USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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: B 40 THR OG1 : rot -108:sc= 0.0504 USER MOD Set 1.2: B 42 SER OG : rot 180:sc= 0.0517 USER MOD Single : A 15 THR OG1 : rot 26:sc= 0.86 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 78:sc= 0.0747 USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0643) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -173:sc= 1.14 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 51 ASN : amide:sc= 1.22 K(o=1.2,f=-0.00041) USER MOD Single : B 15 THR OG1 : rot 21:sc= 0.766 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 128:sc= 1.24 USER MOD Single : B 29 THR OG1 : rot 84:sc= 0.0024 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot -3:sc= 1.06 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 51 ASN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.339 0.069 -4.002 1.00 0.00 N ATOM 235 CA THR A 15 11.973 0.268 -3.614 1.00 0.00 C ATOM 236 C THR A 15 11.111 -0.748 -4.340 1.00 0.00 C ATOM 237 O THR A 15 11.428 -1.206 -5.437 1.00 0.00 O ATOM 238 CB THR A 15 11.556 1.708 -3.954 1.00 0.00 C ATOM 239 OG1 THR A 15 10.338 2.072 -3.339 1.00 0.00 O ATOM 240 CG2 THR A 15 11.369 1.944 -5.455 1.00 0.00 C ATOM 0 HA THR A 15 11.848 0.126 -2.541 1.00 0.00 H new ATOM 0 HB THR A 15 12.381 2.315 -3.580 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.207 1.535 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.075 2.979 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.306 1.742 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.593 1.279 -5.834 1.00 0.00 H new ATOM 248 N VAL A 16 9.973 -1.015 -3.732 1.00 0.00 N ATOM 249 CA VAL A 16 8.972 -1.923 -4.247 1.00 0.00 C ATOM 250 C VAL A 16 7.882 -1.026 -4.793 1.00 0.00 C ATOM 251 O VAL A 16 7.521 -0.071 -4.105 1.00 0.00 O ATOM 252 CB VAL A 16 8.380 -2.780 -3.124 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.746 -4.033 -3.731 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.395 -3.159 -2.056 1.00 0.00 C ATOM 0 H VAL A 16 9.713 -0.593 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 16 9.395 -2.598 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 16 7.624 -2.179 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.323 -4.648 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.957 -3.742 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.506 -4.603 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.909 -3.765 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.206 -3.729 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.798 -2.255 -1.600 1.00 0.00 H new ATOM 264 N VAL A 17 7.367 -1.290 -5.985 1.00 0.00 N ATOM 265 CA VAL A 17 6.308 -0.501 -6.583 1.00 0.00 C ATOM 266 C VAL A 17 5.213 -1.484 -6.977 1.00 0.00 C ATOM 267 O VAL A 17 5.403 -2.356 -7.833 1.00 0.00 O ATOM 268 CB VAL A 17 6.861 0.427 -7.684 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.367 -0.297 -8.932 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.810 1.467 -8.078 1.00 0.00 C ATOM 0 H VAL A 17 7.678 -2.067 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 17 5.856 0.217 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 17 7.734 0.910 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.737 0.433 -9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.174 -0.976 -8.657 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.551 -0.865 -9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.213 2.115 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.920 0.961 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.547 2.066 -7.207 1.00 0.00 H new ATOM 280 N ARG A 18 4.083 -1.393 -6.277 1.00 0.00 N ATOM 281 CA ARG A 18 2.933 -2.253 -6.512 1.00 0.00 C ATOM 282 C ARG A 18 1.663 -1.433 -6.357 1.00 0.00 C ATOM 283 O ARG A 18 1.667 -0.371 -5.731 1.00 0.00 O ATOM 284 CB ARG A 18 3.008 -3.426 -5.521 1.00 0.00 C ATOM 285 CG ARG A 18 1.914 -4.487 -5.696 1.00 0.00 C ATOM 286 CD ARG A 18 2.037 -5.593 -4.650 1.00 0.00 C ATOM 287 NE ARG A 18 3.238 -6.420 -4.850 1.00 0.00 N ATOM 288 CZ ARG A 18 3.359 -7.483 -5.650 1.00 0.00 C ATOM 289 NH1 ARG A 18 2.331 -7.908 -6.380 1.00 0.00 N ATOM 290 NH2 ARG A 18 4.529 -8.097 -5.704 1.00 0.00 N ATOM 0 H ARG A 18 3.943 -0.715 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 18 2.929 -2.662 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.981 -3.907 -5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.952 -3.031 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.934 -4.017 -5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.981 -4.919 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.067 -5.148 -3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.151 -6.227 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 18 4.068 -6.153 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.436 -7.421 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.438 -8.721 -6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.310 -7.756 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.650 -8.911 -6.306 1.00 0.00 H new ATOM 304 N THR A 19 0.592 -1.921 -6.970 1.00 0.00 N ATOM 305 CA THR A 19 -0.725 -1.320 -6.933 1.00 0.00 C ATOM 306 C THR A 19 -1.450 -2.053 -5.816 1.00 0.00 C ATOM 307 O THR A 19 -1.697 -3.259 -5.928 1.00 0.00 O ATOM 308 CB THR A 19 -1.423 -1.511 -8.279 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.594 -1.001 -9.308 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.785 -0.818 -8.343 1.00 0.00 C ATOM 0 H THR A 19 0.623 -2.776 -7.525 1.00 0.00 H new ATOM 0 HA THR A 19 -0.700 -0.245 -6.753 1.00 0.00 H new ATOM 0 HB THR A 19 -1.596 -2.580 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.036 -1.122 -10.174 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.234 -0.988 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.437 -1.224 -7.569 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.656 0.253 -8.184 1.00 0.00 H new ATOM 318 N LEU A 20 -1.703 -1.365 -4.710 1.00 0.00 N ATOM 319 CA LEU A 20 -2.391 -1.929 -3.559 1.00 0.00 C ATOM 320 C LEU A 20 -3.815 -1.373 -3.578 1.00 0.00 C ATOM 321 O LEU A 20 -4.039 -0.245 -4.034 1.00 0.00 O ATOM 322 CB LEU A 20 -1.589 -1.595 -2.286 1.00 0.00 C ATOM 323 CG LEU A 20 -1.824 -2.564 -1.111 1.00 0.00 C ATOM 324 CD1 LEU A 20 -1.367 -3.998 -1.421 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.004 -2.107 0.101 1.00 0.00 C ATOM 0 H LEU A 20 -1.433 -0.389 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.461 -3.016 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.527 -1.592 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.845 -0.585 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.897 -2.557 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.557 -4.635 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.919 -4.378 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.300 -4.000 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.170 -2.792 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.055 -2.100 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.313 -1.103 0.392 1.00 0.00 H new ATOM 337 N ARG A 21 -4.789 -2.174 -3.140 1.00 0.00 N ATOM 338 CA ARG A 21 -6.190 -1.790 -3.107 1.00 0.00 C ATOM 339 C ARG A 21 -6.769 -2.026 -1.722 1.00 0.00 C ATOM 340 O ARG A 21 -6.203 -2.787 -0.939 1.00 0.00 O ATOM 341 CB ARG A 21 -6.931 -2.579 -4.186 1.00 0.00 C ATOM 342 CG ARG A 21 -6.348 -2.310 -5.586 1.00 0.00 C ATOM 343 CD ARG A 21 -7.453 -2.578 -6.593 1.00 0.00 C ATOM 344 NE ARG A 21 -7.017 -2.426 -7.993 1.00 0.00 N ATOM 345 CZ ARG A 21 -7.672 -1.760 -8.955 1.00 0.00 C ATOM 346 NH1 ARG A 21 -8.860 -1.230 -8.711 1.00 0.00 N ATOM 347 NH2 ARG A 21 -7.114 -1.611 -10.149 1.00 0.00 N ATOM 0 H ARG A 21 -4.618 -3.119 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.302 -0.726 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.870 -3.645 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.987 -2.310 -4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.997 -1.281 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.490 -2.955 -5.776 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.832 -3.589 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.282 -1.896 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.136 -2.868 -8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.282 -1.327 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.354 -0.724 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.190 -2.002 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.609 -1.105 -10.884 1.00 0.00 H new ATOM 361 N PHE A 22 -7.897 -1.384 -1.425 1.00 0.00 N ATOM 362 CA PHE A 22 -8.585 -1.477 -0.135 1.00 0.00 C ATOM 363 C PHE A 22 -10.076 -1.298 -0.361 1.00 0.00 C ATOM 364 O PHE A 22 -10.443 -0.771 -1.413 1.00 0.00 O ATOM 365 CB PHE A 22 -8.089 -0.349 0.785 1.00 0.00 C ATOM 366 CG PHE A 22 -6.620 -0.440 1.136 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.652 0.132 0.289 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.215 -1.145 2.282 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.287 -0.048 0.561 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.851 -1.267 2.584 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.885 -0.734 1.719 1.00 0.00 C ATOM 0 H PHE A 22 -8.370 -0.770 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.384 -2.446 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.277 0.609 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.673 -0.362 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.960 0.709 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.954 -1.593 2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.545 0.341 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.543 -1.774 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.835 -0.850 1.942 1.00 0.00 H new ATOM 381 N SER A 23 -10.930 -1.751 0.560 1.00 0.00 N ATOM 382 CA SER A 23 -12.376 -1.580 0.412 1.00 0.00 C ATOM 383 C SER A 23 -12.761 -0.187 0.950 1.00 0.00 C ATOM 384 O SER A 23 -11.920 0.470 1.574 1.00 0.00 O ATOM 385 CB SER A 23 -13.111 -2.758 1.075 1.00 0.00 C ATOM 386 OG SER A 23 -13.499 -3.691 0.083 1.00 0.00 O ATOM 0 H SER A 23 -10.647 -2.236 1.411 1.00 0.00 H new ATOM 0 HA SER A 23 -12.685 -1.605 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.463 -3.239 1.808 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.988 -2.397 1.613 1.00 0.00 H new ATOM 0 HG SER A 23 -13.966 -4.442 0.505 1.00 0.00 H new ATOM 392 N PRO A 24 -14.005 0.291 0.738 1.00 0.00 N ATOM 393 CA PRO A 24 -14.417 1.614 1.203 1.00 0.00 C ATOM 394 C PRO A 24 -14.335 1.732 2.723 1.00 0.00 C ATOM 395 O PRO A 24 -14.042 2.816 3.225 1.00 0.00 O ATOM 396 CB PRO A 24 -15.847 1.817 0.687 1.00 0.00 C ATOM 397 CG PRO A 24 -16.359 0.387 0.532 1.00 0.00 C ATOM 398 CD PRO A 24 -15.113 -0.350 0.041 1.00 0.00 C ATOM 0 HA PRO A 24 -13.752 2.389 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.453 2.389 1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.862 2.357 -0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.727 -0.018 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.178 0.323 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.165 -1.414 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.003 -0.265 -1.040 1.00 0.00 H new ATOM 406 N VAL A 25 -14.583 0.626 3.429 1.00 0.00 N ATOM 407 CA VAL A 25 -14.550 0.515 4.875 1.00 0.00 C ATOM 408 C VAL A 25 -13.109 0.720 5.345 1.00 0.00 C ATOM 409 O VAL A 25 -12.842 1.660 6.087 1.00 0.00 O ATOM 410 CB VAL A 25 -15.120 -0.860 5.274 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.020 -1.095 6.780 1.00 0.00 C ATOM 412 CG2 VAL A 25 -16.588 -1.021 4.849 1.00 0.00 C ATOM 0 H VAL A 25 -14.824 -0.256 2.977 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.164 1.277 5.356 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.514 -1.598 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.432 -2.074 7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.975 -1.054 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.582 -0.324 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.948 -2.005 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.192 -0.251 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.666 -0.922 3.766 1.00 0.00 H new ATOM 422 N GLU A 26 -12.168 -0.105 4.873 1.00 0.00 N ATOM 423 CA GLU A 26 -10.768 0.005 5.265 1.00 0.00 C ATOM 424 C GLU A 26 -10.216 1.391 4.968 1.00 0.00 C ATOM 425 O GLU A 26 -9.388 1.907 5.715 1.00 0.00 O ATOM 426 CB GLU A 26 -9.891 -1.004 4.511 1.00 0.00 C ATOM 427 CG GLU A 26 -10.091 -2.458 4.928 1.00 0.00 C ATOM 428 CD GLU A 26 -11.101 -3.156 4.036 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.322 -2.957 4.231 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.664 -3.923 3.146 1.00 0.00 O ATOM 0 H GLU A 26 -12.358 -0.860 4.214 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.739 -0.195 6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.094 -0.915 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.844 -0.738 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.138 -2.985 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.429 -2.498 5.964 1.00 0.00 H new ATOM 437 N ASP A 27 -10.589 1.956 3.825 1.00 0.00 N ATOM 438 CA ASP A 27 -10.160 3.276 3.393 1.00 0.00 C ATOM 439 C ASP A 27 -10.700 4.349 4.312 1.00 0.00 C ATOM 440 O ASP A 27 -9.970 5.272 4.642 1.00 0.00 O ATOM 441 CB ASP A 27 -10.665 3.512 1.983 1.00 0.00 C ATOM 442 CG ASP A 27 -10.285 4.910 1.509 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.073 5.163 1.324 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.219 5.705 1.233 1.00 0.00 O ATOM 0 H ASP A 27 -11.212 1.497 3.160 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.071 3.323 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.244 2.766 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.748 3.393 1.953 1.00 0.00 H new ATOM 449 N GLU A 28 -11.966 4.242 4.708 1.00 0.00 N ATOM 450 CA GLU A 28 -12.607 5.188 5.597 1.00 0.00 C ATOM 451 C GLU A 28 -11.832 5.188 6.914 1.00 0.00 C ATOM 452 O GLU A 28 -11.395 6.242 7.369 1.00 0.00 O ATOM 453 CB GLU A 28 -14.082 4.780 5.768 1.00 0.00 C ATOM 454 CG GLU A 28 -14.931 5.753 6.583 1.00 0.00 C ATOM 455 CD GLU A 28 -16.282 5.129 6.957 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.980 4.560 6.078 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.649 5.226 8.152 1.00 0.00 O ATOM 0 H GLU A 28 -12.578 3.482 4.412 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.598 6.203 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.530 4.670 4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.119 3.801 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.395 6.037 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.095 6.666 6.010 1.00 0.00 H new ATOM 464 N THR A 29 -11.623 4.012 7.511 1.00 0.00 N ATOM 465 CA THR A 29 -10.917 3.879 8.772 1.00 0.00 C ATOM 466 C THR A 29 -9.530 4.499 8.665 1.00 0.00 C ATOM 467 O THR A 29 -9.203 5.402 9.434 1.00 0.00 O ATOM 468 CB THR A 29 -10.845 2.391 9.163 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.130 1.808 9.213 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.181 2.165 10.521 1.00 0.00 C ATOM 0 H THR A 29 -11.944 3.124 7.124 1.00 0.00 H new ATOM 0 HA THR A 29 -11.455 4.413 9.555 1.00 0.00 H new ATOM 0 HB THR A 29 -10.240 1.922 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.438 1.615 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.159 1.098 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.162 2.551 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.748 2.684 11.294 1.00 0.00 H new ATOM 478 N ILE A 30 -8.733 4.037 7.701 1.00 0.00 N ATOM 479 CA ILE A 30 -7.380 4.515 7.505 1.00 0.00 C ATOM 480 C ILE A 30 -7.326 6.016 7.243 1.00 0.00 C ATOM 481 O ILE A 30 -6.468 6.697 7.797 1.00 0.00 O ATOM 482 CB ILE A 30 -6.651 3.635 6.476 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.399 2.272 7.171 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.340 4.316 6.019 1.00 0.00 C ATOM 485 CD1 ILE A 30 -5.584 1.258 6.377 1.00 0.00 C ATOM 0 H ILE A 30 -9.017 3.318 7.036 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.821 4.407 8.434 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.241 3.488 5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.890 2.457 8.117 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.364 1.825 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.835 3.681 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.570 5.279 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.690 4.468 6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.472 0.344 6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.097 1.031 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.600 1.673 6.159 1.00 0.00 H new ATOM 497 N ARG A 31 -8.214 6.549 6.411 1.00 0.00 N ATOM 498 CA ARG A 31 -8.245 7.972 6.106 1.00 0.00 C ATOM 499 C ARG A 31 -8.454 8.771 7.388 1.00 0.00 C ATOM 500 O ARG A 31 -7.758 9.761 7.604 1.00 0.00 O ATOM 501 CB ARG A 31 -9.339 8.232 5.064 1.00 0.00 C ATOM 502 CG ARG A 31 -9.506 9.712 4.720 1.00 0.00 C ATOM 503 CD ARG A 31 -10.540 9.857 3.605 1.00 0.00 C ATOM 504 NE ARG A 31 -10.866 11.276 3.394 1.00 0.00 N ATOM 505 CZ ARG A 31 -12.062 11.870 3.433 1.00 0.00 C ATOM 506 NH1 ARG A 31 -13.177 11.142 3.513 1.00 0.00 N ATOM 507 NH2 ARG A 31 -12.115 13.198 3.385 1.00 0.00 N ATOM 0 H ARG A 31 -8.931 6.006 5.930 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.295 8.297 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.104 7.679 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.287 7.844 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.824 10.269 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.552 10.134 4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.153 9.424 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.443 9.304 3.863 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.075 11.887 3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.120 10.124 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.086 11.603 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.254 13.741 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.017 13.674 3.413 1.00 0.00 H new ATOM 521 N LYS A 32 -9.416 