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.790 22.401 -1.393 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.450 22.466 0.292 1.00 0.00 O ATOM 0 H ASP A 65 10.292 20.038 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 65 12.109 20.173 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.068 20.062 -1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.795 19.953 0.395 1.00 0.00 H new ATOM 983 N VAL A 66 11.016 17.372 -1.882 1.00 0.00 N ATOM 984 CA VAL A 66 11.021 15.941 -1.596 1.00 0.00 C ATOM 985 C VAL A 66 12.281 15.537 -0.835 1.00 0.00 C ATOM 986 O VAL A 66 12.263 14.581 -0.060 1.00 0.00 O ATOM 987 CB VAL A 66 10.915 15.107 -2.873 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.510 15.221 -3.454 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.918 15.592 -3.916 1.00 0.00 C ATOM 0 H VAL A 66 10.832 17.624 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 66 10.146 15.743 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 66 11.131 14.069 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.443 14.624 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.785 14.857 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.297 16.264 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.827 14.986 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.715 16.635 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.929 15.502 -3.518 1.00 0.00 H new ATOM 999 N ASP A 67 13.370 16.260 -1.061 1.00 0.00 N ATOM 1000 CA ASP A 67 14.624 15.947 -0.387 1.00 0.00 C ATOM 1001 C ASP A 67 14.408 15.840 1.120 1.00 0.00 C ATOM 1002 O ASP A 67 15.257 15.319 1.842 1.00 0.00 O ATOM 1003 CB ASP A 67 15.664 17.032 -0.680 1.00 0.00 C ATOM 1004 CG ASP A 67 17.058 16.533 -0.311 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.674 15.889 -1.144 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.487 16.801 0.798 1.00 0.00 O ATOM 0 H ASP A 67 13.412 17.057 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 67 14.986 14.990 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.633 17.301 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.430 17.934 -0.114 1.00 0.00 H new ATOM 1011 N MET A 68 13.263 16.338 1.586 1.00 0.00 N ATOM 1012 CA MET A 68 12.931 16.299 3.013 1.00 0.00 C ATOM 1013 C MET A 68 11.893 15.217 3.297 1.00 0.00 C ATOM 1014 O MET A 68 11.819 14.694 4.408 1.00 0.00 O ATOM 1015 CB MET A 68 12.383 17.660 3.452 1.00 0.00 C ATOM 1016 CG MET A 68 13.399 18.752 3.109 1.00 0.00 C ATOM 1017 SD MET A 68 12.840 20.336 3.783 1.00 0.00 S ATOM 1018 CE MET A 68 13.983 21.389 2.855 1.00 0.00 C ATOM 0 H MET A 68 12.550 16.772 0.999 1.00 0.00 H new ATOM 0 HA MET A 68 13.838 16.069 3.573 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.435 17.861 2.953 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.185 17.656 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.376 18.495 3.519 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.517 18.827 2.028 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.812 22.433 3.119 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.009 21.116 3.100 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.816 21.254 1.786 1.00 0.00 H new ATOM 1028 N LEU A 69 11.095 14.885 2.287 1.00 0.00 N ATOM 1029 CA LEU A 69 10.067 13.862 2.445 1.00 0.00 C ATOM 1030 C LEU A 69 10.678 12.586 3.023 1.00 0.00 C ATOM 1031 O LEU A 69 11.574 11.989 2.427 1.00 0.00 O ATOM 1032 CB LEU A 69 9.418 13.573 1.084 1.00 0.00 C ATOM 1033 CG LEU A 69 8.241 12.594 1.238 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.086 13.256 2.011 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.755 12.173 -0.155 1.00 0.00 C ATOM 0 H LEU A 69 11.139 15.305 1.358 1.00 0.00 H new ATOM 0 HA LEU A 69 9.304 14.222 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.067 14.504 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.159 13.154 0.404 1.00 0.00 H new ATOM 0 HG LEU A 69 8.575 11.720 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.262 12.549 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.433 13.551 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.744 14.138 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.921 11.479 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.430 13.054 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.569 11.687 -0.693 1.00 0.00 H new ATOM 1047 N ASP A 70 10.194 12.184 4.195 1.00 0.00 N ATOM 1048 CA