USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 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 16 SER OG : rot -6:sc= -0.0952 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -175:sc= -0.0149 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -151:sc= -0.311 (180deg=-1.56) USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 0.611 (180deg=0.113) USER MOD Single : A 26 SER OG : rot -52:sc= 1.16 USER MOD Single : A 27 CYS SG : rot -86:sc= -3.62! USER MOD Single : A 28 GLN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 29 THR OG1 : rot -45:sc= 0.35 USER MOD Single : A 39 TYR OH : rot 48:sc= 0.863 USER MOD Single : A 40 TYR OH : rot -13:sc= 1.24 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -169:sc= 0.827 USER MOD Single : A 56 SER OG : rot -130:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 13.008 -1.346 -1.455 1.00 0.00 N ATOM 207 CA TYR A 13 12.210 -1.376 -2.678 1.00 0.00 C ATOM 208 C TYR A 13 11.390 -2.686 -2.775 1.00 0.00 C ATOM 209 O TYR A 13 10.323 -2.713 -3.389 1.00 0.00 O ATOM 210 CB TYR A 13 13.167 -1.140 -3.864 1.00 0.00 C ATOM 211 CG TYR A 13 13.538 0.322 -4.110 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.517 1.269 -3.067 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.866 0.764 -5.412 1.00 0.00 C ATOM 214 CE1 TYR A 13 13.772 2.624 -3.294 1.00 0.00 C ATOM 215 CE2 TYR A 13 14.124 2.131 -5.649 1.00 0.00 C ATOM 216 CZ TYR A 13 14.069 3.064 -4.596 1.00 0.00 C ATOM 217 OH TYR A 13 14.274 4.389 -4.831 1.00 0.00 O ATOM 0 HA TYR A 13 11.460 -0.585 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.081 -1.708 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.708 -1.540 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.297 0.938 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.919 0.056 -6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.741 3.328 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.366 2.465 -6.647 1.00 0.00 H new ATOM 0 HH TYR A 13 14.469 4.526 -5.781 1.00 0.00 H new ATOM 227 N GLU A 14 11.823 -3.746 -2.070 1.00 0.00 N ATOM 228 CA GLU A 14 10.990 -4.913 -1.682 1.00 0.00 C ATOM 229 C GLU A 14 10.008 -4.567 -0.556 1.00 0.00 C ATOM 230 O GLU A 14 8.841 -4.955 -0.616 1.00 0.00 O ATOM 231 CB GLU A 14 11.889 -6.079 -1.260 1.00 0.00 C ATOM 232 CG GLU A 14 11.119 -7.384 -1.034 1.00 0.00 C ATOM 233 CD GLU A 14 12.090 -8.522 -0.762 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.453 -8.730 0.420 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.471 -9.213 -1.730 1.00 0.00 O ATOM 0 H GLU A 14 12.786 -3.823 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 14 10.400 -5.203 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.647 -6.240 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.414 -5.811 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.434 -7.271 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.513 -7.614 -1.910 1.00 0.00 H new ATOM 242 N ALA A 15 10.449 -3.772 0.424 1.00 0.00 N ATOM 243 CA ALA A 15 9.662 -3.280 1.574 1.00 0.00 C ATOM 244 C ALA A 15 8.309 -2.655 1.184 1.00 0.00 C ATOM 245 O ALA A 15 7.281 -2.821 1.840 1.00 0.00 O ATOM 246 CB ALA A 15 10.463 -2.160 2.239 1.00 0.00 C ATOM 0 H ALA A 15 11.411 -3.434 0.444 1.00 0.00 H new ATOM 0 HA ALA A 15 9.471 -4.142 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.908 -1.774 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.423 -2.550 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.629 -1.356 1.522 1.00 0.00 H new ATOM 252 N SER A 16 8.355 -1.917 0.077 1.00 0.00 N ATOM 253 CA SER A 16 7.297 -1.076 -0.459 1.00 0.00 C ATOM 254 C SER A 16 5.977 -1.825 -0.783 1.00 0.00 C ATOM 255 O SER A 16 4.889 -1.253 -0.772 1.00 0.00 O ATOM 256 CB SER A 16 7.901 -0.478 -1.736 1.00 0.00 C ATOM 257 OG SER A 16 8.620 0.711 -1.489 1.00 0.00 O ATOM 0 H SER A 16 9.192 -1.892 -0.506 1.00 0.00 H new ATOM 0 HA SER A 16 6.998 -0.336 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.564 -1.210 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.103 -0.275 -2.450 1.00 0.00 H new ATOM 0 HG SER A 16 8.508 0.972 -0.551 1.00 0.00 H new ATOM 263 N ILE A 17 6.081 -3.132 -1.046 1.00 0.00 N ATOM 264 CA ILE A 17 5.008 -4.043 -1.508 1.00 0.00 C ATOM 265 C ILE A 17 4.720 -5.148 -0.446 1.00 0.00 C ATOM 266 O ILE A 17 3.822 -5.979 -0.599 1.00 0.00 O ATOM 267 CB ILE A 17 5.449 -4.567 -2.912 1.00 0.00 C ATOM 268 CG1 ILE A 17 5.138 -3.560 -4.058 1.00 0.00 C ATOM 269 CG2 ILE A 17 4.847 -5.917 -3.344 1.00 0.00 C ATOM 270 CD1 ILE A 17 5.946 -2.261 -4.040 1.00 0.00 C ATOM 0 H ILE A 17 6.970 -3.621 -0.938 1.00 0.00 H new ATOM 0 HA ILE A 17 4.047 -3.541 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 17 6.522 -4.697 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.310 -4.059 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.078 -3.307 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.222 -6.183 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.132 -6.688 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.760 -5.837 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.648 -1.636 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.758 -1.729 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.008 -2.492 -4.118 1.00 0.00 H new ATOM 282 N ASP A 18 5.450 -5.125 0.675 1.00 0.00 N ATOM 283 CA ASP A 18 5.455 -6.168 1.723 1.00 0.00 C ATOM 284 C ASP A 18 4.320 -6.024 2.755 1.00 0.00 C ATOM 285 O ASP A 18 3.998 -6.978 3.469 1.00 0.00 O ATOM 286 CB ASP A 18 6.827 -6.157 2.431 1.00 0.00 C ATOM 287 CG ASP A 18 7.035 -7.346 3.398 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.101 -8.509 2.928 1.00 0.00 O ATOM 289 OD2 ASP A 18 7.179 -7.113 4.624 1.00 0.00 O ATOM 0 H ASP A 18 6.080 -4.352 0.891 1.00 0.00 H new ATOM 0 HA ASP A 18 5.279 -7.122 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.615 -6.170 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.932 -5.225 2.987 1.00 0.00 H new ATOM 294 N GLU A 19 3.674 -4.850 2.782 1.00 0.00 N ATOM 295 CA GLU A 19 2.507 -4.535 3.629 1.00 0.00 C ATOM 296 C GLU A 19 1.298 -4.177 2.778 1.00 0.00 C ATOM 297 O GLU A 19 0.388 -4.986 2.638 1.00 0.00 O ATOM 298 CB GLU A 19 2.801 -3.377 4.607 1.00 0.00 C ATOM 299 CG GLU A 19 3.891 -3.674 5.632 1.00 0.00 C ATOM 300 CD GLU A 19 4.103 -2.440 6.499 1.00 0.00 C ATOM 301 OE1 GLU A 19 3.363 -2.262 7.492 1.00 0.00 O ATOM 302 OE2 GLU A 19 4.980 -1.611 6.163 1.00 0.00 O ATOM 0 H GLU A 19 3.956 -4.064 2.196 1.00 0.00 H new ATOM 0 HA GLU A 19 2.291 -5.432 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.091 -2.498 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.882 -3.123 5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.605 -4.525 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.819 -3.944 5.128 1.00 0.00 H new ATOM 309 N PHE A 20 1.316 -2.994 2.157 1.00 0.00 N ATOM 310 CA PHE A 20 0.152 -2.372 1.527 1.00 0.00 C ATOM 311 C PHE A 20 -0.475 -3.221 0.432 1.00 0.00 C ATOM 312 O PHE A 20 -1.664 -3.452 0.491 1.00 0.00 O ATOM 313 CB PHE A 20 0.567 -1.052 0.847 1.00 0.00 C ATOM 314 CG PHE A 20 1.122 0.021 1.743 1.00 0.00 C ATOM 315 CD1 PHE A 20 2.496 0.036 2.052 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.281 1.045 2.216 1.00 0.00 C ATOM 317 CE1 PHE A 20 3.021 1.042 2.873 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.816 2.063 3.022 1.00 0.00 C ATOM 319 CZ PHE A 20 2.179 2.059 3.365 1.00 0.00 C ATOM 0 H PHE A 20 2.162 -2.430 2.078 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.568 -2.231 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.313 -1.281 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.303 -0.647 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.146 -0.730 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.768 1.048 1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.070 1.038 3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.175 2.855 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.579 2.833 4.003 1.00 0.00 H new ATOM 329 N MET A 21 0.297 -3.753 -0.508 1.00 0.00 N ATOM 330 CA MET A 21 -0.215 -4.442 -1.715 1.00 0.00 C ATOM 331 C MET A 21 -1.105 -5.634 -1.388 1.00 0.00 C ATOM 332 O MET A 21 -2.126 -5.845 -2.041 1.00 0.00 O ATOM 333 CB MET A 21 0.930 -4.959 -2.597 1.00 0.00 C ATOM 334 CG MET A 21 1.473 -3.884 -3.529 1.00 0.00 C ATOM 335 SD MET A 21 0.357 -3.160 -4.756 1.00 0.00 S ATOM 336 CE MET A 21 -0.554 -4.614 -5.359 1.00 0.00 C ATOM 0 H MET A 21 1.316 -3.724 -0.464 1.00 0.00 H new ATOM 0 HA MET A 21 -0.800 -3.687 -2.240 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.736 -5.328 -1.963 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.577 -5.804 -3.188 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.857 -3.073 -2.911 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.323 -4.307 -4.063 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.861 -4.449 -6.392 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.089 -5.493 -5.308 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.437 -4.773 -4.739 1.00 0.00 H new ATOM 346 N GLY A 22 -0.772 -6.368 -0.333 1.00 0.00 N ATOM 347 CA GLY A 22 -1.636 -7.397 0.229 1.00 0.00 C ATOM 348 C GLY A 22 -2.815 -6.802 0.976 1.00 0.00 C ATOM 349 O GLY A 22 -3.909 -7.344 0.902 1.00 0.00 O ATOM 0 H GLY A 22 0.114 -6.264 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.001 -8.041 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.058 -8.026 0.906 1.00 0.00 H new ATOM 353 N LYS A 23 -2.618 -5.711 1.711 1.00 0.00 N ATOM 354 CA LYS A 23 -3.621 -5.055 2.502 1.00 0.00 C ATOM 355 C LYS A 23 -4.756 -4.549 1.587 1.00 0.00 C ATOM 356 O LYS A 23 -5.929 -4.778 1.863 1.00 0.00 O ATOM 357 CB LYS A 23 -2.888 -4.080 3.428 1.00 0.00 C ATOM 358 CG LYS A 23 -3.192 -2.628 3.228 1.00 0.00 C ATOM 359 CD LYS A 23 -2.545 -1.776 4.327 1.00 0.00 C ATOM 360 CE LYS A 23 -3.155 -2.062 5.700 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.519 -1.314 6.807 1.00 0.00 N ATOM 0 H LYS A 23 -1.710 -5.250 1.765 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.179 -5.697 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.126 -4.342 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.815 -4.227 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.828 -2.307 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.271 -2.475 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.474 -1.974 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.668 -0.720 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.217 -1.818 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.079 -3.130 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.232 -1.091 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.766 -1.893 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.111 -0.431 6.440 1.00 0.00 H new ATOM 375 N ILE A 24 -4.392 -3.958 0.441 1.00 0.00 N ATOM 376 CA ILE A 24 -5.302 -3.598 -0.652 1.00 0.00 C ATOM 377 C ILE A 24 -5.859 -4.772 -1.435 1.00 0.00 C ATOM 378 O ILE A 24 -7.069 -4.832 -1.637 1.00 0.00 O ATOM 379 CB ILE A 24 -4.672 -2.595 -1.623 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.327 -2.910 -2.239 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.805 -1.213 -0.986 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.724 -1.728 -2.928 1.00 0.00 C ATOM 0 H ILE A 24 -3.423 -3.709 0.244 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.145 -3.136 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.237 -2.655 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.647 -3.260 -1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.440 -3.725 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.367 -0.464 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.859 -0.985 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.284 -1.202 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.760 -2.007 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.388 -1.393 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.584 -0.921 -2.209 1.00 0.00 H new ATOM 394 N ALA A 25 -5.028 -5.739 -1.817 1.00 0.00 N ATOM 395 CA ALA A 25 -5.509 -6.933 -2.514 1.00 0.00 C ATOM 396 C ALA A 25 -6.494 -7.743 -1.634 1.00 0.00 C ATOM 397 O ALA A 25 -7.334 -8.494 -2.134 1.00 0.00 O ATOM 398 CB ALA A 25 -4.345 -7.802 -2.991 1.00 0.00 C ATOM 0 H ALA A 25 -4.021 -5.721 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.056 -6.601 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.734 -8.681 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.720 -7.229 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.750 -8.117 -2.133 1.00 0.00 H new ATOM 404 N SER A 26 -6.406 -7.532 -0.317 1.00 0.00 N ATOM 405 CA SER A 26 -7.266 -8.085 0.718 1.00 0.00 C ATOM 406 C SER A 26 -8.270 -7.067 1.289 1.00 0.00 C ATOM 407 O SER A 26 -8.873 -7.318 2.338 1.00 0.00 O ATOM 408 CB SER A 26 -6.419 -8.705 1.841 1.00 0.00 C ATOM 409 OG SER A 26 -7.261 -9.280 2.827 1.00 0.00 O ATOM 0 H SER A 26 -5.682 -6.929 0.074 1.00 0.00 H new ATOM 0 HA SER A 26 -7.863 -8.863 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.756 -9.466 1.429 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.786 -7.942 2.293 1.00 0.00 H new ATOM 0 HG SER A 26 -7.921 -8.617 3.121 1.00 0.00 H new ATOM 415 N CYS A 27 -8.473 -5.899 0.683 1.00 0.00 N ATOM 416 CA CYS A 27 -9.223 -4.861 1.365 1.00 0.00 C ATOM 417 C CYS A 27 -10.727 -5.205 1.533 1.00 0.00 C ATOM 418 O CYS A 27 -11.416 -4.699 2.420 1.00 0.00 O ATOM 419 CB CYS A 27 -9.044 -3.555 0.614 1.00 0.00 C ATOM 420 SG CYS A 27 -9.821 -3.574 -0.997 1.00 0.00 S ATOM 0 H CYS A 27 -8.138 -5.657 -0.250 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.828 -4.771 2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.462 -2.740 1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.980 -3.350 0.497 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.003 -4.088 -1.867 1.00 0.00 H new ATOM 426 N GLN A 28 -11.225 -6.066 0.629 1.00 0.00 N ATOM 427 CA GLN A 28 -12.570 -6.683 0.498 1.00 0.00 C ATOM 428 C GLN A 28 -13.767 -5.721 0.383 1.00 0.00 C ATOM 429 O GLN A 28 -14.908 -6.151 0.236 1.00 0.00 O ATOM 430 CB GLN A 28 -12.812 -7.657 1.661 1.00 0.00 C ATOM 431 CG GLN A 28 -11.818 -8.815 1.747 1.00 0.00 C ATOM 432 CD GLN A 28 -11.724 -9.306 3.172 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.418 -10.224 3.593 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.892 -8.672 3.964 1.00 0.00 N ATOM 0 H GLN A 28 -10.622 -6.391 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.533 -7.191 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.779 -7.099 2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.818 -8.067 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.135 -9.627 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.837 -8.491 1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.321 -7.910 3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.816 -8.941 4.945 1.00 0.00 H new ATOM 443 N THR A 29 -13.510 -4.421 0.476 1.00 0.00 N ATOM 444 CA THR A 29 -14.505 -3.355 0.596 1.00 0.00 C ATOM 445 C THR A 29 -13.893 -2.103 0.035 1.00 0.00 C ATOM 446 O THR A 29 -12.723 -1.827 0.303 1.00 0.00 O ATOM 447 CB THR A 29 -14.861 -3.065 2.065 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.711 -2.990 2.892 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.801 -4.105 2.669 1.00 0.00 C ATOM 0 H THR A 29 -12.555 -4.061 0.470 1.00 0.00 H new ATOM 0 HA THR A 29 -15.408 -3.664 0.070 1.00 0.00 H new ATOM 0 HB THR A 29 -15.365 -2.099 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.105 -3.730 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.014 -3.844 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.732 -4.127 2.102 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.330 -5.087 2.631 1.00 0.00 H new ATOM 457 N LEU A 30 -14.652 -1.296 -0.707 1.00 0.00 N ATOM 458 CA LEU A 30 -14.070 -0.051 -1.178 1.00 0.00 C ATOM 459 C LEU A 30 -13.874 0.897 -0.022 1.00 0.00 C ATOM 460 O LEU A 30 -12.930 1.649 0.074 1.00 0.00 O ATOM 461 CB LEU A 30 -14.975 0.664 -2.156 1.00 0.00 C ATOM 462 CG LEU A 30 -14.037 1.668 -2.836 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.657 1.298 -4.203 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.599 3.023 -2.789 1.00 0.00 C ATOM 0 H LEU A 30 -15.619 -1.471 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.129 -0.316 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.415 -0.026 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.800 1.164 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.111 1.648 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.993 2.058 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.144 0.336 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.551 1.224 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.916 3.717 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.560 3.037 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.740 3.323 -1.751 1.00 0.00 H new ATOM 476 N GLU A 31 -14.830 0.822 0.869 1.00 0.00 N ATOM 477 CA GLU A 31 -14.941 1.612 2.048 1.00 0.00 C ATOM 478 C GLU A 31 -13.771 1.394 2.979 1.00 0.00 C ATOM 479 O GLU A 31 -13.285 2.333 3.600 1.00 0.00 O ATOM 480 CB GLU A 31 -16.262 1.137 2.649 1.00 0.00 C ATOM 481 CG GLU A 31 -16.836 2.161 3.565 1.00 0.00 C ATOM 482 CD GLU A 31 -18.066 1.634 4.287 1.00 0.00 C ATOM 483 OE1 GLU A 31 -19.175 1.754 3.727 1.00 0.00 O ATOM 484 OE2 GLU A 31 -17.920 1.125 5.420 1.00 0.00 O ATOM 0 H GLU A 31 -15.599 0.159 0.774 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.927 2.685 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.971 0.922 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.103 0.206 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.084 2.460 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.100 3.052 2.996 1.00 0.00 H new ATOM 491 N GLY A 32 -13.274 0.158 3.009 1.00 0.00 N ATOM 492 CA GLY A 32 -11.961 -0.165 3.546 1.00 0.00 C ATOM 493 C GLY A 32 -10.784 0.255 2.702 1.00 0.00 C ATOM 494 O GLY A 32 -9.868 0.846 3.238 1.00 0.00 O ATOM 0 H GLY A 32 -13.781 -0.654 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.866 0.302 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.907 -1.243 3.700 1.00 0.00 H new ATOM 498 N LEU A 33 -10.807 0.078 1.390 1.00 0.00 N ATOM 499 CA LEU A 33 -9.730 0.489 0.496 1.00 0.00 C ATOM 500 C LEU A 33 -9.418 1.976 0.548 1.00 0.00 C ATOM 501 O LEU A 33 -8.277 2.388 0.568 1.00 0.00 O ATOM 502 CB LEU A 33 -10.236 0.159 -0.904 1.00 0.00 C ATOM 503 CG LEU A 33 -9.336 0.595 -2.065 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.878 0.251 -1.902 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.797 -0.124 -3.296 1.00 0.00 C ATOM 0 H LEU A 33 -11.589 -0.363 0.905 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.811 -0.021 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.384 -0.919 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.213 0.624 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.415 1.681 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.322 0.599 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.488 0.734 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.767 -0.829 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.174 0.166 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.718 -1.200 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.835 0.138 -3.503 1.00 0.00 H new ATOM 517 N GLU A 34 -10.472 2.751 0.615 1.00 0.00 N ATOM 518 CA GLU A 34 -10.576 4.176 0.919 1.00 0.00 C ATOM 519 C GLU A 34 -10.053 4.574 2.307 1.00 0.00 C ATOM 520 O GLU A 34 -9.505 5.661 2.486 1.00 0.00 O ATOM 521 CB GLU A 34 -12.053 4.530 0.856 1.00 0.00 C ATOM 522 CG GLU A 34 -12.556 4.723 -0.570 1.00 0.00 C ATOM 523 CD GLU A 34 -12.176 6.100 -1.109 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.987 6.318 -1.432 1.00 0.00 O ATOM 525 OE2 GLU A 34 -13.076 6.959 -1.247 1.00 0.00 O ATOM 0 H GLU A 34 -11.396 2.358 0.437 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.958 4.710 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.631 3.741 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.227 5.444 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.137 3.950 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.639 4.606 -0.595 1.00 0.00 H new ATOM 532 N GLU A 35 -10.215 3.691 3.299 1.00 0.00 N ATOM 533 CA GLU A 35 -9.568 3.797 4.641 1.00 0.00 C ATOM 534 C GLU A 35 -8.092 3.452 4.561 1.00 0.00 C ATOM 535 O GLU A 35 -7.287 4.158 5.153 1.00 0.00 O ATOM 536 CB GLU A 35 -10.185 2.898 5.727 1.00 0.00 C ATOM 537 CG GLU A 35 -11.616 3.272 6.063 1.00 0.00 C ATOM 538 CD GLU A 35 -11.684 4.203 7.271 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.710 3.702 8.418 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.723 5.440 7.073 1.00 0.00 O ATOM 0 H GLU A 35 -10.806 2.865 3.205 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.731 4.835 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.155 1.861 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.578 2.959 6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.078 3.757 5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.191 2.368 6.266 1.00 0.00 H new ATOM 547 N LEU A 36 -7.724 2.449 3.765 1.00 0.00 N ATOM 548 CA LEU A 36 -6.345 2.156 3.371 1.00 0.00 C ATOM 549 C LEU A 36 -5.758 3.339 2.590 1.00 0.00 C ATOM 550 O LEU A 36 -4.593 3.661 2.756 1.00 0.00 O ATOM 551 CB LEU A 36 -6.113 0.863 2.552 1.00 0.00 C ATOM 552 CG LEU A 36 -6.811 -0.388 3.065 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.680 -1.549 2.094 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.206 -0.774 4.388 1.00 0.00 C ATOM 0 H LEU A 36 -8.398 1.797 3.364 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.839 1.988 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.439 1.042 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.041 0.668 2.515 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.872 -0.165 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.192 -2.422 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.128 -1.276 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.626 -1.783 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.699 -1.670 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.142 -0.972 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.338 0.040 5.100 1.00 0.00 H new ATOM 566 N GLU A 37 -6.552 4.013 1.750 1.00 0.00 N ATOM 567 CA GLU A 37 -6.158 5.157 0.954 1.00 0.00 C ATOM 568 C GLU A 37 -5.825 6.337 1.820 1.00 0.00 C ATOM 569 O GLU A 37 -4.786 6.965 1.664 1.00 0.00 O ATOM 570 CB GLU A 37 -7.254 5.573 -0.020 1.00 0.00 C ATOM 571 CG GLU A 37 -6.725 6.287 -1.259 1.00 0.00 C ATOM 572 CD GLU A 37 -6.599 7.802 -1.171 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.168 8.446 -0.259 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.942 8.361 -2.085 1.00 0.00 O ATOM 0 H GLU A 37 -7.529 3.756 1.608 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.275 4.848 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.810 4.688 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.958 6.227 0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.743 5.877 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.381 6.048 -2.096 1.00 0.00 H new ATOM 581 N ALA A 38 -6.692 6.567 2.805 1.00 0.00 N ATOM 582 CA ALA A 38 -6.402 7.544 3.811 1.00 0.00 C ATOM 583 C ALA A 38 -5.180 7.122 4.642 1.00 0.00 C ATOM 584 O ALA A 38 -4.247 7.895 4.780 1.00 0.00 O ATOM 585 CB ALA A 38 -7.634 7.767 4.691 1.00 0.00 C ATOM 0 H ALA A 38 -7.586 6.088 2.914 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.154 8.490 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.406 8.511 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.462 8.120 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.913 6.829 5.171 1.00 0.00 H new ATOM 591 N TYR A 39 -5.110 5.872 5.127 1.00 0.00 N ATOM 592 CA TYR A 39 -4.011 5.392 5.985 1.00 0.00 C ATOM 593 C TYR A 39 -2.645 5.432 5.243 1.00 0.00 C ATOM 594 O TYR A 39 -1.611 5.736 5.845 1.00 0.00 O ATOM 595 CB TYR A 39 -4.314 3.980 6.528 1.00 0.00 C ATOM 596 CG TYR A 39 -3.142 3.025 6.493 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.901 2.321 5.305 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.210 2.951 7.551 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.708 1.623 5.123 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.033 2.200 7.386 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.771 1.552 6.166 1.00 0.00 C ATOM 602 OH TYR A 39 0.387 0.859 5.992 1.00 0.00 O ATOM 0 H TYR A 39 -5.816 5.162 4.935 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.935 6.070 6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.663 4.068 7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.132 3.551 5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.646 2.319 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.400 3.468 8.480 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.505 1.137 4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.327 2.121 8.200 1.00 0.00 H new ATOM 0 HH TYR A 39 0.797 1.115 5.139 1.00 0.00 H new ATOM 612 N TYR A 40 -2.657 5.223 3.924 1.00 0.00 N ATOM 613 CA TYR A 40 -1.539 5.434 3.003 1.00 0.00 C ATOM 614 C TYR A 40 -1.123 6.899 3.075 1.00 0.00 C ATOM 615 O TYR A 40 -0.033 7.211 3.550 1.00 0.00 O ATOM 616 CB TYR A 40 -2.025 5.047 1.591 1.00 0.00 C ATOM 617 CG TYR A 40 -1.375 5.691 0.379 1.00 0.00 C ATOM 618 CD1 TYR A 40 -0.010 5.511 0.062 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.169 6.502 -0.448 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.546 6.197 -1.044 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.602 7.207 -1.515 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.242 7.062 -1.814 1.00 0.00 C ATOM 623 OH TYR A 40 0.258 7.762 -2.867 1.00 0.00 O ATOM 0 H TYR A 40 -3.491 4.884 3.445 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.672 4.825 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.910 3.968 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.093 5.260 1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.605 4.854 0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.229 6.582 