8.368 8.220 1.00 0.00 N ATOM 522 CA LYS A 32 -9.707 9.059 9.469 1.00 0.00 C ATOM 523 C LYS A 32 -8.535 8.913 10.440 1.00 0.00 C ATOM 524 O LYS A 32 -8.200 9.874 11.134 1.00 0.00 O ATOM 525 CB LYS A 32 -11.015 8.556 10.108 1.00 0.00 C ATOM 526 CG LYS A 32 -12.289 9.258 9.593 1.00 0.00 C ATOM 527 CD LYS A 32 -12.769 8.763 8.229 1.00 0.00 C ATOM 528 CE LYS A 32 -14.067 9.416 7.738 1.00 0.00 C ATOM 529 NZ LYS A 32 -15.208 9.119 8.630 1.00 0.00 N ATOM 0 H LYS A 32 -10.010 7.558 8.045 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.845 10.116 9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.106 7.485 9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.952 8.690 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.088 9.116 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.100 10.330 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.985 8.944 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.916 7.684 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.928 10.495 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.292 9.063 6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.086 9.477 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.284 8.091 8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.058 9.580 9.550 1.00 0.00 H new ATOM 543 N LYS A 33 -7.912 7.732 10.532 1.00 0.00 N ATOM 544 CA LYS A 33 -6.794 7.496 11.440 1.00 0.00 C ATOM 545 C LYS A 33 -5.582 8.347 11.055 1.00 0.00 C ATOM 546 O LYS A 33 -4.923 8.942 11.912 1.00 0.00 O ATOM 547 CB LYS A 33 -6.452 5.990 11.457 1.00 0.00 C ATOM 548 CG LYS A 33 -6.301 5.458 12.883 1.00 0.00 C ATOM 549 CD LYS A 33 -7.613 5.112 13.592 1.00 0.00 C ATOM 550 CE LYS A 33 -7.240 4.811 15.048 1.00 0.00 C ATOM 551 NZ LYS A 33 -8.248 4.004 15.758 1.00 0.00 N ATOM 0 H LYS A 33 -8.172 6.916 9.977 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.083 7.796 12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.235 5.434 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.527 5.821 10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.675 4.566 12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.771 6.202 13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.318 5.941 13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.093 4.251 13.126 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.285 4.286 15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.098 5.752 15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.934 3.837 16.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.155 4.512 15.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.367 3.092 15.273 1.00 0.00 H new ATOM 565 N ALA A 34 -5.275 8.397 9.762 1.00 0.00 N ATOM 566 CA ALA A 34 -4.160 9.149 9.212 1.00 0.00 C ATOM 567 C ALA A 34 -4.314 10.649 9.491 1.00 0.00 C ATOM 568 O ALA A 34 -3.421 11.271 10.067 1.00 0.00 O ATOM 569 CB ALA A 34 -4.066 8.839 7.715 1.00 0.00 C ATOM 0 H ALA A 34 -5.812 7.900 9.051 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.229 8.851 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.234 9.394 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.903 7.771 7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.994 9.132 7.224 1.00 0.00 H new ATOM 575 N GLU A 35 -5.461 11.221 9.123 1.00 0.00 N ATOM 576 CA GLU A 35 -5.720 12.652 9.272 1.00 0.00 C ATOM 577 C GLU A 35 -5.768 13.112 10.728 1.00 0.00 C ATOM 578 O GLU A 35 -5.303 14.210 11.043 1.00 0.00 O ATOM 579 CB GLU A 35 -6.991 13.031 8.494 1.00 0.00 C ATOM 580 CG GLU A 35 -6.974 14.486 8.002 1.00 0.00 C ATOM 581 CD GLU A 35 -6.005 14.698 6.832 1.00 0.00 C ATOM 582 OE1 GLU A 35 -4.812 15.011 7.046 1.00 0.00 O ATOM 583 OE2 GLU A 35 -6.441 14.602 5.657 1.00 0.00 O ATOM 0 H GLU A 35 -6.238 10.703 8.712 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.874 13.188 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.101 12.364 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.862 12.878 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.979 14.774 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.693 15.142 8.826 1.00 0.00 H new ATOM 590 N ASP A 36 -6.301 12.283 11.626 1.00 0.00 N ATOM 591 CA ASP A 36 -6.377 12.620 13.046 1.00 0.00 C ATOM 592 C ASP A 36 -4.983 12.661 13.642 1.00 0.00 C ATOM 593 O ASP A 36 -4.665 13.545 14.436 1.00 0.00 O ATOM 594 CB ASP A 36 -7.196 11.563 13.784 1.00 0.00 C ATOM 595 CG ASP A 36 -7.334 11.798 15.298 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.804 12.884 15.710 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.094 10.829 16.066 1.00 0.00 O ATOM 0 H ASP A 36 -6.688 11.369 11.392 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.851 13.596 13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.192 11.523 13.344 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.736 10.588 13.622 1.00 0.00 H new ATOM 602 N SER A 37 -4.151 11.699 13.239 1.00 0.00 N ATOM 603 CA SER A 37 -2.789 11.601 13.734 1.00 0.00 C ATOM 604 C SER A 37 -1.880 12.651 13.097 1.00 0.00 C ATOM 605 O SER A 37 -0.788 12.906 13.608 1.00 0.00 O ATOM 606 CB SER A 37 -2.302 10.177 13.466 1.00 0.00 C ATOM 607 OG SER A 37 -1.106 9.860 14.148 1.00 0.00 O ATOM 0 H SER A 37 -4.405 10.975 12.567 1.00 0.00 H new ATOM 0 HA SER A 37 -2.761 11.804 14.805 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.079 9.472 13.762 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.147 10.049 12.395 1.00 0.00 H new ATOM 0 HG SER A 37 -0.845 8.939 13.940 1.00 0.00 H new ATOM 613 N GLY A 38 -2.324 13.297 12.015 1.00 0.00 N ATOM 614 CA GLY A 38 -1.525 14.289 11.331 1.00 0.00 C ATOM 615 C GLY A 38 -0.391 13.587 10.590 1.00 0.00 C ATOM 616 O GLY A 38 0.746 14.056 10.637 1.00 0.00 O ATOM 0 H GLY A 38 -3.242 13.141 11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.142 14.851 10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.121 15.006 12.046 1.00 0.00 H new ATOM 620 N LEU A 39 -0.661 12.430 9.974 1.00 0.00 N ATOM 621 CA LEU A 39 0.257 11.617 9.204 1.00 0.00 C ATOM 622 C LEU A 39 -0.488 11.399 7.898 1.00 0.00 C ATOM 623 O LEU A 39 -1.703 11.188 7.902 1.00 0.00 O ATOM 624 CB LEU A 39 0.507 10.241 9.857 1.00 0.00 C ATOM 625 CG LEU A 39 1.072 10.240 11.287 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.238 8.793 11.767 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.421 10.953 11.396 1.00 0.00 C ATOM 0 H LEU A 39 -1.594 12.019 10.010 1.00 0.00 H new ATOM 0 HA LEU A 39 1.231 12.096 9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.435 9.693 9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.194 9.684 9.221 1.00 0.00 H new ATOM 0 HG LEU A 39 0.362 10.784 11.910 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.639 8.790 12.781 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.269 8.293 11.758 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.924 8.266 11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.768 10.919 12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.148 10.457 10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.310 11.992 11.085 1.00 0.00 H new ATOM 639 N THR A 40 0.177 11.499 6.763 1.00 0.00 N ATOM 640 CA THR A 40 -0.505 11.257 5.507 1.00 0.00 C ATOM 641 C THR A 40 -0.785 9.750 5.460 1.00 0.00 C ATOM 642 O THR A 40 -0.062 8.951 6.058 1.00 0.00 O ATOM 643 CB THR A 40 0.371 11.798 4.382 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.328 11.959 3.172 1.00 0.00 O ATOM 645 CG2 THR A 40 1.625 10.956 4.198 1.00 0.00 C ATOM 0 H THR A 40 1.165 11.740 6.684 1.00 0.00 H new ATOM 0 HA THR A 40 -1.461 11.768 5.398 1.00 0.00 H new ATOM 0 HB THR A 40 0.682 12.797 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.279 12.309 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.226 11.370 3.388 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.206 10.962 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.343 9.932 3.953 1.00 0.00 H new ATOM 653 N VAL A 41 -1.791 9.329 4.704 1.00 0.00 N ATOM 654 CA VAL A 41 -2.166 7.915 4.581 1.00 0.00 C ATOM 655 C VAL A 41 -0.970 7.035 4.194 1.00 0.00 C ATOM 656 O VAL A 41 -0.839 5.936 4.734 1.00 0.00 O ATOM 657 CB VAL A 41 -3.367 7.728 3.629 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.652 6.248 3.334 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.647 8.316 4.235 1.00 0.00 C ATOM 0 H VAL A 41 -2.376 9.957 4.154 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.488 7.578 5.566 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.095 8.244 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.505 6.169 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.778 5.795 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.876 5.728 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.477 8.171 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.867 7.814 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.508 9.382 4.416 1.00 0.00 H new ATOM 669 N SER A 42 -0.098 7.474 3.280 1.00 0.00 N ATOM 670 CA SER A 42 1.051 6.647 2.893 1.00 0.00 C ATOM 671 C SER A 42 1.972 6.392 4.094 1.00 0.00 C ATOM 672 O SER A 42 2.370 5.248 4.337 1.00 0.00 O ATOM 673 CB SER A 42 1.794 7.235 1.687 1.00 0.00 C ATOM 674 OG SER A 42 