ASP A 70 10.701 10.986 4.863 1.00 0.00 C ATOM 1049 C ASP A 70 10.989 9.869 3.863 1.00 0.00 C ATOM 1050 O ASP A 70 11.866 9.035 4.086 1.00 0.00 O ATOM 1051 CB ASP A 70 9.679 10.493 5.890 1.00 0.00 C ATOM 1052 CG ASP A 70 9.193 11.661 6.741 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.894 12.022 7.672 1.00 0.00 O ATOM 1054 OD2 ASP A 70 8.128 12.179 6.448 1.00 0.00 O ATOM 0 H ASP A 70 9.453 12.668 4.702 1.00 0.00 H new ATOM 0 HA ASP A 70 11.634 11.251 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.835 10.027 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.129 9.731 6.526 1.00 0.00 H new ATOM 1059 N THR A 71 10.241 9.854 2.767 1.00 0.00 N ATOM 1060 CA THR A 71 10.420 8.829 1.745 1.00 0.00 C ATOM 1061 C THR A 71 11.796 8.968 1.073 1.00 0.00 C ATOM 1062 O THR A 71 12.046 9.972 0.405 1.00 0.00 O ATOM 1063 CB THR A 71 9.327 8.965 0.678 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.052 8.960 1.304 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.416 7.798 -0.310 1.00 0.00 C ATOM 0 H THR A 71 9.509 10.535 2.563 1.00 0.00 H new ATOM 0 HA THR A 71 10.354 7.852 2.224 1.00 0.00 H new ATOM 0 HB THR A 71 9.466 9.902 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.369 9.238 0.658 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.637 7.901 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.393 7.804 -0.793 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.282 6.858 0.225 1.00 0.00 H new ATOM 1073 N PRO A 72 12.697 8.010 1.211 1.00 0.00 N ATOM 1074 CA PRO A 72 14.040 8.111 0.567 1.00 0.00 C ATOM 1075 C PRO A 72 13.946 7.943 -0.953 1.00 0.00 C ATOM 1076 O PRO A 72 12.895 8.187 -1.544 1.00 0.00 O ATOM 1077 CB PRO A 72 14.850 6.984 1.228 1.00 0.00 C ATOM 1078 CG PRO A 72 13.833 5.966 1.627 1.00 0.00 C ATOM 1079 CD PRO A 72 12.560 6.747 1.974 1.00 0.00 C ATOM 0 HA PRO A 72 14.505 9.087 0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.580 6.564 0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.404 7.350 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.649 5.261 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.178 5.385 2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.664 6.200 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.485 6.934 3.045 1.00 0.00 H new ATOM 1087 N MET A 73 15.051 7.545 -1.578 1.00 0.00 N ATOM 1088 CA MET A 73 15.094 7.368 -3.032 1.00 0.00 C ATOM 1089 C MET A 73 15.005 5.897 -3.419 1.00 0.00 C ATOM 1090 O MET A 73 14.726 5.564 -4.569 1.00 0.00 O ATOM 1091 CB MET A 73 16.407 7.923 -3.565 1.00 0.00 C ATOM 1092 CG MET A 73 17.566 7.058 -3.067 1.00 0.00 C ATOM 1093 SD MET A 73 19.126 7.946 -3.299 1.00 0.00 S ATOM 1094 CE MET A 73 20.203 6.716 -2.525 1.00 0.00 C ATOM 0 H MET A 73 15.930 7.338 -1.103 1.00 0.00 H new ATOM 0 HA MET A 73 14.241 7.896 -3.459 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.392 7.938 -4.655 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.540 8.953 -3.234 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.426 6.816 -2.013 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.589 6.114 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.235 7.064 -2.557 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.902 6.570 -1.488 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.122 5.771 -3.063 1.00 0.00 H new ATOM 1104 N SER A 74 15.267 5.024 -2.458 1.00 0.00 N ATOM 1105 CA SER A 74 15.233 3.583 -2.706 1.00 0.00 C ATOM 1106 C SER A 74 13.856 3.015 -2.391 1.00 0.00 C ATOM 1107 O SER A 74 13.476 1.963 -2.904 1.00 0.00 O ATOM 1108 CB SER A 74 16.279 2.882 -1.837 1.00 0.00 C ATOM 1109 OG SER A 74 17.580 3.261 -2.271 1.00 0.00 O ATOM 0 H SER A 74 15.505 5.283 -1.501 1.00 0.00 H new ATOM 0 HA SER A 74 15.453 3.411 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.139 3.152 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.161 1.801 -1.906 1.00 0.00 H new ATOM 0 HG SER A 74 18.253 2.815 -1.715 1.00 0.00 H new ATOM 1115 N ALA A 75 13.111 3.718 -1.547 1.00 0.00 N ATOM 1116 CA ALA A 75 11.780 3.273 -1.173 1.00 0.00 C ATOM 1117 C ALA A 75 10.866 3.255 -2.388 1.00 0.00 C ATOM 1118 O ALA A 75 9.970 2.419 -2.487 1.00 0.00 O ATOM 1119 CB ALA A 75 11.207 4.202 -0.114 1.00 0.00 C ATOM 0 H ALA A 75 13.406 4.593 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 75 11.849 2.262 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.208 3.865 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.851 