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.586 6.052 -1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.216 7.866 -2.111 1.00 0.00 H new ATOM 0 HH TYR A 40 1.237 7.730 -2.846 1.00 0.00 H new ATOM 633 N LYS A 41 -2.045 7.826 2.830 1.00 0.00 N ATOM 634 CA LYS A 41 -1.724 9.263 2.866 1.00 0.00 C ATOM 635 C LYS A 41 -1.223 9.744 4.250 1.00 0.00 C ATOM 636 O LYS A 41 -0.319 10.574 4.352 1.00 0.00 O ATOM 637 CB LYS A 41 -2.950 10.054 2.432 1.00 0.00 C ATOM 638 CG LYS A 41 -3.363 9.630 1.011 1.00 0.00 C ATOM 639 CD LYS A 41 -3.104 10.687 -0.062 1.00 0.00 C ATOM 640 CE LYS A 41 -1.607 10.758 -0.370 1.00 0.00 C ATOM 641 NZ LYS A 41 -1.069 12.136 -0.282 1.00 0.00 N ATOM 0 H LYS A 41 -3.018 7.617 2.605 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.898 9.435 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.772 9.881 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.733 11.122 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.825 8.720 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.425 9.383 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.660 10.443 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.461 11.659 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.066 10.116 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.427 10.366 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.052 12.126 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.563 12.746 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.214 12.504 0.680 1.00 0.00 H new ATOM 655 N LYS A 42 -1.799 9.190 5.322 1.00 0.00 N ATOM 656 CA LYS A 42 -1.524 9.426 6.724 1.00 0.00 C ATOM 657 C LYS A 42 -0.131 8.940 7.163 1.00 0.00 C ATOM 658 O LYS A 42 0.565 9.656 7.876 1.00 0.00 O ATOM 659 CB LYS A 42 -2.647 8.658 7.448 1.00 0.00 C ATOM 660 CG LYS A 42 -4.047 9.279 7.359 1.00 0.00 C ATOM 661 CD LYS A 42 -4.302 10.457 8.291 1.00 0.00 C ATOM 662 CE LYS A 42 -5.691 10.977 7.901 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.950 12.333 8.429 1.00 0.00 N ATOM 0 H LYS A 42 -2.540 8.499 5.207 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.509 10.491 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.692 7.648 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.378 8.565 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.216 9.607 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.783 8.504 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.275 10.147 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.543 11.229 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.780 10.989 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.452 10.292 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.900 12.642 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.891 12.318 9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.241 12.994 8.052 1.00 0.00 H new ATOM 677 N ARG A 43 0.298 7.727 6.809 1.00 0.00 N ATOM 678 CA ARG A 43 1.677 7.266 7.016 1.00 0.00 C ATOM 679 C ARG A 43 2.742 7.929 6.125 1.00 0.00 C ATOM 680 O ARG A 43 3.866 8.194 6.541 1.00 0.00 O ATOM 681 CB ARG A 43 1.730 5.736 6.916 1.00 0.00 C ATOM 682 CG ARG A 43 2.996 5.175 7.594 1.00 0.00 C ATOM 683 CD ARG A 43 3.587 3.917 6.945 1.00 0.00 C ATOM 684 NE ARG A 43 2.916 2.691 7.402 1.00 0.00 N ATOM 685 CZ ARG A 43 3.358 1.449 7.254 1.00 0.00 C ATOM 686 NH1 ARG A 43 4.394 1.148 6.517 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.768 0.463 7.863 1.00 0.00 N ATOM 0 H ARG A 43 -0.303 7.031 6.368 1.00 0.00 H new ATOM 0 HA ARG A 43 1.949 7.589 8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.844 5.308 7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.713 5.437 5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.759 5.953 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.761 4.950 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.501 3.994 5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.650 3.856 7.177 1.00 0.00 H new ATOM 0 HE ARG A 43 2.022 2.807 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.901 1.884 6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.696 0.177 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.960 0.642 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.113 -0.489 7.745 1.00 0.00 H new ATOM 701 N VAL A 44 2.438 8.180 4.858 1.00 0.00 N ATOM 702 CA VAL A 44 3.437 8.534 3.848 1.00 0.00 C ATOM 703 C VAL A 44 4.189 9.827 4.139 1.00 0.00 C ATOM 704 O VAL A 44 5.401 9.929 3.943 1.00 0.00 O ATOM 705 CB VAL A 44 2.665 8.589 2.527 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.261 9.467 1.449 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.563 7.144 2.080 1.00 0.00 C ATOM 0 H VAL A 44 1.485 8.144 4.496 1.00 0.00 H new ATOM 0 HA VAL A 44 4.236 7.793 3.827 1.00 0.00 H new ATOM 0 HB VAL A 44 1.699 9.064 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.632 9.429 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.321 10.494 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.261 9.111 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.021 7.093 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.564 6.733 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.031 6.566 2.836 1.00 0.00 H new ATOM 802 N LYS A 50 8.871 5.996 -0.868 1.00 0.00 N ATOM 803 CA LYS A 50 9.721 6.323 -1.998 1.00 0.00 C ATOM 804 C LYS A 50 8.878 6.237 -3.279 1.00 0.00 C ATOM 805 O LYS A 50 7.690 5.928 -3.220 1.00 0.00 O ATOM 806 CB LYS A 50 10.936 5.374 -1.987 1.00 0.00 C ATOM 807 CG LYS A 50 10.669 3.928 -2.433 1.00 0.00 C ATOM 808 CD LYS A 50 11.053 2.906 -1.351 1.00 0.00 C ATOM 809 CE LYS A 50 10.133 3.106 -0.151 1.00 0.00 C ATOM 810 NZ LYS A 50 10.271 2.090 0.911 1.00 0.00 N ATOM 0 HA LYS A 50 10.113 7.338 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.706 5.795 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.344 5.351 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.613 3.815 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.232 3.720 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.957 1.891 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.094 3.038 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.328 4.089 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.100 3.109 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.552 2.255 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.139 1.142 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.219 2.156 1.334 1.00 0.00 H new ATOM 824 N ASP A 51 9.454 6.440 -4.460 1.00 0.00 N ATOM 825 CA ASP A 51 8.658 6.248 -5.682 1.00 0.00 C ATOM 826 C ASP