2.227 8.561 1.936 1.00 0.00 O ATOM 0 H SER A 42 -0.161 8.374 2.804 1.00 0.00 H new ATOM 0 HA SER A 42 0.676 5.676 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.654 6.610 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.140 7.223 0.815 1.00 0.00 H new ATOM 0 HG SER A 42 2.698 8.905 1.148 1.00 0.00 H new ATOM 680 N ALA A 43 2.293 7.447 4.851 1.00 0.00 N ATOM 681 CA ALA A 43 3.124 7.346 6.035 1.00 0.00 C ATOM 682 C ALA A 43 2.395 6.488 7.056 1.00 0.00 C ATOM 683 O ALA A 43 3.018 5.611 7.630 1.00 0.00 O ATOM 684 CB ALA A 43 3.421 8.710 6.658 1.00 0.00 C ATOM 0 H ALA A 43 1.977 8.396 4.650 1.00 0.00 H new ATOM 0 HA ALA A 43 4.077 6.905 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.046 8.578 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.943 9.335 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.486 9.191 6.944 1.00 0.00 H new ATOM 690 N TYR A 44 1.094 6.710 7.271 1.00 0.00 N ATOM 691 CA TYR A 44 0.293 5.960 8.221 1.00 0.00 C ATOM 692 C TYR A 44 0.408 4.454 7.930 1.00 0.00 C ATOM 693 O TYR A 44 0.710 3.681 8.832 1.00 0.00 O ATOM 694 CB TYR A 44 -1.152 6.468 8.193 1.00 0.00 C ATOM 695 CG TYR A 44 -2.015 5.684 9.146 1.00 0.00 C ATOM 696 CD1 TYR A 44 -1.968 5.955 10.526 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.735 4.577 8.664 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.579 5.062 11.424 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.398 3.725 9.558 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.268 3.928 10.948 1.00 0.00 C ATOM 701 OH TYR A 44 -3.775 3.028 11.831 1.00 0.00 O ATOM 0 H TYR A 44 0.567 7.430 6.777 1.00 0.00 H new ATOM 0 HA TYR A 44 0.665 6.114 9.234 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.176 7.525 8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.551 6.385 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.468 6.840 10.892 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.777 4.383 7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.520 5.246 12.487 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.007 2.915 9.184 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.122 2.252 11.344 1.00 0.00 H new ATOM 711 N ILE A 45 0.233 4.046 6.668 1.00 0.00 N ATOM 712 CA ILE A 45 0.314 2.657 6.215 1.00 0.00 C ATOM 713 C ILE A 45 1.668 2.042 6.580 1.00 0.00 C ATOM 714 O ILE A 45 1.722 1.090 7.353 1.00 0.00 O ATOM 715 CB ILE A 45 0.039 2.588 4.691 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.457 2.800 4.367 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.578 1.301 4.034 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.328 1.551 4.518 1.00 0.00 C ATOM 0 H ILE A 45 0.024 4.697 5.911 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.449 2.068 6.724 1.00 0.00 H new ATOM 0 HB ILE A 45 0.597 3.414 4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.849 3.580 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.545 3.166 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.353 1.315 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.657 1.244 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.105 0.433 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.361 1.796 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.968 0.773 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.277 1.194 5.547 1.00 0.00 H new ATOM 730 N ARG A 46 2.764 2.545 5.999 1.00 0.00 N ATOM 731 CA ARG A 46 4.104 2.023 6.251 1.00 0.00 C ATOM 732 C ARG A 46 4.430 2.087 7.743 1.00 0.00 C ATOM 733 O ARG A 46 5.013 1.148 8.260 1.00 0.00 O ATOM 734 CB ARG A 46 5.147 2.712 5.343 1.00 0.00 C ATOM 735 CG ARG A 46 5.504 4.133 5.800 1.00 0.00 C ATOM 736 CD ARG A 46 6.290 4.963 4.781 1.00 0.00 C ATOM 737 NE ARG A 46 6.912 6.104 5.475 1.00 0.00 N ATOM 738 CZ ARG A 46 6.854 7.400 5.159 1.00 0.00 C ATOM 739 NH1 ARG A 46 6.403 7.785 3.970 1.00 0.00 N ATOM 740 NH2 ARG A 46 7.229 8.291 6.071 1.00 0.00 N ATOM 0 H ARG A 46 2.742 3.325 5.342 1.00 0.00 H new ATOM 0 HA ARG A 46 4.141 0.967 5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.053 2.107 5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.762 2.751 4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.583 4.662 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.086 4.067 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.054 4.349 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.627 5.317 3.992 1.00 0.00 H new ATOM 0 HE ARG A 46 7.458 5.874 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.098 7.088 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.362 8.777 3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.551 7.979 6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.194 9.287 5.855 1.00 0.00 H new ATOM 754 N ASN A 47 4.046 3.157 8.437 1.00 0.00 N ATOM 755 CA ASN A 47 4.284 3.333 9.860 1.00 0.00 C ATOM 756 C ASN A 47 3.646 2.183 10.622 1.00 0.00 C ATOM 757 O ASN A 47 4.357 1.478 11.331 1.00 0.00 O ATOM 758 CB ASN A 47 3.744 4.695 10.320 1.00 0.00 C ATOM 759 CG ASN A 47 3.825 4.877 11.820 1.00 0.00 C ATOM 760 OD1 ASN A 47 4.865 5.267 12.341 1.00 0.00 O ATOM 761 ND2 ASN A 47 2.731 4.662 12.527 1.00 0.00 N ATOM 0 H ASN A 47 3.550 3.940 8.012 1.00 0.00 H new ATOM 0 HA ASN A 47 5.355 3.322 10.064 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.308 5.489 9.830 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.707 4.797 10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.736 4.820 13.535 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.881 4.338 12.066 1.00 0.00 H new ATOM 768 N ALA A 48 2.341 1.975 10.458 1.00 0.00 N ATOM 769 CA ALA A 48 1.621 0.907 11.139 1.00 0.00 C ATOM 770 C ALA A 48 2.192 -0.466 10.771 1.00 0.00 C ATOM 771 O ALA A 48 2.249 -1.375 11.593 1.00 0.00 O ATOM 772 CB ALA A 48 0.141 1.000 10.768 1.00 0.00 C ATOM 0 H ALA A 48 1.755 2.544 9.848 1.00 0.00 H new ATOM 0 HA ALA A 48 1.736 1.023 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.411 0.206 11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.252 1.968 11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.029 0.892 9.689 1.00 0.00 H new ATOM 778 N ALA A 49 2.656 -0.624 9.530 1.00 0.00 N ATOM 779 CA ALA A 49 3.219 -1.874 9.057 1.00 0.00 C ATOM 780 C ALA A 49 4.553 -2.232 9.734 1.00 0.00 C ATOM 781 O ALA A 49 4.894 -3.415 9.800 1.00 0.00 O ATOM 782 CB ALA A 49 3.412 -1.800 7.543 1.00 0.00 C ATOM 0 H ALA A 49 2.648 0.117 8.829 1.00 0.00 H new ATOM 0 HA ALA A 49 2.514 -2.663 9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.835 -2.738 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.449 -1.628 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.089 -0.981 7.302 1.00 0.00 H new ATOM 788 N LEU A 50 5.327 -1.255 10.210 1.00 0.00 N ATOM 789 CA LEU A 50 6.629 -1.492 10.846 1.00 0.00 C ATOM 790 C LEU A 50 6.541 -1.442 12.367 1.00 0.00 C ATOM 791 O LEU A 50 7.348 -2.096 13.032 1.00 0.00 O ATOM 792 CB LEU A 50 7.639 -0.429 10.398 1.00 0.00 C ATOM 793 CG LEU A 50 7.771 -0.263 8.872 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.172 1.185 8.585 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.733 -1.265 8.231 1.00 0.00 C ATOM 0 H LEU A 50 5.068 -0.269 10.166 1.00 0.00 H new ATOM 0 HA LEU A 50 6.950 -2.488 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.351 0.530 10.830 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.617 -0.682 10.807 1.00 0.00 H new ATOM 0 HG LEU A 50 6.807 -0.483 8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.272 1.328 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.406 1.858 8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.124 1.402 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.777 -1.090 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.727 -1.140 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.381 -2.279 8.420 1.00 0.00 H new ATOM 807 N ASN A 51 5.628 -0.618 12.889 1.00 0.00 N ATOM 808 CA ASN A 51 5.389 -0.440 14.319 1.00 0.00 C ATOM 809 C ASN A 51 4.520 -1.585 14.798 1.00 0.00 C ATOM 810 O ASN A 51 5.050 -2.709 14.904 1.00 0.00 O ATOM 811 CB ASN A 51 4.770 0.926 14.657 1.00 0.00 C ATOM 812 CG ASN A 51 5.786 2.045 14.537 1.00 0.00 C ATOM 813 OD1 ASN A 51 6.472 2.394 15.495 1.00 0.00 O ATOM 814 ND2 ASN A 51 5.936 2.593 13.349 1.00 0.00 N ATOM 0 H ASN A 51 5.019 -0.041 12.309 1.00 0.00 H new ATOM 0 HA ASN A 51 6.346 -0.453 14.841 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.932 1.122 13.988 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.370 0.904 15.671 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.634 3.324 13.209 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.355 2.287 12.569 1.00 0.00 H new ATOM 1055 N THR B 15 -13.553 0.467 -4.199 1.00 0.00 N ATOM 1056 CA THR B 15 -12.202 0.084 -3.893 1.00 0.00 C ATOM 1057 C THR B 15 -11.319 1.276 -4.209 1.00 0.00 C ATOM 1058 O THR B 15 -11.612 2.111 -5.074 1.00 0.00 O ATOM 1059 CB THR B 15 -11.745 -1.148 -4.699 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.576 -1.726 -4.143 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.387 -0.867 -6.162 1.00 0.00 C ATOM 0 HA THR B 15 -12.134 -0.198 -2.842 1.00 0.00 H new ATOM 0 HB THR B 15 -12.614 -1.804 -4.654 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.486 -1.447 -3.208 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.078 -1.794 -6.645 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.257 -0.461 -6.678 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.571 -0.146 -6.205 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.198 1.303 -3.522 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.184 2.312 -3.701 1.00 0.00 C ATOM 1071 C VAL B 16 -8.128 1.618 -4.559 1.00 0.00 C ATOM 1072 O VAL B 16 -8.034 0.382 -4.549 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.668 2.826 -2.345 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -8.024 4.207 -2.539 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.806 2.950 -1.334 1.00 0.00 C ATOM 0 H VAL B 16 -9.964 0.610 -2.811 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.541 3.218 -4.191 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.938 2.112 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.657 4.575 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -7.193 4.126 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.765 4.902 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.412 3.315 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -10.552 3.650 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.267 1.974 -1.184 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.357 2.391 -5.309 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.303 1.909 -6.171 1.00 0.00 C ATOM 1087 C VAL B 17 -5.210 2.960 -6.145 1.00 0.00 C ATOM 1088 O VAL B 17 -5.416 4.112 -6.550 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.864 1.597 -7.565 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.466 2.796 -8.299 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.787 0.952 -8.442 1.00 0.00 C ATOM 0 H VAL B 17 -7.456 3.406 -5.331 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.874 0.966 -5.834 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.688 0.906 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.836 2.478 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.290 3.204 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.702 3.562 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.201 0.737 -9.427 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.944 1.635 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.449 0.024 -7.980 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.052 2.582 -5.617 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.923 3.494 -5.523 1.00 0.00 C ATOM 1103 C ARG B 18 -1.613 2.729 -5.530 1.00 0.00 C ATOM 1104 O ARG B 18 -1.570 1.519 -5.298 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.123 4.365 -4.270 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.088 5.489 -4.107 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.603 6.562 -3.147 1.00 0.00 C ATOM 1108 NE ARG B 18 -3.723 7.326 -3.725 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.640 8.292 -4.648 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -2.471 8.822 -4.994 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -4.739 8.727 -5.245 1.00 0.00 N ATOM 0 H ARG B 18 -3.872 1.648 -5.247 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.873 4.152 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.119 4.807 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.089 3.725 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.152 5.076 -3.731 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.872 5.935 -5.078 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.925 6.093 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.791 7.244 -2.895 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.657 7.095 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.612 8.493 -4.553 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.433 9.557 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.645 8.326 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.680 9.463 -5.949 1.00 0.00 H new ATOM 1125 N THR B 19 -0.541 3.447 -5.838 1.00 0.00 N ATOM 1126 CA THR B 19 0.804 2.918 -5.886 1.00 0.00 C ATOM 1127 C THR B 19 1.425 3.262 -4.537 1.00 0.00 C ATOM 1128 O THR B 19 1.629 4.445 -4.239 1.00 0.00 O ATOM 1129 CB THR B 19 1.589 3.527 -7.061 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.741 3.855 -8.149 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.634 2.527 -7.548 1.00 0.00 C ATOM 0 H THR B 19 -0.591 4.440 -6.067 1.00 0.00 H new ATOM 0 HA THR B 19 0.818 1.841 -6.055 1.00 0.00 H new ATOM 0 HB THR B 19 2.061 4.441 -6.701 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.275 4.240 -8.875 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.190 2.958 -8.380 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.321 2.294 -6.735 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.138 1.614 -7.877 1.00 0.00 H new ATOM 1139 N LEU B 20 1.674 2.259 -3.696 1.00 0.00 N ATOM 1140 CA LEU B 20 2.261 2.452 -2.380 1.00 0.00 C ATOM 1141 C LEU B 20 3.674 1.897 -2.451 1.00 0.00 C ATOM 1142 O LEU B 20 3.847 0.690 -2.652 1.00 0.00 O ATOM 1143 CB LEU B 20 1.390 1.782 -1.309 1.00 0.00 C ATOM 1144 CG LEU B 20 1.366 2.536 0.032 1.00 0.00 C ATOM 1145 CD1 LEU B 20 2.745 2.861 0.618 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.559 3.841 -0.056 1.00 0.00 C ATOM 0 H LEU B 20 1.471 1.284 -3.915 1.00 0.00 H new ATOM 0 HA LEU B 20 2.308 3.503 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.371 1.695 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.754 0.769 -1.139 1.00 0.00 H new ATOM 0 HG LEU B 20 0.884 1.830 0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.623 3.392 1.562 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.294 1.935 0.791 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.299 3.487 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.568 4.341 0.913 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.005 4.495 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.469 3.615 -0.337 1.00 0.00 H new ATOM 1158 N ARG B 21 4.669 2.786 -2.428 1.00 0.00 N ATOM 1159 CA ARG B 21 6.074 2.399 -2.491 1.00 0.00 C ATOM 1160 C ARG B 21 6.606 2.113 -1.091 1.00 0.00 C ATOM 1161 O ARG B 21 6.091 2.664 -0.121 1.00 0.00 O ATOM 1162 CB ARG B 21 6.886 3.478 -3.239 1.00 0.00 C ATOM 1163 CG ARG B 21 7.280 2.921 -4.615 1.00 0.00 C ATOM 1164 CD ARG B 21 7.880 3.893 -5.619 1.00 0.00 C ATOM 1165 NE ARG B 21 8.987 4.667 -5.033 1.00 0.00 N ATOM 1166 CZ ARG B 21 9.960 5.336 -5.660 1.00 0.00 C ATOM 1167 NH1 ARG B 21 10.043 5.359 -6.990 1.00 0.00 N ATOM 1168 NH2 ARG B 21 10.865 5.968 -4.926 1.00 0.00 N ATOM 0 H ARG B 21 4.520 3.793 -2.365 1.00 0.00 H new ATOM 0 HA ARG B 21 6.179 1.474 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.295 4.387 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG B 21 7.776 3.746 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG B 21 7.996 2.114 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG B 21 6.392 2.477 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.241 3.342 -6.488 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.106 4.575 -5.973 1.00 0.00 H new ATOM 0 HE ARG B 21 9.015 4.697 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG B 21 9.355 4.859 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG B 21 10.795 5.877 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG B 21 10.808 5.936 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG B 21 11.618 6.486 -5.379 1.00 0.00 H new ATOM 1182 N PHE B 22 7.628 1.259 -0.999 1.00 0.00 N ATOM 1183 CA PHE B 22 8.257 0.878 0.272 1.00 0.00 C ATOM 1184 C PHE B 22 9.755 0.774 0.041 1.00 0.00 C ATOM 1185 O PHE B 22 10.150 0.366 -1.052 1.00 0.00 O ATOM 1186 CB PHE B 22 7.728 -0.473 0.784 1.00 0.00 C ATOM 1187 CG PHE B 22 6.266 -0.479 1.189 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.268 -0.649 0.211 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.894 -0.317 2.539 1.00 0.00 C ATOM 1190 CE1 PHE B 22 3.913 -0.647 0.575 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.537 -0.328 2.904 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.543 -0.489 1.923 1.00 0.00 C ATOM 0 H PHE B 22 8.048 0.807 -1.811 1.00 0.00 H new ATOM 0 HA PHE B 22 8.022 1.632 1.023 1.00 0.00 H new ATOM 0 HB2 PHE B 22 7.877 -1.222 0.006 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.328 -0.779 1.641 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.546 -0.782 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.654 -0.184 3.295 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.152 -0.767 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.257 -0.212 3.941 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.500 -0.491 2.203 1.00 0.00 H new ATOM 1202 N SER B 23 10.582 1.162 1.015 1.00 0.00 N ATOM 1203 CA SER B 23 12.043 1.100 0.894 1.00 0.00 C ATOM 1204 C SER B 23 12.493 -0.366 1.011 1.00 0.00 C ATOM 1205 O SER B 23 11.695 -1.185 1.458 1.00 0.00 O ATOM 1206 CB SER B 23 12.690 1.985 1.967 1.00 0.00 C ATOM 1207 OG SER B 23 11.916 3.144 2.216 1.00 0.00 O ATOM 0 H SER B 23 10.259 1.528 1.910 1.00 0.00 H new ATOM 0 HA