USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 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: A 47 ASN : amide:sc= 0.624 K(o=1.3,f=-0.28) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.698 K(o=1.3,f=-0.17) USER MOD Single : A 15 THR OG1 : rot 13:sc= 0.961 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 136:sc= 1.2 USER MOD Single : A 29 THR OG1 : rot 79:sc= 0.689 USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.999) 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= 0.00337 USER MOD Single : A 44 TYR OH : rot -168:sc= 0.159 USER MOD Single : B 15 THR OG1 : rot 25:sc= 1.15 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 97:sc= 1.24 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -175:sc= -0.0156 (180deg=-0.0545) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -36:sc= 0.196 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot 12:sc= 0.418 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 51 ASN : amide:sc= 0.909 K(o=0.91,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.567 0.129 -3.791 1.00 0.00 N ATOM 235 CA THR A 15 12.225 0.510 -3.446 1.00 0.00 C ATOM 236 C THR A 15 11.273 -0.547 -3.986 1.00 0.00 C ATOM 237 O THR A 15 11.585 -1.300 -4.909 1.00 0.00 O ATOM 238 CB THR A 15 11.918 1.868 -4.115 1.00 0.00 C ATOM 239 OG1 THR A 15 10.831 2.563 -3.540 1.00 0.00 O ATOM 240 CG2 THR A 15 11.590 1.751 -5.609 1.00 0.00 C ATOM 0 HA THR A 15 12.110 0.595 -2.365 1.00 0.00 H new ATOM 0 HB THR A 15 12.847 2.416 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.596 2.151 -2.682 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.385 2.741 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.438 1.312 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.714 1.116 -5.741 1.00 0.00 H new ATOM 248 N VAL A 16 10.057 -0.484 -3.479 1.00 0.00 N ATOM 249 CA VAL A 16 8.971 -1.340 -3.894 1.00 0.00 C ATOM 250 C VAL A 16 8.024 -0.413 -4.652 1.00 0.00 C ATOM 251 O VAL A 16 7.936 0.777 -4.327 1.00 0.00 O ATOM 252 CB VAL A 16 8.294 -1.974 -2.673 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.252 -3.015 -3.086 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.313 -2.666 -1.776 1.00 0.00 C ATOM 0 H VAL A 16 9.794 0.180 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 16 9.299 -2.173 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 16 7.810 -1.160 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.793 -3.443 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.485 -2.539 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.735 -3.805 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.804 -3.106 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.820 -3.450 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.046 -1.938 -1.428 1.00 0.00 H new ATOM 264 N VAL A 17 7.349 -0.938 -5.667 1.00 0.00 N ATOM 265 CA VAL A 17 6.383 -0.231 -6.476 1.00 0.00 C ATOM 266 C VAL A 17 5.309 -1.269 -6.779 1.00 0.00 C ATOM 267 O VAL A 17 5.527 -2.225 -7.535 1.00 0.00 O ATOM 268 CB VAL A 17 7.055 0.446 -7.683 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.633 -0.515 -8.721 1.00 0.00 C ATOM 270 CG2 VAL A 17 6.075 1.396 -8.379 1.00 0.00 C ATOM 0 H VAL A 17 7.470 -1.909 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 17 5.916 0.621 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 17 7.900 0.989 -7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.085 0.055 -9.533 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.391 -1.143 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.836 -1.143 -9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.567 1.866 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.208 0.834 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.752 2.164 -7.677 1.00 0.00 H new ATOM 280 N ARG A 18 4.169 -1.142 -6.115 1.00 0.00 N ATOM 281 CA ARG A 18 3.044 -2.057 -6.275 1.00 0.00 C ATOM 282 C ARG A 18 1.738 -1.307 -6.065 1.00 0.00 C ATOM 283 O ARG A 18 1.696 -0.276 -5.387 1.00 0.00 O ATOM 284 CB ARG A 18 3.206 -3.238 -5.290 1.00 0.00 C ATOM 285 CG ARG A 18 1.986 -4.169 -5.238 1.00 0.00 C ATOM 286 CD ARG A 18 2.191 -5.379 -4.335 1.00 0.00 C ATOM 287 NE ARG A 18 3.036 -6.418 -4.948 1.00 0.00 N ATOM 288 CZ ARG A 18 2.613 -7.334 -5.831 1.00 0.00 C ATOM 289 NH1 ARG A 18 1.321 -7.443 -6.134 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.462 -8.146 -6.448 1.00 0.00 N ATOM 0 H ARG A 18 3.996 -0.394 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 18 3.025 -2.464 -7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.084 -3.819 