4.192 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.150 5.215 -0.511 1.00 0.00 H new ATOM 1125 N LEU A 76 11.088 4.178 -3.318 1.00 0.00 N ATOM 1126 CA LEU A 76 10.251 4.210 -4.507 1.00 0.00 C ATOM 1127 C LEU A 76 10.505 2.954 -5.322 1.00 0.00 C ATOM 1128 O LEU A 76 9.572 2.270 -5.741 1.00 0.00 O ATOM 1129 CB LEU A 76 10.534 5.432 -5.384 1.00 0.00 C ATOM 1130 CG LEU A 76 10.487 6.748 -4.577 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.306 6.744 -3.601 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.797 6.980 -3.799 1.00 0.00 C ATOM 0 H LEU A 76 11.816 4.891 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 76 9.213 4.267 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.515 5.326 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.803 5.476 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 76 10.360 7.561 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.292 7.680 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.375 6.639 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.410 5.910 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.729 7.915 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.959 6.155 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.631 7.034 -4.499 1.00 0.00 H new ATOM 1144 N LYS A 77 11.781 2.652 -5.531 1.00 0.00 N ATOM 1145 CA LYS A 77 12.153 1.469 -6.286 1.00 0.00 C ATOM 1146 C LYS A 77 11.538 0.238 -5.616 1.00 0.00 C ATOM 1147 O LYS A 77 11.182 -0.734 -6.283 1.00 0.00 O ATOM 1148 CB LYS A 77 13.696 1.348 -6.350 1.00 0.00 C ATOM 1149 CG LYS A 77 14.237 1.941 -7.669 1.00 0.00 C ATOM 1150 CD LYS A 77 14.019 3.469 -7.712 1.00 0.00 C ATOM 1151 CE LYS A 77 15.192 4.193 -7.038 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.438 3.952 -7.819 1.00 0.00 N ATOM 0 H LYS A 77 12.567 3.206 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 77 11.777 1.544 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.142 1.868 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.987 0.301 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.300 1.718 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.735 1.473 -8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.924 3.801 -8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.087 3.725 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.988 5.262 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.316 3.835 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.859 4.863 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.115 3.418 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.211 3.406 -8.675 1.00 0.00 H new ATOM 1166 N ASP A 78 11.414 0.294 -4.289 1.00 0.00 N ATOM 1167 CA ASP A 78 10.841 -0.811 -3.534 1.00 0.00 C ATOM 1168 C ASP A 78 9.336 -0.900 -3.784 1.00 0.00 C ATOM 1169 O ASP A 78 8.835 -1.928 -4.239 1.00 0.00 O ATOM 1170 CB ASP A 78 11.112 -0.606 -2.037 1.00 0.00 C ATOM 1171 CG ASP A 78 12.563 -0.953 -1.713 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.437 -0.472 -2.416 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.778 -1.693 -0.767 1.00 0.00 O ATOM 0 H ASP A 78 11.702 1.091 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 78 11.304 -1.742 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.907 0.428 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.441 -1.232 -1.449 1.00 0.00 H new ATOM 1178 N ALA A 79 8.621 0.178 -3.472 1.00 0.00 N ATOM 1179 CA ALA A 79 7.174 0.205 -3.656 1.00 0.00 C ATOM 1180 C ALA A 79 6.795 0.042 -5.131 1.00 0.00 C ATOM 1181 O ALA A 79 6.130 -0.925 -5.495 1.00 0.00 O ATOM 1182 CB ALA A 79 6.607 1.520 -3.112 1.00 0.00 C ATOM 0 H ALA A 79 9.017 1.038 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 79 6.746 -0.633 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.526 1.536 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.837 1.604 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.054 2.358 -3.647 1.00 0.00 H new ATOM 1188 N VAL A 80 7.204 1.006 -5.967 1.00 0.00 N ATOM 1189 CA VAL A 80 6.895 0.982 -7.406 1.00 0.00 C ATOM 1190 C VAL A 80 6.879 -0.446 -7.957 1.00 0.00 C ATOM 1191 O VAL A 80 6.225 -0.731 -8.960 1.00 0.00 O ATOM 1192 CB VAL A 80 7.913 1.839 -8.165 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.203 1.052 -8.407 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.333 2.270 -9.517 1.00 0.00 C ATOM 0 H VAL A 80 7.751 1.815 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 