SER B 23 12.362 1.478 -0.077 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.804 1.416 2.890 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.690 2.276 1.646 1.00 0.00 H new ATOM 0 HG SER B 23 11.742 3.221 3.177 1.00 0.00 H new ATOM 1213 N PRO B 24 13.743 -0.741 0.681 1.00 0.00 N ATOM 1214 CA PRO B 24 14.182 -2.136 0.770 1.00 0.00 C ATOM 1215 C PRO B 24 14.261 -2.628 2.216 1.00 0.00 C ATOM 1216 O PRO B 24 14.027 -3.805 2.487 1.00 0.00 O ATOM 1217 CB PRO B 24 15.554 -2.185 0.094 1.00 0.00 C ATOM 1218 CG PRO B 24 16.074 -0.765 0.299 1.00 0.00 C ATOM 1219 CD PRO B 24 14.813 0.089 0.158 1.00 0.00 C ATOM 0 HA PRO B 24 13.466 -2.797 0.281 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.207 -2.927 0.554 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.477 -2.440 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.537 -0.642 1.278 1.00 0.00 H new ATOM 0 HG3 PRO B 24 16.826 -0.500 -0.444 1.00 0.00 H new ATOM 0 HD2 PRO B 24 14.901 1.020 0.718 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.632 0.359 -0.883 1.00 0.00 H new ATOM 1227 N VAL B 25 14.610 -1.740 3.148 1.00 0.00 N ATOM 1228 CA VAL B 25 14.719 -2.060 4.561 1.00 0.00 C ATOM 1229 C VAL B 25 13.318 -2.431 5.069 1.00 0.00 C ATOM 1230 O VAL B 25 13.136 -3.515 5.624 1.00 0.00 O ATOM 1231 CB VAL B 25 15.377 -0.872 5.292 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.520 -1.153 6.788 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.761 -0.546 4.705 1.00 0.00 C ATOM 0 H VAL B 25 14.827 -0.767 2.934 1.00 0.00 H new ATOM 0 HA VAL B 25 15.362 -2.919 4.753 1.00 0.00 H new ATOM 0 HB VAL B 25 14.721 -0.013 5.150 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.987 -0.297 7.276 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.535 -1.325 7.222 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.140 -2.037 6.934 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.196 0.296 5.244 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.412 -1.415 4.804 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.658 -0.288 3.651 1.00 0.00 H new ATOM 1243 N GLU B 26 12.330 -1.563 4.814 1.00 0.00 N ATOM 1244 CA GLU B 26 10.943 -1.764 5.209 1.00 0.00 C ATOM 1245 C GLU B 26 10.362 -2.987 4.511 1.00 0.00 C ATOM 1246 O GLU B 26 9.700 -3.788 5.154 1.00 0.00 O ATOM 1247 CB GLU B 26 10.091 -0.541 4.840 1.00 0.00 C ATOM 1248 CG GLU B 26 10.322 0.667 5.753 1.00 0.00 C ATOM 1249 CD GLU B 26 11.402 1.594 5.223 1.00 0.00 C ATOM 1250 OE1 GLU B 26 12.604 1.310 5.411 1.00 0.00 O ATOM 1251 OE2 GLU B 26 11.038 2.592 4.561 1.00 0.00 O ATOM 0 H GLU B 26 12.483 -0.686 4.317 1.00 0.00 H new ATOM 0 HA GLU B 26 10.925 -1.911 6.289 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.308 -0.255 3.811 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.037 -0.818 4.878 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.390 1.222 5.859 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.601 0.319 6.748 1.00 0.00 H new ATOM 1258 N ASP B 27 10.614 -3.133 3.211 1.00 0.00 N ATOM 1259 CA ASP B 27 10.143 -4.228 2.370 1.00 0.00 C ATOM 1260 C ASP B 27 10.586 -5.577 2.914 1.00 0.00 C ATOM 1261 O ASP B 27 9.784 -6.499 2.971 1.00 0.00 O ATOM 1262 CB ASP B 27 10.702 -4.015 0.967 1.00 0.00 C ATOM 1263 CG ASP B 27 10.543 -5.224 0.058 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.452 -5.827 0.003 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.518 -5.560 -0.656 1.00 0.00 O ATOM 0 H ASP B 27 11.178 -2.459 2.693 1.00 0.00 H new ATOM 0 HA ASP B 27 9.053 -4.231 2.354 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.202 -3.160 0.512 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.760 -3.763 1.041 1.00 0.00 H new ATOM 1270 N GLU B 28 11.848 -5.700 3.312 1.00 0.00 N ATOM 1271 CA GLU B 28 12.402 -6.915 3.872 1.00 0.00 C ATOM 1272 C GLU B 28 11.677 -7.223 5.184 1.00 0.00 C ATOM 1273 O GLU B 28 11.249 -8.354 5.393 1.00 0.00 O ATOM 1274 CB GLU B 28 13.900 -6.692 4.034 1.00 0.00 C ATOM 1275 CG GLU B 28 14.651 -7.805 4.767 1.00 0.00 C ATOM 1276 CD GLU B 28 16.157 -7.545 4.708 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.556 -6.361 4.844 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.912 -8.517 4.475 1.00 0.00 O ATOM 0 H GLU B 28 12.524 -4.938 3.250 1.00 0.00 H new ATOM 0 HA GLU B 28 12.261 -7.786 3.231 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.341 -6.569 3.045 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.055 -5.756 4.571 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.322 -7.854 5.805 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.422 -8.769 4.314 1.00 0.00 H new ATOM 1285 N THR B 29 11.497 -6.233 6.059 1.00 0.00 N ATOM 1286 CA THR B 29 10.805 -6.418 7.329 1.00 0.00 C ATOM 1287 C THR B 29 9.356 -6.836 7.093 1.00 0.00 C ATOM 1288 O THR B 29 8.897 -7.799 7.704 1.00 0.00 O ATOM 1289 CB THR B 29 10.925 -5.128 8.155 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.290 -4.951 8.487 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.089 -5.120 9.439 1.00 0.00 C ATOM 0 H THR B 29 11.828 -5.281 5.904 1.00 0.00 H new ATOM 0 HA THR B 29 11.267 -7.225 7.898 1.00 0.00 H new ATOM 0 HB THR B 29 10.535 -4.315 7.542 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.752 -4.506 7.746 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.232 -4.174 9.961 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.035 -5.240 9.188 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.404 -5.941 10.083 1.00 0.00 H new ATOM 1299 N ILE B 30 8.641 -6.143 6.208 1.00 0.00 N ATOM 1300 CA ILE B 30 7.255 -6.449 5.895 1.00 0.00 C ATOM 1301 C ILE B 30 7.197 -7.856 5.268 1.00 0.00 C ATOM 1302 O ILE B 30 6.298 -8.648 5.516 1.00 0.00 O ATOM 1303 CB ILE B 30 6.633 -5.307 5.064 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.511 -4.048 5.962 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.236 -5.712 4.564 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.277 -2.733 5.206 1.00 0.00 C ATOM 0 H ILE B 30 9.014 -5.349 5.687 1.00 0.00 H new ATOM 0 HA ILE B 30 6.629 -6.495 6.786 1.00 0.00 H new ATOM 0 HB ILE B 30 7.268 -5.099 4.203 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.690 -4.198 6.663 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.421 -3.953 6.554 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.809 -4.897 3.979 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.317 -6.603 3.941 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.591 -5.923 5.417 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.205 -1.911 5.919 1.00 0.00 H new ATOM 0 HD12 ILE B 30 7.109 -2.552 4.525 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.350 -2.801 4.636 1.00 0.00 H new ATOM 1318 N ARG B 31 8.163 -8.223 4.435 1.00 0.00 N ATOM 1319 CA ARG B 31 8.186 -9.556 3.838 1.00 0.00 C ATOM 1320 C ARG B 31 8.376 -10.602 4.942 1.00 0.00 C ATOM 1321 O ARG B 31 7.801 -11.687 4.875 1.00 0.00 O ATOM 1322 CB ARG B 31 9.297 -9.609 2.780 1.00 0.00 C ATOM 1323 CG ARG B 31 9.581 -11.038 2.324 1.00 0.00 C ATOM 1324 CD ARG B 31 10.608 -11.069 1.202 1.00 0.00 C ATOM 1325 NE ARG B 31 10.913 -12.479 0.917 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.674 -13.032 -0.027 1.00 0.00 C ATOM 1327 NH1 ARG B 31 12.468 -12.316 -0.813 1.00 0.00 N ATOM 1328 NH2 ARG B 31 11.621 -14.348 -0.182 1.00 0.00 N ATOM 0 H ARG B 31 8.938 -7.621 4.157 1.00 0.00 H new ATOM 0 HA ARG B 31 7.243 -9.778 3.339 1.00 0.00 H new ATOM 0 HB2 ARG B 31 9.009 -9.004 1.920 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.208 -9.170 3.188 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.944 -11.625 3.168 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.656 -11.504 1.985 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.218 -10.574 0.312 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.511 -10.533 1.495 1.00 0.00 H new ATOM 0 HE ARG B 31 10.467 -13.146 1.548 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.512 -11.303 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG B 31 13.035 -12.779 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG B 31 11.010 -14.907 0.413 1.00 0.00 H new ATOM 0 HH22 ARG B 31 12.192 -14.801 -0.896 1.00 0.00 H new ATOM 1342 N LYS B 32 9.200 -10.309 5.944 1.00 0.00 N ATOM 1343 CA LYS B 32 9.489 -11.211 7.048 1.00 0.00 C ATOM 1344 C LYS B 32 8.316 -11.355 8.002 1.00 0.00 C ATOM 1345 O LYS B 32 8.008 -12.482 8.384 1.00 0.00 O ATOM 1346 CB LYS B 32 10.763 -10.749 7.768 1.00 0.00 C ATOM 1347 CG LYS B 32 12.007 -11.466 7.231 1.00 0.00 C ATOM 1348 CD LYS B 32 12.370 -11.225 5.754 1.00 0.00 C ATOM 1349 CE LYS B 32 13.203 -12.384 5.200 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.560 -12.453 5.773 1.00 0.00 N ATOM 0 H LYS B 32 9.694 -9.419 6.010 1.00 0.00 H new ATOM 0 HA LYS B 32 9.659 -12.207 6.640 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.881 -9.672 7.644 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.666 -10.938 8.837 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.859 -11.169 7.842 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.869 -12.538 7.375 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.460 -11.112 5.165 