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.394 -2.844 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.122 -3.605 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.756 -4.512 -6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.646 -5.054 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.220 -5.808 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 18 4.020 -6.443 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.640 -6.825 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.013 -8.144 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.461 -8.082 -6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.115 -8.835 -7.116 1.00 0.00 H new ATOM 304 N THR A 19 0.677 -1.852 -6.647 1.00 0.00 N ATOM 305 CA THR A 19 -0.681 -1.347 -6.569 1.00 0.00 C ATOM 306 C THR A 19 -1.368 -2.282 -5.579 1.00 0.00 C ATOM 307 O THR A 19 -1.257 -3.503 -5.740 1.00 0.00 O ATOM 308 CB THR A 19 -1.328 -1.362 -7.962 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.467 -0.728 -8.893 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.681 -0.646 -7.976 1.00 0.00 C ATOM 0 H THR A 19 0.747 -2.698 -7.212 1.00 0.00 H new ATOM 0 HA THR A 19 -0.750 -0.311 -6.237 1.00 0.00 H new ATOM 0 HB THR A 19 -1.491 -2.405 -8.234 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.880 -0.740 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.101 -0.682 -8.981 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.361 -1.139 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.546 0.393 -7.676 1.00 0.00 H new ATOM 318 N LEU A 20 -2.054 -1.756 -4.564 1.00 0.00 N ATOM 319 CA LEU A 20 -2.715 -2.559 -3.550 1.00 0.00 C ATOM 320 C LEU A 20 -4.102 -1.968 -3.304 1.00 0.00 C ATOM 321 O LEU A 20 -4.213 -0.838 -2.834 1.00 0.00 O ATOM 322 CB LEU A 20 -1.769 -2.537 -2.339 1.00 0.00 C ATOM 323 CG LEU A 20 -1.886 -3.781 -1.452 1.00 0.00 C ATOM 324 CD1 LEU A 20 -0.478 -4.196 -1.018 1.00 0.00 C ATOM 325 CD2 LEU A 20 -2.757 -3.471 -0.242 1.00 0.00 C ATOM 0 H LEU A 20 -2.164 -0.751 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.892 -3.599 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.742 -2.447 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.979 -1.651 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.352 -4.599 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.539 -5.081 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.123 -4.421 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.014 -3.382 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.837 -4.359 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.308 -2.660 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.751 -3.172 -0.576 1.00 0.00 H new ATOM 337 N ARG A 21 -5.164 -2.682 -3.689 1.00 0.00 N ATOM 338 CA ARG A 21 -6.544 -2.223 -3.536 1.00 0.00 C ATOM 339 C ARG A 21 -7.116 -2.557 -2.167 1.00 0.00 C ATOM 340 O ARG A 21 -6.876 -3.674 -1.711 1.00 0.00 O ATOM 341 CB ARG A 21 -7.400 -2.813 -4.665 1.00 0.00 C ATOM 342 CG ARG A 21 -6.919 -2.300 -6.030 1.00 0.00 C ATOM 343 CD ARG A 21 -8.004 -2.388 -7.100 1.00 0.00 C ATOM 344 NE ARG A 21 -8.357 -3.774 -7.442 1.00 0.00 N ATOM 345 CZ ARG A 21 -7.756 -4.530 -8.366 1.00 0.00 C ATOM 346 NH1 ARG A 21 -6.706 -4.094 -9.047 1.00 0.00 N ATOM 347 NH2 ARG A 21 -8.202 -5.750 -8.631 1.00 0.00 N ATOM 0 H ARG A 21 -5.087 -3.603 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.556 -1.135 -3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.346 -3.901 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.445 -2.542 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.593 -1.265 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.052 -2.879 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.895 -1.867 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.665 -1.872 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.130 -4.196 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.337 -3.160 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.267 -4.693 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.010 -6.118 -8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.738 -6.320 -9.338 1.00 0.00 H new ATOM 361 N PHE A 22 -7.870 -1.640 -1.545 1.00 0.00 N ATOM 362 CA PHE A 22 -8.493 -1.754 -0.206 1.00 0.00 C ATOM 363 C PHE A 22 -10.000 -1.552 -0.308 1.00 0.00 C ATOM 364 O PHE A 22 -10.444 -0.967 -1.291 1.00 0.00 O ATOM 365 CB PHE A 22 -7.962 -0.658 0.741 1.00 0.00 C ATOM 366 CG PHE A 22 -6.499 -0.745 1.116 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.509 -0.434 0.167 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.122 -1.109 2.424 