A 51 8.064 4.837 -5.753 1.00 0.00 C ATOM 827 O ASP A 51 6.879 4.658 -5.995 1.00 0.00 O ATOM 828 CB ASP A 51 9.463 6.603 -6.932 1.00 0.00 C ATOM 829 CG ASP A 51 10.704 5.719 -7.190 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.729 5.902 -6.489 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.655 4.870 -8.110 1.00 0.00 O ATOM 0 H ASP A 51 10.423 6.724 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 51 7.816 6.939 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.805 6.539 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.786 7.641 -6.853 1.00 0.00 H new ATOM 836 N THR A 52 8.851 3.843 -5.372 1.00 0.00 N ATOM 837 CA THR A 52 8.559 2.425 -5.568 1.00 0.00 C ATOM 838 C THR A 52 7.273 1.942 -4.911 1.00 0.00 C ATOM 839 O THR A 52 6.525 1.226 -5.576 1.00 0.00 O ATOM 840 CB THR A 52 9.684 1.645 -4.906 1.00 0.00 C ATOM 841 OG1 THR A 52 10.936 2.063 -5.398 1.00 0.00 O ATOM 842 CG2 THR A 52 9.583 0.137 -5.107 1.00 0.00 C ATOM 0 H THR A 52 9.742 4.003 -4.901 1.00 0.00 H new ATOM 0 HA THR A 52 8.457 2.274 -6.643 1.00 0.00 H new ATOM 0 HB THR A 52 9.588 1.854 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.630 1.441 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.418 -0.353 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.645 -0.224 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.613 -0.091 -6.172 1.00 0.00 H new ATOM 850 N ASP A 53 6.989 2.297 -3.642 1.00 0.00 N ATOM 851 CA ASP A 53 5.700 1.941 -3.024 1.00 0.00 C ATOM 852 C ASP A 53 4.593 2.649 -3.773 1.00 0.00 C ATOM 853 O ASP A 53 3.687 1.996 -4.269 1.00 0.00 O ATOM 854 CB ASP A 53 5.542 2.214 -1.498 1.00 0.00 C ATOM 855 CG ASP A 53 6.678 2.903 -0.729 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.411 3.699 -1.353 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.841 2.624 0.482 1.00 0.00 O ATOM 0 H ASP A 53 7.622 2.820 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 53 5.649 0.855 -3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.645 2.819 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.354 1.256 -1.013 1.00 0.00 H new ATOM 862 N ASP A 54 4.745 3.952 -3.959 1.00 0.00 N ATOM 863 CA ASP A 54 3.664 4.884 -4.284 1.00 0.00 C ATOM 864 C ASP A 54 2.960 4.547 -5.591 1.00 0.00 C ATOM 865 O ASP A 54 1.746 4.605 -5.699 1.00 0.00 O ATOM 866 CB ASP A 54 4.339 6.262 -4.425 1.00 0.00 C ATOM 867 CG ASP A 54 3.332 7.428 -4.389 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.825 7.757 -3.290 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.053 8.008 -5.467 1.00 0.00 O ATOM 0 H ASP A 54 5.654 4.410 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 54 2.901 4.845 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.064 6.390 -3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.893 6.296 -5.363 1.00 0.00 H new ATOM 874 N ILE A 55 3.741 4.247 -6.608 1.00 0.00 N ATOM 875 CA ILE A 55 3.261 3.821 -7.930 1.00 0.00 C ATOM 876 C ILE A 55 2.622 2.447 -7.886 1.00 0.00 C ATOM 877 O ILE A 55 1.540 2.241 -8.426 1.00 0.00 O ATOM 878 CB ILE A 55 4.340 3.811 -9.046 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.592 4.662 -8.778 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.681 4.214 -10.376 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.799 3.711 -8.715 1.00 0.00 C ATOM 0 H ILE A 55 4.758 4.290 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 55 2.526 4.584 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 55 4.724 2.791 -9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.728 5.401 -9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.488 5.211 -7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.429 4.211 -11.169 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.891 3.504 -10.620 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.255 5.213 -10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.706 4.286 -8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.652 2.989 -7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.896 3.183 -9.664 1.00 0.00 H new ATOM 893 N SER A 56 3.309 1.511 -7.212 1.00 0.00 N ATOM 894 CA SER A 56 2.859 0.122 -7.220 1.00 0.00 C ATOM 895 C SER A 56 1.514 0.047 -6.539 1.00 0.00 C ATOM 896 O SER A 56 0.549 -0.520 -7.056 1.00 0.00 O ATOM 897 CB SER A 56 3.803 -0.722 -6.350 1.00 0.00 C ATOM 898 OG SER A 56 4.214 -1.901 -7.036 1.00 0.00 O ATOM 0 H SER A 56 4.155 1.689 -6.670 1.00 0.00 H new ATOM 0 HA SER A 56 2.827 -0.233 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.678 -0.131 -6.079 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.301 -0.994 -5.421 1.00 0.00 H new ATOM 0 HG SER A 56 4.079 -2.680 -6.457 1.00 0.00 H new ATOM 904 N VAL A 57 1.500 0.662 -5.358 1.00 0.00 N ATOM 905 CA VAL A 57 0.350 0.741 -4.529 1.00 0.00 C ATOM 906 C VAL A 57 -0.721 1.597 -5.136 1.00 0.00 C ATOM 907 O VAL A 57 -1.798 1.081 -5.289 1.00 0.00 O ATOM 908 CB VAL A 57 0.714 1.310 -3.169 1.00 0.00 C ATOM 909 CG1 VAL A 57 1.535 0.426 -2.258 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.999 2.786 -3.058 1.00 0.00 C ATOM 0 H VAL A 57 2.319 1.123 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.033 -0.274 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.281 1.270 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.727 0.948 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.988 -0.495 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.483 0.187 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.242 3.033 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.841 3.043 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.120 3.351 -3.368 1.00 0.00 H new ATOM 920 N ARG A 58 -0.470 2.786 -5.676 1.00 0.00 N ATOM 921 CA ARG A 58 -1.609 3.577 -6.138 1.00 0.00 C ATOM 922 C ARG A 58 -2.250 2.963 -7.341 1.00 0.00 C ATOM 923 O ARG A 58 -3.464 2.956 -7.460 1.00 0.00 O ATOM 924 CB ARG A 58 -1.246 4.997 -6.519 1.00 0.00 C ATOM 925 CG ARG A 58 -2.383 5.952 -6.189 1.00 0.00 C ATOM 926 CD ARG A 58 -2.572 6.156 -4.677 1.00 0.00 C ATOM 927 NE ARG A 58 -3.506 7.263 -4.360 1.00 0.00 N ATOM 928 CZ ARG A 58 -3.308 8.564 -4.480 1.00 0.00 C ATOM 929 NH1 ARG A 58 -2.217 9.068 -4.993 1.00 0.00 N ATOM 930 NH2 ARG A 58 -4.214 9.395 -4.063 1.00 0.00 N ATOM 0 H ARG A 58 0.451 3.205 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.288 3.593 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.344 5.301 -5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.021 5.046 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.189 6.916 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.309 5.569 