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.928 -10.293 5.660 1.00 0.00 H new ATOM 0 HE2 LYS B 32 12.684 -13.322 5.398 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.278 -12.283 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.072 -13.257 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.071 -11.572 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.496 -12.578 6.803 1.00 0.00 H new ATOM 1364 N LYS B 33 7.696 -10.262 8.444 1.00 0.00 N ATOM 1365 CA LYS B 33 6.566 -10.344 9.364 1.00 0.00 C ATOM 1366 C LYS B 33 5.397 -11.004 8.641 1.00 0.00 C ATOM 1367 O LYS B 33 4.824 -11.931 9.200 1.00 0.00 O ATOM 1368 CB LYS B 33 6.199 -8.961 9.914 1.00 0.00 C ATOM 1369 CG LYS B 33 6.639 -8.678 11.344 1.00 0.00 C ATOM 1370 CD LYS B 33 8.135 -8.397 11.462 1.00 0.00 C ATOM 1371 CE LYS B 33 8.393 -7.950 12.901 1.00 0.00 C ATOM 1372 NZ LYS B 33 9.810 -8.063 13.283 1.00 0.00 N ATOM 0 H LYS B 33 7.957 -9.312 8.180 1.00 0.00 H new ATOM 0 HA LYS B 33 6.834 -10.953 10.228 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.636 -8.204 9.263 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.117 -8.844 9.857 1.00 0.00 H new ATOM 0 HG2 LYS B 33 6.083 -7.823 11.727 1.00 0.00 H new ATOM 0 HG3 LYS B 33 6.384 -9.531 11.973 1.00 0.00 H new ATOM 0 HD2 LYS B 33 8.715 -9.289 11.225 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.439 -7.623 10.757 1.00 0.00 H new ATOM 0 HE2 LYS B 33 8.070 -6.916 13.020 1.00 0.00 H new ATOM 0 HE3 LYS B 33 7.789 -8.553 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 9.931 -7.748 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 10.115 -9.054 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 10.387 -7.467 12.656 1.00 0.00 H new ATOM 1386 N ALA B 34 5.081 -10.603 7.404 1.00 0.00 N ATOM 1387 CA ALA B 34 3.992 -11.178 6.619 1.00 0.00 C ATOM 1388 C ALA B 34 4.147 -12.696 6.535 1.00 0.00 C ATOM 1389 O ALA B 34 3.256 -13.428 6.961 1.00 0.00 O ATOM 1390 CB ALA B 34 3.937 -10.539 5.230 1.00 0.00 C ATOM 0 H ALA B 34 5.583 -9.860 6.917 1.00 0.00 H new ATOM 0 HA ALA B 34 3.045 -10.966 7.115 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.120 -10.980 4.659 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.773 -9.466 5.329 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.879 -10.716 4.711 1.00 0.00 H new ATOM 1396 N GLU B 35 5.295 -13.167 6.044 1.00 0.00 N ATOM 1397 CA GLU B 35 5.553 -14.595 5.878 1.00 0.00 C ATOM 1398 C GLU B 35 5.556 -15.349 7.207 1.00 0.00 C ATOM 1399 O GLU B 35 5.067 -16.478 7.269 1.00 0.00 O ATOM 1400 CB GLU B 35 6.885 -14.779 5.140 1.00 0.00 C ATOM 1401 CG GLU B 35 7.117 -16.180 4.549 1.00 0.00 C ATOM 1402 CD GLU B 35 6.342 -16.440 3.253 1.00 0.00 C ATOM 1403 OE1 GLU B 35 5.282 -15.832 3.010 1.00 0.00 O ATOM 1404 OE2 GLU B 35 6.800 -17.267 2.428 1.00 0.00 O ATOM 0 H GLU B 35 6.068 -12.570 5.752 1.00 0.00 H new ATOM 0 HA GLU B 35 4.741 -15.022 5.290 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.939 -14.048 4.333 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.698 -14.554 5.830 1.00 0.00 H new ATOM 0 HG2 GLU B 35 8.182 -16.312 4.357 1.00 0.00 H new ATOM 0 HG3 GLU B 35 6.831 -16.928 5.289 1.00 0.00 H new ATOM 1411 N ASP B 36 6.114 -14.763 8.270 1.00 0.00 N ATOM 1412 CA ASP B 36 6.148 -15.417 9.575 1.00 0.00 C ATOM 1413 C ASP B 36 4.744 -15.497 10.165 1.00 0.00 C ATOM 1414 O ASP B 36 4.399 -16.486 10.807 1.00 0.00 O ATOM 1415 CB ASP B 36 7.103 -14.703 10.524 1.00 0.00 C ATOM 1416 CG ASP B 36 7.187 -15.429 11.862 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.444 -16.657 11.867 1.00 0.00 O ATOM 1418 OD2 ASP B 36 7.101 -14.762 12.914 1.00 0.00 O ATOM 0 H ASP B 36 6.546 -13.839 8.250 1.00 0.00 H new ATOM 0 HA ASP B 36 6.521 -16.432 9.439 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.094 -14.646 10.074 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.766 -13.679 10.682 1.00 0.00 H new ATOM 1423 N SER B 37 3.918 -14.479 9.928 1.00 0.00 N ATOM 1424 CA SER B 37 2.543 -14.445 10.399 1.00 0.00 C ATOM 1425 C SER B 37 1.689 -15.375 9.515 1.00 0.00 C ATOM 1426 O SER B 37 0.568 -15.733 9.885 1.00 0.00 O ATOM 1427 CB SER B 37 2.041 -12.993 10.366 1.00 0.00 C ATOM 1428 OG SER B 37 0.800 -12.848 11.027 1.00 0.00 O ATOM 0 H SER B 37 4.191 -13.650 9.399 1.00 0.00 H new ATOM 0 HA SER B 37 2.470 -14.801 11.427 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.780 -12.343 10.835 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.941 -12.667 9.331 1.00 0.00 H new ATOM 0 HG SER B 37 0.515 -11.911 10.986 1.00 0.00 H new ATOM 1434 N GLY B 38 2.222 -15.836 8.377 1.00 0.00 N ATOM 1435 CA GLY B 38 1.530 -16.707 7.449 1.00 0.00 C ATOM 1436 C GLY B 38 0.499 -15.926 6.642 1.00 0.00 C ATOM 1437 O GLY B 38 -0.548 -16.479 6.296 1.00 0.00 O ATOM 0 H GLY B 38 3.169 -15.602 8.079 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.249 -17.173 6.775 1.00 0.00 H new ATOM 0 HA3 GLY B 38 1.038 -17.511 7.996 1.00 0.00 H new ATOM 1441 N LEU B 39 0.732 -14.633 6.397 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.131 -13.754 5.642 1.00 0.00 C ATOM 1443 C LEU B 39 0.666 -13.214 4.463 1.00 0.00 C ATOM 1444 O LEU B 39 1.899 -13.227 4.438 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.551 -12.554 6.517 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.397 -12.867 7.764 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -1.710 -11.554 8.494 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.710 -13.573 7.404 1.00 0.00 C ATOM 0 H LEU B 39 1.568 -14.161 6.740 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.016 -14.300 5.314 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.352 -12.037 6.840 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.111 -11.858 5.893 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.824 -13.539 8.403 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.309 -11.764 9.380 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -0.779 -11.072 8.792 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.265 -10.891 7.829 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.276 -13.775 8.314 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.298 -12.934 6.745 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.491 -14.513 6.897 1.00 0.00 H new ATOM 1460 N THR B 40 -0.043 -12.755 3.446 1.00 0.00 N ATOM 1461 CA THR B 40 0.590 -12.151 2.291 1.00 0.00 C ATOM 1462 C THR B 40 0.877 -10.713 2.732 1.00 0.00 C ATOM 1463 O THR B 40 0.143 -10.144 3.549 1.00 0.00 O ATOM 1464 CB THR B 40 -0.320 -12.240 1.051 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.168 -11.423 0.004 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.762 -11.839 1.354 1.00 0.00 C ATOM 0 H THR B 40 -1.061 -12.790 3.399 1.00 0.00 H new ATOM 0 HA THR B 40 1.506 -12.657 1.986 1.00 0.00 H new ATOM 0 HB THR B 40 -0.310 -13.286 0.744 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.413 -10.640 -0.098 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.360 -11.920 0.447 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.171 -12.500 2.118 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.786 -10.810 1.714 1.00 0.00 H new ATOM 1474 N VAL B 41 1.911 -10.097 2.165 1.00 0.00 N ATOM 1475 CA VAL B 41 2.320 -8.725 2.431 1.00 0.00 C ATOM 1476 C VAL B 41 1.092 -7.795 2.358 1.00 0.00 C ATOM 1477 O VAL B 41 0.941 -6.935 3.222 1.00 0.00 O ATOM 1478 CB VAL B 41 3.463 -8.353 1.457 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.741 -6.848 1.447 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.759 -9.109 1.810 1.00 0.00 C ATOM 0 H VAL B 41 2.509 -10.560 1.481 1.00 0.00 H new ATOM 0 HA VAL B 41 2.717 -8.609 3.440 1.00 0.00 H new ATOM 0 HB VAL B 41 3.132 -8.648 0.461 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.550 -6.632 0.750 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.843 -6.314 1.137 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.028 -6.524 2.447 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.546 -8.829 1.110 1.00 0.00 H new ATOM 0 HG22 VAL B 41 5.066 -8.851 2.823 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.583 -10.183 1.747 1.00 0.00 H new ATOM 1490 N SER B 42 0.191 -7.964 1.384 1.00 0.00 N ATOM 1491 CA SER B 42 -1.005 -7.130 1.255 1.00 0.00 C ATOM 1492 C SER B 42 -1.900 -7.237 2.500 1.00 0.00 C ATOM 1493 O SER B 42 -2.287 -6.213 3.070 1.00 0.00 O ATOM 1494 CB SER B 42 -1.758 -7.519 -0.021 1.00 0.00 C ATOM 1495 OG SER B 42 -1.916 -8.924 -0.114 1.00 0.00 O ATOM 0 H SER B 42 0.272 -8.683 0.665 1.00 0.00 H new ATOM 0 HA SER B 42 -0.705 -6.085 1.179 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.737 -7.039 -0.030 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.216 -7.153 -0.893 1.00 0.00 H new ATOM 0 HG SER B 42 -2.401 -9.145 -0.936 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.227 -8.466 2.922 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.053 -8.723 4.096 1.00 0.00 C ATOM 1503 C ALA B 43 -2.362 -8.154 5.321 1.00 0.00 C ATOM 1504 O ALA B 43 -3.015 -7.549 6.160 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.300 -10.212 4.340 1.00 0.00 C ATOM 0 H ALA B 43 -1.919 -9.315 2.448 