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.152 -0.534 0.502 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.762 -1.178 2.771 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.778 -0.905 1.808 1.00 0.00 C ATOM 0 H PHE A 22 -8.078 -0.743 -1.984 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.252 -2.745 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.138 0.311 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.552 -0.683 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.796 -0.117 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.879 -1.335 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.395 -0.327 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.474 -1.441 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.733 -0.980 2.069 1.00 0.00 H new ATOM 381 N SER A 23 -10.784 -2.012 0.669 1.00 0.00 N ATOM 382 CA SER A 23 -12.243 -1.850 0.645 1.00 0.00 C ATOM 383 C SER A 23 -12.616 -0.433 1.122 1.00 0.00 C ATOM 384 O SER A 23 -11.767 0.242 1.706 1.00 0.00 O ATOM 385 CB SER A 23 -12.864 -2.912 1.571 1.00 0.00 C ATOM 386 OG SER A 23 -12.215 -4.166 1.474 1.00 0.00 O ATOM 0 H SER A 23 -10.433 -2.502 1.492 1.00 0.00 H new ATOM 0 HA SER A 23 -12.624 -1.981 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.817 -2.562 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.919 -3.033 1.323 1.00 0.00 H new ATOM 0 HG SER A 23 -12.084 -4.537 2.372 1.00 0.00 H new ATOM 392 N PRO A 24 -13.871 0.028 0.951 1.00 0.00 N ATOM 393 CA PRO A 24 -14.267 1.365 1.380 1.00 0.00 C ATOM 394 C PRO A 24 -14.204 1.531 2.894 1.00 0.00 C ATOM 395 O PRO A 24 -13.749 2.568 3.369 1.00 0.00 O ATOM 396 CB PRO A 24 -15.686 1.578 0.854 1.00 0.00 C ATOM 397 CG PRO A 24 -16.230 0.161 0.691 1.00 0.00 C ATOM 398 CD PRO A 24 -14.987 -0.630 0.288 1.00 0.00 C ATOM 0 HA PRO A 24 -13.579 2.112 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.288 2.160 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.685 2.118 -0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.667 -0.214 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.007 0.111 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.068 -1.672 0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.856 -0.629 -0.794 1.00 0.00 H new ATOM 406 N VAL A 25 -14.659 0.530 3.648 1.00 0.00 N ATOM 407 CA VAL A 25 -14.655 0.551 5.104 1.00 0.00 C ATOM 408 C VAL A 25 -13.208 0.743 5.573 1.00 0.00 C ATOM 409 O VAL A 25 -12.924 1.686 6.307 1.00 0.00 O ATOM 410 CB VAL A 25 -15.326 -0.742 5.609 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.223 -0.916 7.124 1.00 0.00 C ATOM 412 CG2 VAL A 25 -16.812 -0.775 5.215 1.00 0.00 C ATOM 0 H VAL A 25 -15.045 -0.328 3.255 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.230 1.378 5.520 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.786 -1.561 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.714 -1.844 7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.173 -0.952 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.708 -0.076 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.265 -1.696 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.324 0.081 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.902 -0.734 4.129 1.00 0.00 H new ATOM 422 N GLU A 26 -12.301 -0.110 5.087 1.00 0.00 N ATOM 423 CA GLU A 26 -10.883 -0.075 5.409 1.00 0.00 C ATOM 424 C GLU A 26 -10.279 1.291 5.066 1.00 0.00 C ATOM 425 O GLU A 26 -9.545 1.861 5.869 1.00 0.00 O ATOM 426 CB GLU A 26 -10.145 -1.192 4.638 1.00 0.00 C ATOM 427 CG GLU A 26 -10.282 -2.597 5.247 1.00 0.00 C ATOM 428 CD GLU A 26 -11.510 -3.378 4.781 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.630 -3.069 5.230 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.346 -4.325 3.963 1.00 0.00 O ATOM 0 H GLU A 26 -12.546 -0.861 4.442 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.766 -0.239 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.521 -1.217 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.087 -0.937 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.389 -3.172 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.317 -2.506 6.333 1.00 0.00 H new ATOM 437 N ASP A 27 -10.590 1.813 3.878 1.00 0.00 N ATOM 438 CA ASP A 27 -10.095 3.096 3.395 1.00 0.00 C ATOM 439 C ASP A 27 -10.501 4.247 4.287 1.00 0.00 C ATOM 440 O ASP A 27 -9.644 5.044 4.645 1.00 0.00 O ATOM 441 CB ASP A 27 -10.639 3.367 1.991 1.00 0.00 C ATOM 442 CG ASP A 27 -10.210 4.730 1.426 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.019 5.091 1.541 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.055 