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.946 5.233 -4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.604 6.360 -4.219 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.420 6.984 -4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.475 8.450 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.108 10.080 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.075 9.043 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.065 10.400 -4.154 1.00 0.00 H new ATOM 944 N ASP A 59 -1.423 2.406 -8.211 1.00 0.00 N ATOM 945 CA ASP A 59 -1.977 1.836 -9.428 1.00 0.00 C ATOM 946 C ASP A 59 -2.826 0.593 -9.143 1.00 0.00 C ATOM 947 O ASP A 59 -3.701 0.234 -9.927 1.00 0.00 O ATOM 948 CB ASP A 59 -0.834 1.482 -10.370 1.00 0.00 C ATOM 949 CG ASP A 59 -1.287 1.038 -11.775 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.829 1.875 -12.543 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.085 -0.146 -12.132 1.00 0.00 O ATOM 0 H ASP A 59 -0.411 2.337 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.633 2.576 -9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.178 2.347 -10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.243 0.683 -9.922 1.00 0.00 H new ATOM 956 N ALA A 60 -2.458 -0.136 -8.091 1.00 0.00 N ATOM 957 CA ALA A 60 -3.145 -1.239 -7.438 1.00 0.00 C ATOM 958 C ALA A 60 -4.388 -0.883 -6.632 1.00 0.00 C ATOM 959 O ALA A 60 -5.401 -1.554 -6.689 1.00 0.00 O ATOM 960 CB ALA A 60 -2.123 -1.923 -6.538 1.00 0.00 C ATOM 0 H ALA A 60 -1.571 0.058 -7.627 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.531 -1.881 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.594 -2.761 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.293 -2.288 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.751 -1.210 -5.803 1.00 0.00 H new ATOM 966 N LEU A 61 -4.248 0.105 -5.762 1.00 0.00 N ATOM 967 CA LEU A 61 -5.184 0.662 -4.814 1.00 0.00 C ATOM 968 C LEU A 61 -6.269 1.435 -5.535 1.00 0.00 C ATOM 969 O LEU A 61 -7.427 1.051 -5.473 1.00 0.00 O ATOM 970 CB LEU A 61 -4.279 1.550 -3.964 1.00 0.00 C ATOM 971 CG LEU A 61 -4.828 2.043 -2.653 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.722 1.974 -1.605 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.449 3.426 -2.727 1.00 0.00 C ATOM 0 H LEU A 61 -3.355 0.594 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.728 -0.070 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.362 0.998 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.002 2.419 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.654 1.390 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.105 2.329 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.383 0.943 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.886 2.601 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.822 3.711 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.698 4.145 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.274 3.417 -3.439 1.00 0.00 H new ATOM 985 N ALA A 62 -5.873 2.356 -6.418 1.00 0.00 N ATOM 986 CA ALA A 62 -6.771 2.870 -7.450 1.00 0.00 C ATOM 987 C ALA A 62 -7.225 1.784 -8.452 1.00 0.00 C ATOM 988 O ALA A 62 -8.334 1.826 -8.980 1.00 0.00 O ATOM 989 CB ALA A 62 -6.204 4.112 -8.138 1.00 0.00 C ATOM 0 H ALA A 62 -4.936 2.759 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.678 3.187 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.905 4.459 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.050 4.899 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.252 3.865 -8.609 1.00 0.00 H new ATOM 995 N GLY A 63 -6.353 0.794 -8.680 1.00 0.00 N ATOM 996 CA GLY A 63 -6.573 -0.445 -9.409 1.00 0.00 C ATOM 997 C GLY A 63 -7.860 -1.108 -8.956 1.00 0.00 C ATOM 998 O GLY A 63 -8.795 -1.305 -9.721 1.00 0.00 O ATOM 0 H GLY A 63 -5.398 0.852 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.619 -0.241 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.733 -1.121 -9.250 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.872 -1.396 -7.654 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.919 -2.004 -6.870 1.00 0.00 C ATOM 1004 C LYS A 64 -10.114 -1.092 -6.691 1.00 0.00 C ATOM 1005 O LYS A 64 -11.239 -1.556 -6.646 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.307 -2.615 -5.599 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.152 -3.762 -5.013 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.281 -4.994 -4.717 1.00 0.00 C ATOM 1009 CE LYS A 64 -9.044 -6.137 -4.020 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.963 -6.864 -4.928 1.00 0.00 N ATOM 0 H LYS A 64 -7.060 -1.183 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.366 -2.841 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.308 -2.987 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.193 -1.835 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.639 -3.428 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.942 -4.031 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.862 -5.366 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.442 -4.693 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.326 -6.841 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.615 -5.729 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.446 -7.619 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.669 -6.203 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.420 -7.281 -5.711 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.909 0.208 -6.580 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.946 1.183 -6.294 1.00 0.00 C ATOM 1026 C ARG A 65 -12.050 1.068 -7.324 1.00 0.00 C ATOM 1027 O ARG A 65 -13.170 0.754 -6.964 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.334 2.572 -6.235 1.00 0.00 C ATOM 1029 CG ARG A 65 -11.034 3.582 -5.320 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.885 4.377 -4.699 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.341 5.621 -4.061 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.555 6.798 -4.623 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.398 7.019 -5.905 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.943 7.783 -3.868 1.00 0.00 N ATOM 0 H ARG A 65 -8.986 0.628 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.397 0.989 -5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.298 2.476 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.315 2.981 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.709 4.228 -5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.632 3.082 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.377 