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.018 -8.249 3.914 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.921 -10.337 5.227 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.809 -10.643 3.478 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.347 -10.719 4.489 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.049 -8.351 5.432 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.295 -7.841 6.554 1.00 0.00 C ATOM 1513 C TYR B 44 -0.453 -6.319 6.625 1.00 0.00 C ATOM 1514 O TYR B 44 -0.784 -5.801 7.687 1.00 0.00 O ATOM 1515 CB TYR B 44 1.170 -8.263 6.472 1.00 0.00 C ATOM 1516 CG TYR B 44 1.938 -7.652 7.617 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.451 -6.348 7.475 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.078 -8.343 8.835 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.108 -5.726 8.545 1.00 0.00 C ATOM 1520 CE2 TYR B 44 2.696 -7.700 9.926 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.195 -6.381 9.798 1.00 0.00 C ATOM 1522 OH TYR B 44 3.838 -5.795 10.843 1.00 0.00 O ATOM 0 H TYR B 44 -0.491 -8.864 4.749 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.688 -8.269 7.476 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.248 -9.350 6.507 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.598 -7.943 5.522 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.337 -5.825 6.537 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.716 -9.356 8.933 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.548 -4.748 8.415 1.00 0.00 H new ATOM 0 HE2 TYR B 44 2.790 -8.218 10.869 1.00 0.00 H new ATOM 0 HH TYR B 44 4.227 -4.944 10.552 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.228 -5.610 5.510 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.345 -4.158 5.428 1.00 0.00 C ATOM 1534 C ILE B 45 -1.732 -3.714 5.885 1.00 0.00 C ATOM 1535 O ILE B 45 -1.848 -2.944 6.834 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.046 -3.643 3.991 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.439 -3.742 3.588 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.531 -2.190 3.800 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.382 -2.859 4.393 1.00 0.00 C ATOM 0 H ILE B 45 0.045 -6.043 4.628 1.00 0.00 H new ATOM 0 HA ILE B 45 0.400 -3.721 6.093 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.604 -4.310 3.333 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.760 -4.779 3.690 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.532 -3.482 2.534 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.306 -1.862 2.785 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.607 -2.141 3.968 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.023 -1.540 4.512 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.403 -2.997 4.037 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.094 -1.815 4.273 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.325 -3.132 5.447 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.776 -4.169 5.189 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.145 -3.797 5.502 1.00 0.00 C ATOM 1553 C ARG B 46 -4.477 -4.078 6.962 1.00 0.00 C ATOM 1554 O ARG B 46 -4.981 -3.191 7.636 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.133 -4.397 4.470 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.609 -5.822 4.760 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.388 -6.412 3.586 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.882 -7.758 3.909 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.574 -8.553 3.087 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -7.852 -8.177 1.843 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -7.996 -9.737 3.508 1.00 0.00 N ATOM 0 H ARG B 46 -2.690 -4.804 4.395 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.258 -2.718 5.402 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.006 -3.747 4.409 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -4.658 -4.385 3.489 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.749 -6.455 4.980 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.239 -5.820 5.650 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.227 -5.762 3.338 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.748 -6.457 2.705 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.679 -8.117 4.842 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.536 -7.269 1.502 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.381 -8.796 1.229 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.793 -10.042 4.460 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.524 -10.343 2.880 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.175 -5.274 7.457 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.451 -5.686 8.823 1.00 0.00 C ATOM 1577 C ASN B 47 -3.751 -4.811 9.853 1.00 0.00 C ATOM 1578 O ASN B 47 -4.423 -4.322 10.763 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.072 -7.157 9.004 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.350 -7.598 10.426 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.500 -7.809 10.803 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.327 -7.767 11.229 1.00 0.00 N ATOM 0 H ASN B 47 -3.720 -6.000 6.903 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.520 -5.563 8.996 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.638 -7.774 8.307 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.017 -7.299 8.771 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.478 -8.080 12.188 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.381 -7.586 10.894 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.437 -4.618 9.713 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.651 -3.806 10.631 1.00 0.00 C ATOM 1591 C ALA B 48 -2.129 -2.358 10.647 1.00 0.00 C ATOM 1592 O ALA B 48 -2.098 -1.713 11.685 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.173 -3.833 10.215 1.00 0.00 C ATOM 0 H ALA B 48 -1.890 -5.025 8.954 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.773 -4.225 11.630 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.410 -3.224 10.905 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.193 -4.859 10.239 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.072 -3.435 9.205 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.561 -1.839 9.497 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.011 -0.467 9.401 1.00 0.00 C ATOM 1601 C ALA B 49 -4.420 -0.242 9.967 1.00 0.00 C ATOM 1602 O ALA B 49 -4.742 0.888 10.339 1.00 0.00 O ATOM 1603 CB ALA B 49 -2.905 -0.061 7.938 1.00 0.00 C ATOM 0 H ALA B 49 -2.605 -2.358 8.620 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.376 0.165 10.023 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.236 0.971 7.822 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -1.869 -0.149 7.610 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.534 -0.714 7.333 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.264 -1.277 10.020 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.631 -1.171 10.534 1.00 0.00 C ATOM 1611 C LEU B 50 -6.662 -1.321 12.039 1.00 0.00 C ATOM 1612 O LEU B 50 -7.477 -0.674 12.692 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.517 -2.281 9.964 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.758 -2.119 8.467 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.144 -3.477 7.886 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.794 -1.050 8.138 1.00 0.00 C ATOM 0 H LEU B 50 -5.016 -2.215 9.706 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.997 -0.188 10.237 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.050 -3.248 10.152 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.474 -2.283 10.486 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.834 -1.768 8.007 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.320 -3.378 6.815 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.336 -4.189 8.057 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.052 -3.836 8.371 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.919 -0.985 7.057 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.747 -1.313 8.598 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.458 -0.087 8.523 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.865 -2.254 12.550 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.766 -2.531 13.982 1.00 0.00 C ATOM 1630 C ASN B 51 -4.837 -1.517 14.616 1.00 0.00 C ATOM 1631 O ASN B 51 -5.356 -0.443 14.978 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.279 -3.960 14.248 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.305 -4.988 13.849 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.310 -5.190 14.525 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.095 -5.649 12.727 1.00 0.00 N ATOM 0 H ASN B 51 -5.263 -2.846 11.977 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.758 -2.447 14.427 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.355 -4.137 13.697 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.045 -4.072 15.307 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -6.773 -6.341 12.408 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.254 -5.468 12.178 1.00 0.00 H new