5.411 0.791 1.00 0.00 O ATOM 0 H ASP A 27 -11.206 1.343 3.214 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.007 3.030 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.299 2.579 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.728 3.318 2.015 1.00 0.00 H new ATOM 449 N GLU A 28 -11.786 4.348 4.626 1.00 0.00 N ATOM 450 CA GLU A 28 -12.281 5.418 5.474 1.00 0.00 C ATOM 451 C GLU A 28 -11.586 5.361 6.829 1.00 0.00 C ATOM 452 O GLU A 28 -11.174 6.401 7.339 1.00 0.00 O ATOM 453 CB GLU A 28 -13.808 5.346 5.627 1.00 0.00 C ATOM 454 CG GLU A 28 -14.444 6.662 5.170 1.00 0.00 C ATOM 455 CD GLU A 28 -15.922 6.698 5.535 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.751 6.101 4.815 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.247 7.335 6.566 1.00 0.00 O ATOM 0 H GLU A 28 -12.505 3.692 4.320 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.052 6.374 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.202 4.518 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.068 5.149 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.928 7.502 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.327 6.774 4.092 1.00 0.00 H new ATOM 464 N THR A 29 -11.439 4.165 7.403 1.00 0.00 N ATOM 465 CA THR A 29 -10.782 3.996 8.686 1.00 0.00 C ATOM 466 C THR A 29 -9.353 4.535 8.597 1.00 0.00 C ATOM 467 O THR A 29 -8.975 5.408 9.381 1.00 0.00 O ATOM 468 CB THR A 29 -10.815 2.510 9.078 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.150 2.041 9.095 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.201 2.255 10.453 1.00 0.00 C ATOM 0 H THR A 29 -11.773 3.295 6.988 1.00 0.00 H new ATOM 0 HA THR A 29 -11.301 4.558 9.462 1.00 0.00 H new ATOM 0 HB THR A 29 -10.225 1.978 8.332 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.445 1.861 8.178 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.250 1.190 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.160 2.579 10.452 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.754 2.814 11.208 1.00 0.00 H new ATOM 478 N ILE A 30 -8.583 4.041 7.620 1.00 0.00 N ATOM 479 CA ILE A 30 -7.204 4.451 7.415 1.00 0.00 C ATOM 480 C ILE A 30 -7.143 5.967 7.186 1.00 0.00 C ATOM 481 O ILE A 30 -6.300 6.647 7.760 1.00 0.00 O ATOM 482 CB ILE A 30 -6.553 3.622 6.278 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.366 2.150 6.727 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.187 4.229 5.888 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.083 1.170 5.575 1.00 0.00 C ATOM 0 H ILE A 30 -8.908 3.343 6.951 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.615 4.245 8.308 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.212 3.647 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.544 2.101 7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.264 1.825 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.741 3.637 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.329 5.254 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.526 4.225 6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.965 0.163 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.915 1.186 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.168 1.466 5.062 1.00 0.00 H new ATOM 497 N ARG A 31 -8.022 6.515 6.345 1.00 0.00 N ATOM 498 CA ARG A 31 -8.057 7.937 6.023 1.00 0.00 C ATOM 499 C ARG A 31 -8.333 8.799 7.249 1.00 0.00 C ATOM 500 O ARG A 31 -7.688 9.835 7.401 1.00 0.00 O ATOM 501 CB ARG A 31 -9.071 8.180 4.894 1.00 0.00 C ATOM 502 CG ARG A 31 -8.853 9.532 4.209 1.00 0.00 C ATOM 503 CD ARG A 31 -9.995 9.828 3.233 1.00 0.00 C ATOM 504 NE ARG A 31 -9.830 11.176 2.657 1.00 0.00 N ATOM 505 CZ ARG A 31 -10.799 12.085 2.490 1.00 0.00 C ATOM 506 NH1 ARG A 31 -12.082 11.778 2.641 1.00 0.00 N ATOM 507 NH2 ARG A 31 -10.487 13.332 2.160 1.00 0.00 N ATOM 0 H ARG A 31 -8.739 5.973 5.863 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.071 8.240 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.990 7.382 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.082 8.138 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.794 10.321 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.903 9.527 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.007 9.083 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.953 9.759 3.749 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.891 11.440 2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.353 10.827 2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.797 12.493 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.510 13.597 