3.758 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.153 4.615 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.514 5.569 -3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.097 6.263 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.577 7.947 -6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.075 7.637 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.115 8.702 -4.277 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.689 1.057 -8.599 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.653 0.909 -9.689 1.00 0.00 C ATOM 1050 C ALA A 66 -13.448 -0.398 -9.597 1.00 0.00 C ATOM 1051 O ALA A 66 -14.632 -0.451 -9.944 1.00 0.00 O ATOM 1052 CB ALA A 66 -11.948 0.926 -11.030 1.00 0.00 C ATOM 0 H ALA A 66 -10.722 1.150 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.341 1.750 -9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.682 0.815 -11.828 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.420 1.872 -11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.234 0.104 -11.076 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.775 -1.464 -9.148 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.381 -2.783 -8.999 1.00 0.00 C ATOM 1060 C GLU A 67 -14.421 -2.761 -7.903 1.00 0.00 C ATOM 1061 O GLU A 67 -15.507 -3.319 -7.996 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.316 -3.774 -8.536 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.048 -3.743 -9.357 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.213 -4.394 -10.723 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.167 -5.644 -10.789 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.368 -3.666 -11.728 1.00 0.00 O ATOM 0 H GLU A 67 -11.792 -1.431 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.820 -3.062 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.068 -3.565 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.733 -4.781 -8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.731 -2.708 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.254 -4.252 -8.810 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.982 -2.181 -6.801 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.693 -2.046 -5.558 1.00 0.00 C ATOM 1075 C LEU A 68 -15.905 -1.128 -5.588 1.00 0.00 C ATOM 1076 O LEU A 68 -16.851 -1.264 -4.823 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.670 -1.763 -4.515 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.076 -3.073 -4.035 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.022 -2.663 -3.101 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.014 -3.858 -3.122 1.00 0.00 C ATOM 0 H LEU A 68 -13.052 -1.765 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.205 -2.977 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.888 -1.121 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.122 -1.227 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.803 -3.669 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.530 -3.548 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.290 -2.048 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.462 -2.088 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.530 -4.785 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.249 -3.260 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.934 -4.090 -3.659 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.785 -0.115 -6.432 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.733 0.900 -6.827 1.00 0.00 C ATOM 1094 C GLU A 69 -17.787 0.360 -7.784 1.00 0.00 C ATOM 1095 O GLU A 69 -18.939 0.790 -7.775 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.896 1.960 -7.520 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.550 3.197 -6.693 1.00 0.00 C ATOM 1098 CD GLU A 69 -15.183 4.348 -7.621 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -16.102 5.091 -8.029 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.983 4.513 -7.930 1.00 0.00 O ATOM 0 H GLU A 69 -14.899 0.027 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.281 1.282 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.966 1.499 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.427 2.284 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.398 3.477 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.719 2.978 -6.023 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.385 -0.622 -8.600 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.338 -1.566 -9.205 1.00 0.00 C ATOM 1109 C ASP A 70 -18.944 -2.455 -8.126 1.00 0.00 C ATOM 1110 O ASP A 70 -20.087 -2.898 -8.267 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.682 -2.477 -10.250 1.00 0.00 C ATOM 1112 CG ASP A 70 -18.661 -2.944 -11.349 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -19.039 -2.120 -12.218 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -19.036 -4.142 -11.361 1.00 0.00 O ATOM 0 H ASP A 70 -16.411 -0.785 -8.857 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.101 -0.963 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.851 -1.947 -10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.264 -3.350 -9.750 1.00 0.00 H new ATOM 1119 N SER A 71 -18.189 -2.664 -7.041 1.00 0.00 N ATOM 1120 CA SER A 71 -18.623 -3.507 -5.920 1.00 0.00 C ATOM 1121 C SER A 71 -19.324 -2.704 -4.781 1.00 0.00 C ATOM 1122 O SER A 71 -19.343 -3.130 -3.622 1.00 0.00 O ATOM 1123 CB SER A 71 -17.457 -4.363 -5.397 1.00 0.00 C ATOM 1124 OG SER A 71 -17.926 -5.565 -4.803 1.00 0.00 O ATOM 0 H SER A 71 -17.263 -2.255 -6.915 1.00 0.00 H new ATOM 0 HA SER A 71 -19.387 -4.180 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.780 -4.600 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.884 -3.793 -4.666 1.00 0.00 H new ATOM 0 HG SER A 71 -17.164 -6.090 -4.481 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.855 -1.508 -5.099 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.416 -0.496 -4.175 1.00 0.00 C ATOM 1132 C ASP A 72 -21.537 -1.006 -3.238 1.00 0.00 C ATOM 1133 O ASP A 72 -21.849 -0.347 -2.245 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.933 0.692 -5.014 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.544 1.854 -4.198 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.778 2.600 -3.545 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.780 2.061 -4.277 1.00 0.00 O ATOM 0 H ASP A 72 -19.908 -1.200 -6.070 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.606 -0.206 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.108 1.082 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.685 0.324 -5.712 1.00 0.00 H new