80 5.896 1.395 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 80 8.135 2.719 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.914 1.677 -8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.633 0.756 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.981 0.162 -8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.064 2.879 -10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.096 1.386 -10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.426 2.852 -9.355 1.00 0.00 H new ATOM 1204 N ARG A 81 7.600 -1.330 -7.284 1.00 0.00 N ATOM 1205 CA ARG A 81 7.668 -2.726 -7.693 1.00 0.00 C ATOM 1206 C ARG A 81 6.407 -3.453 -7.256 1.00 0.00 C ATOM 1207 O ARG A 81 5.696 -4.051 -8.064 1.00 0.00 O ATOM 1208 CB ARG A 81 8.880 -3.405 -7.054 1.00 0.00 C ATOM 1209 CG ARG A 81 9.113 -4.767 -7.712 1.00 0.00 C ATOM 1210 CD ARG A 81 10.097 -5.580 -6.866 1.00 0.00 C ATOM 1211 NE ARG A 81 11.410 -4.947 -6.878 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.317 -5.230 -5.949 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.042 -6.096 -5.012 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.482 -4.642 -5.974 1.00 0.00 N ATOM 0 H ARG A 81 8.146 -1.106 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 81 7.760 -2.766 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.764 -2.778 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.717 -3.530 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.169 -5.303 -7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.507 -4.634 -8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.731 -5.657 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.171 -6.595 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 81 11.636 -4.276 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.131 -6.555 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.738 -6.314 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.696 -3.965 -6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.178 -4.859 -5.261 1.00 0.00 H new ATOM 1228 N ILE A 82 6.162 -3.410 -5.957 1.00 0.00 N ATOM 1229 CA ILE A 82 5.012 -4.073 -5.371 1.00 0.00 C ATOM 1230 C ILE A 82 3.716 -3.767 -6.135 1.00 0.00 C ATOM 1231 O ILE A 82 2.905 -4.668 -6.346 1.00 0.00 O ATOM 1232 CB ILE A 82 4.896 -3.675 -3.888 1.00 0.00 C ATOM 1233 CG1 ILE A 82 5.937 -4.452 -3.073 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.498 -3.999 -3.356 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.052 -3.849 -1.674 1.00 0.00 C ATOM 0 H ILE A 82 6.750 -2.918 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 82 5.162 -5.150 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 82 5.071 -2.603 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.650 -5.501 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.904 -4.418 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.432 -3.712 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.753 -3.448 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.311 -5.069 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.793 -4.404 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.360 -2.806 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.086 -3.906 -1.173 1.00 0.00 H new ATOM 1247 N LEU A 83 3.507 -2.515 -6.558 1.00 0.00 N ATOM 1248 CA LEU A 83 2.279 -2.200 -7.294 1.00 0.00 C ATOM 1249 C LEU A 83 2.412 -2.689 -8.728 1.00 0.00 C ATOM 1250 O LEU A 83 1.444 -3.162 -9.323 1.00 0.00 O ATOM 1251 CB LEU A 83 1.927 -0.684 -7.300 1.00 0.00 C ATOM 1252 CG LEU A 83 2.479 0.076 -6.067 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.470 -0.781 -4.789 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.879 0.582 -6.361 1.00 0.00 C ATOM 0 H LEU A 83 4.144 -1.732 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 83 1.466 -2.709 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.325 -0.229 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.844 -0.569 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 83 1.816 0.920 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.867 -0.199 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.448 -1.086 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.088 -1.666 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.263 1.116 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.531 -0.262 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.850 1.256 -7.217 1.00 0.00 H