2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.224 14.025 2.032 1.00 0.00 H new ATOM 521 N LYS A 32 -9.282 8.417 8.106 1.00 0.00 N ATOM 522 CA LYS A 32 -9.603 9.198 9.297 1.00 0.00 C ATOM 523 C LYS A 32 -8.444 9.132 10.291 1.00 0.00 C ATOM 524 O LYS A 32 -8.030 10.171 10.798 1.00 0.00 O ATOM 525 CB LYS A 32 -10.928 8.744 9.947 1.00 0.00 C ATOM 526 CG LYS A 32 -12.180 9.481 9.421 1.00 0.00 C ATOM 527 CD LYS A 32 -12.606 9.062 8.007 1.00 0.00 C ATOM 528 CE LYS A 32 -13.701 9.956 7.403 1.00 0.00 C ATOM 529 NZ LYS A 32 -15.080 9.582 7.794 1.00 0.00 N ATOM 0 H LYS A 32 -9.841 7.571 7.995 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.746 10.235 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.053 7.674 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.860 8.892 11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.008 9.302 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.987 10.554 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.734 9.079 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.963 8.033 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.518 10.988 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.622 9.922 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.727 10.368 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.374 8.737 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.108 9.378 8.813 1.00 0.00 H new ATOM 543 N LYS A 33 -7.907 7.941 10.577 1.00 0.00 N ATOM 544 CA LYS A 33 -6.810 7.780 11.535 1.00 0.00 C ATOM 545 C LYS A 33 -5.543 8.481 11.076 1.00 0.00 C ATOM 546 O LYS A 33 -4.913 9.192 11.858 1.00 0.00 O ATOM 547 CB LYS A 33 -6.524 6.288 11.779 1.00 0.00 C ATOM 548 CG LYS A 33 -7.597 5.571 12.610 1.00 0.00 C ATOM 549 CD LYS A 33 -7.652 6.101 14.049 1.00 0.00 C ATOM 550 CE LYS A 33 -8.588 5.231 14.880 1.00 0.00 C ATOM 551 NZ LYS A 33 -8.721 5.712 16.265 1.00 0.00 N ATOM 0 H LYS A 33 -8.219 7.067 10.153 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.127 8.246 12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.429 5.785 10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.563 6.191 12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.570 5.702 12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.391 4.501 12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.654 6.099 14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.000 7.134 14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.571 5.209 14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.215 4.207 14.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.367 5.088 16.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.788 5.709 16.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.102 6.680 16.261 1.00 0.00 H new ATOM 565 N ALA A 34 -5.175 8.294 9.812 1.00 0.00 N ATOM 566 CA ALA A 34 -3.983 8.895 9.251 1.00 0.00 C ATOM 567 C ALA A 34 -4.059 10.416 9.333 1.00 0.00 C ATOM 568 O ALA A 34 -3.148 11.065 9.850 1.00 0.00 O ATOM 569 CB ALA A 34 -3.845 8.445 7.798 1.00 0.00 C ATOM 0 H ALA A 34 -5.700 7.720 9.152 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.110 8.574 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.951 8.891 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.765 7.359 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.721 8.764 7.233 1.00 0.00 H new ATOM 575 N GLU A 35 -5.156 10.988 8.829 1.00 0.00 N ATOM 576 CA GLU A 35 -5.324 12.432 8.826 1.00 0.00 C ATOM 577 C GLU A 35 -5.363 12.992 10.248 1.00 0.00 C ATOM 578 O GLU A 35 -4.817 14.068 10.492 1.00 0.00 O ATOM 579 CB GLU A 35 -6.574 12.801 8.022 1.00 0.00 C ATOM 580 CG GLU A 35 -6.656 14.305 7.736 1.00 0.00 C ATOM 581 CD GLU A 35 -5.643 14.831 6.709 1.00 0.00 C ATOM 582 OE1 GLU A 35 -4.767 14.098 6.197 1.00 0.00 O ATOM 583 OE2 GLU A 35 -5.745 16.033 6.369 1.00 0.00 O ATOM 0 H GLU A 35 -5.934 10.470 8.421 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.461 12.891 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.572 12.253 7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.462 12.488 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.661 14.537 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.514 14.845 8.672 1.00 0.00 H new ATOM 590 N ASP A 36 -5.981 12.278 11.192 1.00 0.00 N ATOM 591 CA ASP A 36 -6.069 12.703 12.586 1.00 0.00 C ATOM 592 C ASP A 36 -4.660 12.756 13.171 1.00 0.00 C ATOM 593 O ASP A 36 -4.325 13.676 13.915 1.00 0.00 O ATOM 594 CB ASP A 36 -6.963 11.754 13.389 1.00 0.00 C ATOM 595 CG ASP A 36 -6.882 12.065 14.879 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.122 13.237 15.273 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.583 11.144 15.665 1.00 0.00 O ATOM 0 H ASP A 36 -6.436 11.384 11.007 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.521 13.694 12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.995 11.845 13.050 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.659 10.723 13.211 1.00 0.00 H new ATOM 602 N SER A 37 -3.817 11.791 12.803 1.00 0.00 N ATOM 603 CA SER A 37 -2.439 11.713 13.246 1.00 0.00 C ATOM 604 C SER A 37 -1.571 12.755 12.514 1.00 0.00 C ATOM 605 O SER A 37 -0.420 12.988 12.897 1.00 0.00 O ATOM 606 CB SER A 37 -1.997 10.258 13.054 1.00 0.00 C ATOM 607 OG SER A 37 -0.632 10.002 13.337 1.00 0.00 O ATOM 0 H SER A 37 -4.085 11.031 12.177 1.00 0.00 H new ATOM 0 HA SER A 37 -2.324 11.968 14.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.610 9.621 13.692 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.199 9.966 12.024 1.00 0.00 H new ATOM 0 HG SER A 37 -0.440 9.052 13.190 1.00 0.00 H new ATOM 613 N GLY A 38 -2.090 13.409 11.474 1.00 0.00 N ATOM 614 CA GLY A 38 -1.370 14.419 10.720 1.00 0.00 C ATOM 615 C GLY A 38 -0.360 13.831 9.736 1.00 0.00 C ATOM 616 O GLY A 38 0.400 14.595 9.140 1.00 0.00 O ATOM 0 H GLY A 38 -3.037 13.245 11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.085 15.033 10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.849 15.079 11.414 1.00 0.00 H new ATOM 620 N LEU A 39 -0.278 12.503 9.588 1.00 0.00 N ATOM 621 CA LEU A 39 0.643 11.842 8.668 1.00 0.00 C ATOM 622 C LEU A 39 -0.289 11.112 7.734 1.00 0.00 C ATOM 623 O LEU A 39 -1.050 10.255 8.180 1.00 0.00 O ATOM 624 CB LEU A 39 1.660 10.862 9.293 1.00 0.00 C ATOM 625 CG LEU A 39 2.135 11.111 10.729 1.00 0.00 C ATOM 626 CD1 LEU A 39 3.099 9.996 11.143 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.842 12.465 10.859 1.00 0.00 C ATOM 0 H LEU A 39 -0.860 11.852 10.114 1.00 0.00 H new ATOM 0 HA LEU A 39 1.298 12.581 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.222 9.864 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.541 10.846 8.651 1.00 0.00 H new ATOM 0 HG LEU A 39 1.261 11.119 11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.439 10.170 12.164 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.588 9.035 11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.957 9.989 10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.166 12.609 11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.710 12.487 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.154 13.263 10.580 1.00 0.00 H new ATOM 639 N THR A 40 -0.270 11.500 6.469 1.00 0.00 N ATOM 640 CA THR A 40 -1.094 10.954 5.404 1.00 0.00 C ATOM 641 C THR A 40 -1.110 9.432 5.402 1.00 0.00 C ATOM 642 O THR A 40 -0.207 8.766 5.906 1.00 0.00 O ATOM 643 CB THR A 40 -0.592 11.592 4.109 1.00 0.00 C ATOM 644 OG1 THR A 40 -1.561 11.527 3.092 1.00 0.00 O ATOM 645 CG2 THR A 40 0.736 10.972 3.677 1.00 0.00 C ATOM 0 H THR A 40 0.351 12.240 6.142 1.00 0.00 H new ATOM 0 HA THR A 40 -2.147 11.200 5.542 1.00 0.00 H new ATOM 0 HB THR A 40 -0.412 12.649 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.210 11.945 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.073 11.442 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.481 11.128 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.602 9.903 3.512 1.00 0.00 H new ATOM 653 N VAL A 41 -2.127 8.881 4.745 1.00 0.00 N ATOM 654 CA VAL A 41 -2.368 7.457 4.653 1.00 0.00 C ATOM 655 C VAL A 41 -1.135 6.639 4.296 1.00 0.00 C ATOM 656 O VAL A 41 -0.971 5.552 4.842 1.00 0.00 O ATOM 657 CB VAL A 41 -3.571 7.159 3.757 1.00 0.00 C ATOM 658 CG1 VAL A 41 -4.825 7.959 4.133 1.00 0.00 C ATOM 659 CG2 VAL A 41 -3.310 7.277 2.256 1.00 0.00 C ATOM 0 H VAL A 41 -2.824 9.437 4.249 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.621 7.122 5.659 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.757 6.104 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.639 7.698 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.114 7.723 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.614 9.025 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.224 7.046 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.993 8.293 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.527 6.576 1.967 1.00 0.00 H new ATOM 669 N SER A 42 -0.262 7.120 3.409 1.00 0.00 N ATOM 670 CA SER A 42 0.929 6.362 3.070 1.00 0.00 C ATOM 671 C SER A 42 1.850 6.266 4.289 1.00 0.00 C ATOM 672 O SER A 42 2.237 5.157 4.649 1.00 0.00 O ATOM 673 CB SER A 42 1.594 6.881 1.793 1.00 0.00 C ATOM 674 OG SER A 42 1.683 