new ATOM 1266 N TRP A 84 3.615 -2.583 -9.277 1.00 0.00 N ATOM 1267 CA TRP A 84 3.845 -3.037 -10.648 1.00 0.00 C ATOM 1268 C TRP A 84 3.290 -4.454 -10.814 1.00 0.00 C ATOM 1269 O TRP A 84 3.131 -4.945 -11.932 1.00 0.00 O ATOM 1270 CB TRP A 84 5.365 -3.019 -10.952 1.00 0.00 C ATOM 1271 CG TRP A 84 5.710 -1.978 -11.974 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.547 -2.172 -13.018 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.257 -0.598 -12.065 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.636 -1.000 -13.744 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.860 0.001 -13.196 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.391 0.187 -11.283 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.612 1.328 -13.541 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.138 1.525 -11.628 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.750 2.093 -12.755 1.00 0.00 C ATOM 0 H TRP A 84 4.434 -2.195 -8.808 1.00 0.00 H new ATOM 0 HA TRP A 84 3.337 -2.371 -11.346 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.918 -2.825 -10.033 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.677 -4.000 -11.311 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.062 -3.093 -13.247 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.206 -0.888 -14.583 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.918 -0.241 -10.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.084 1.761 -14.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.469 2.119 -11.023 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.554 3.123 -13.014 1.00 0.00 H new ATOM 1290 N GLY A 85 3.015 -5.106 -9.690 1.00 0.00 N ATOM 1291 CA GLY A 85 2.497 -6.467 -9.714 1.00 0.00 C ATOM 1292 C GLY A 85 3.631 -7.454 -9.953 1.00 0.00 C ATOM 1293 O GLY A 85 3.405 -8.592 -10.362 1.00 0.00 O ATOM 0 H GLY A 85 3.141 -4.716 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.001 -6.692 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.747 -6.565 -10.499 1.00 0.00 H new ATOM 1297 N GLU A 86 4.858 -7.001 -9.693 1.00 0.00 N ATOM 1298 CA GLU A 86 6.047 -7.835 -9.876 1.00 0.00 C ATOM 1299 C GLU A 86 6.691 -8.137 -8.530 1.00 0.00 C ATOM 1300 O GLU A 86 7.780 -8.709 -8.470 1.00 0.00 O ATOM 1301 CB GLU A 86 7.051 -7.115 -10.776 1.00 0.00 C ATOM 1302 CG GLU A 86 6.393 -6.808 -12.122 1.00 0.00 C ATOM 1303 CD GLU A 86 7.267 -5.851 -12.924 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.386 -5.607 -12.502 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.807 -5.377 -13.949 1.00 0.00 O ATOM 0 H GLU A 86 5.055 -6.059 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 86 5.749 -8.773 -10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.385 -6.192 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.935 -7.735 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.242 -7.731 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.409 -6.368 -11.963 1.00 0.00 H new ATOM 1312 N ALA A 87 6.010 -7.739 -7.454 1.00 0.00 N ATOM 1313 CA ALA A 87 6.509 -7.962 -6.096 1.00 0.00 C ATOM 1314 C ALA A 87 7.250 -9.301 -5.988 1.00 0.00 C ATOM 1315 O ALA A 87 8.118 -9.472 -5.133 1.00 0.00 O ATOM 1316 CB ALA A 87 5.326 -7.939 -5.112 1.00 0.00 C ATOM 0 H ALA A 87 5.110 -7.260 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 87 7.214 -7.168 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.692 -8.105 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.828 -6.971 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.619 -8.725 -5.375 1.00 0.00 H new ATOM 1322 N GLU A 88 6.891 -10.241 -6.863 1.00 0.00 N ATOM 1323 CA GLU A 88 7.516 -11.564 -6.870 1.00 0.00 C ATOM 1324 C GLU A 88 9.009 -11.472 -6.559 1.00 0.00 C ATOM 1325 O GLU A 88 9.457 -11.900 -5.496 1.00 0.00 O ATOM 1326 CB GLU A 88 7.322 -12.225 -8.237 1.00 0.00 C ATOM 1327 CG GLU A 88 5.827 -12.347 -8.544 1.00 0.00 C ATOM 1328 CD GLU A 88 5.623 -12.662 -10.022 1.00 0.00 C ATOM 1329 OE1 GLU A 88 5.589 -13.834 -10.359 1.00 0.00 O ATOM 1330 OE2 GLU A 88 5.504 -11.726 -10.795 1.00 0.00 O ATOM 0 H GLU A 88 6.172 -10.111 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 88 7.038 -12.165 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.815 -11.635 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.786 -13.211 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.384 -13.133 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.318 -11.418 -8.288 1.00 0.00 H new