8.292 1.760 1.00 0.00 O ATOM 0 H SER A 42 -0.359 8.013 2.925 1.00 0.00 H new ATOM 0 HA SER A 42 0.652 5.338 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.594 6.456 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.028 6.536 0.927 1.00 0.00 H new ATOM 0 HG SER A 42 2.116 8.573 0.927 1.00 0.00 H new ATOM 680 N ALA A 43 2.188 7.393 4.925 1.00 0.00 N ATOM 681 CA ALA A 43 3.025 7.441 6.119 1.00 0.00 C ATOM 682 C ALA A 43 2.397 6.575 7.214 1.00 0.00 C ATOM 683 O ALA A 43 3.099 5.802 7.856 1.00 0.00 O ATOM 684 CB ALA A 43 3.179 8.887 6.594 1.00 0.00 C ATOM 0 H ALA A 43 1.879 8.314 4.614 1.00 0.00 H new ATOM 0 HA ALA A 43 4.016 7.052 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.805 8.912 7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.644 9.481 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.198 9.300 6.828 1.00 0.00 H new ATOM 690 N TYR A 44 1.078 6.669 7.394 1.00 0.00 N ATOM 691 CA TYR A 44 0.333 5.895 8.374 1.00 0.00 C ATOM 692 C TYR A 44 0.542 4.396 8.091 1.00 0.00 C ATOM 693 O TYR A 44 0.955 3.656 8.979 1.00 0.00 O ATOM 694 CB TYR A 44 -1.142 6.290 8.308 1.00 0.00 C ATOM 695 CG TYR A 44 -2.038 5.505 9.242 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.193 5.892 10.586 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.724 4.381 8.754 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.045 5.172 11.439 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.603 3.682 9.594 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.768 4.068 10.942 1.00 0.00 C ATOM 701 OH TYR A 44 -4.624 3.387 11.751 1.00 0.00 O ATOM 0 H TYR A 44 0.491 7.300 6.848 1.00 0.00 H new ATOM 0 HA TYR A 44 0.688 6.100 9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.233 7.351 8.542 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.497 6.157 7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.653 6.748 10.964 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.575 4.056 7.735 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.146 5.463 12.474 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.159 2.841 9.206 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.892 2.552 11.314 1.00 0.00 H new ATOM 711 N ILE A 45 0.305 3.957 6.844 1.00 0.00 N ATOM 712 CA ILE A 45 0.448 2.578 6.371 1.00 0.00 C ATOM 713 C ILE A 45 1.844 2.054 6.702 1.00 0.00 C ATOM 714 O ILE A 45 1.973 1.097 7.463 1.00 0.00 O ATOM 715 CB ILE A 45 0.129 2.490 4.847 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.395 2.489 4.583 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.807 1.311 4.111 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.042 1.104 4.646 1.00 0.00 C ATOM 0 H ILE A 45 -0.006 4.588 6.106 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.271 1.941 6.886 1.00 0.00 H new ATOM 0 HB ILE A 45 0.567 3.394 4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.879 3.137 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.582 2.921 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.528 1.331 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.890 1.400 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.482 0.370 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.111 1.192 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.588 0.456 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.889 0.676 5.637 1.00 0.00 H new ATOM 730 N ARG A 46 2.891 2.655 6.124 1.00 0.00 N ATOM 731 CA ARG A 46 4.260 2.217 6.349 1.00 0.00 C ATOM 732 C ARG A 46 4.610 2.212 7.824 1.00 0.00 C ATOM 733 O ARG A 46 5.232 1.252 8.257 1.00 0.00 O ATOM 734 CB ARG A 46 5.285 2.975 5.489 1.00 0.00 C ATOM 735 CG ARG A 46 5.178 4.501 5.469 1.00 0.00 C ATOM 736 CD ARG A 46 6.498 5.260 5.351 1.00 0.00 C ATOM 737 NE ARG A 46 7.369 5.040 6.517 1.00 0.00 N ATOM 738 CZ ARG A 46 7.445 5.816 7.606 1.00 0.00 C ATOM 739 NH1 ARG A 46 6.946 7.048 7.595 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.026 5.364 8.709 1.00 0.00 N ATOM 0 H ARG A 46 2.807 3.452 5.493 1.00 0.00 H new ATOM 0 HA ARG A 46 4.317 1.183 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.283 2.709 5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.200 2.615 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.539 4.790 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.676 4.823 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.018 4.944 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.295 6.326 5.247 1.00 0.00 H new ATOM 0 HE ARG A 46 7.972 4.218 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.500 7.410 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.009 7.631 8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.417 4.422 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.082 5.958 9.536 1.00 0.00 H new ATOM 754 N ASN A 47 4.230 3.231 8.590 1.00 0.00 N ATOM 755 CA ASN A 47 4.520 3.285 10.015 1.00 0.00 C ATOM 756 C ASN A 47 3.863 2.112 10.739 1.00 0.00 C ATOM 757 O ASN A 47 4.561 1.370 11.424 1.00 0.00 O ATOM 758 CB ASN A 47 4.049 4.621 10.603 1.00 0.00 C ATOM 759 CG ASN A 47 4.010 4.548 12.119 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.026 4.306 12.764 1.00 0.00 O ATOM 761 ND2 ASN A 47 2.842 4.715 12.705 1.00 0.00 N ATOM 0 H ASN A 47 3.714 4.038 8.240 1.00 0.00 H new ATOM 0 HA ASN A 47 5.598 3.209 10.155 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.720 5.421 10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.059 4.866 10.219 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.766 4.644 13.720 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.014 4.915 12.144 1.00 0.00 H new ATOM 768 N ALA A 48 2.549 1.939 10.585 1.00 0.00 N ATOM 769 CA ALA A 48 1.796 0.870 11.234 1.00 0.00 C ATOM 770 C ALA A 48 2.300 -0.518 10.831 1.00 0.00 C ATOM 771 O ALA A 48 2.270 -1.446 11.628 1.00 0.00 O ATOM 772 CB ALA A 48 0.306 1.024 10.898 1.00 0.00 C ATOM 0 H ALA A 48 1.974 2.545 10.000 1.00 0.00 H new ATOM 0 HA ALA A 48 1.942 0.956 12.311 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.260 0.227 11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.050 1.990 11.256 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.168 0.964 9.818 1.00 0.00 H new ATOM 778 N ALA A 49 2.775 -0.666 9.595 1.00 0.00 N ATOM 779 CA ALA A 49 3.276 -1.940 9.094 1.00 0.00 C ATOM 780 C ALA A 49 4.618 -2.344 9.720 1.00 0.00 C ATOM 781 O ALA A 49 4.960 -3.527 9.736 1.00 0.00 O ATOM 782 CB ALA A 49 3.433 -1.847 7.579 1.00 0.00 C ATOM 0 H ALA A 49 2.822 0.094 8.916 1.00 0.00 H new ATOM 0 HA ALA A 49 2.552 -2.707 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.808 -2.795 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.466 -1.627 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.138 -1.052 7.334 1.00 0.00 H new ATOM 788 N LEU A 50 5.419 -1.370 10.155 1.00 0.00 N ATOM 789 CA LEU A 50 6.725 -1.614 10.766 1.00 0.00 C ATOM 790 C LEU A 50 6.578 -1.708 12.274 1.00 0.00 C ATOM 791 O LEU A 50 7.301 -2.471 12.914 1.00 0.00 O ATOM 792 CB LEU A 50 7.682 -0.455 10.460 1.00 0.00 C ATOM 793 CG LEU A 50 7.905 -0.229 8.959 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.416 1.198 8.750 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.818 -1.265 8.317 1.00 0.00 C ATOM 0 H LEU A 50 5.177 -0.381 10.092 1.00 0.00 H new ATOM 0 HA LEU A 50 7.121 -2.545 10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.287 0.459 10.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.642 -0.651 10.937 1.00 0.00 H new ATOM 0 HG LEU A 50 6.950 -0.356 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.579 1.374 7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.679 1.907 9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.355 1.331 9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.931 -1.043 7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.795 -1.238 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.383 -2.257 8.436 1.00 0.00 H new ATOM 807 N ASN A 51 5.670 -0.908 12.828 1.00 0.00 N ATOM 808 CA ASN A 51 5.367 -0.836 14.250 1.00 0.00 C ATOM 809 C ASN A 51 4.074 -1.565 14.532 1.00 0.00 C ATOM 810 O ASN A 51 4.121 -2.814 14.572 1.00 0.00 O ATOM 811 CB ASN A 51 5.300 0.628 14.702 1.00 0.00 C ATOM 812 CG ASN A 51 6.664 1.268 14.621 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.620 0.761 15.197 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.814 2.358 13.896 1.00 0.00 N ATOM 0 H ASN A 51 5.103 -0.267 12.273 1.00 0.00 H new ATOM 0 HA ASN A 51 6.160 -1.321 14.819 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.596 1.176 14.076 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.926 0.683 15.724 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.734 2.790 13.809 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.010 2.770 13.422 1.00 0.00 H new ATOM 1055 N THR B 15 -13.448 0.962 -3.746 1.00 0.00 N ATOM 1056 CA THR B 15 -12.106 0.523 -3.465 1.00 0.00 C ATOM 1057 C THR B 15 -11.132 1.672 -3.672 1.00 0.00 C ATOM 1058 O THR B 15 -11.397 2.670 -4.348 1.00 0.00 O ATOM 1059 CB THR B 15 -11.701 -0.611 -4.442 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.553 -1.317 -4.027 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.322 -0.142 -5.851 1.00 0.00 C ATOM 0 HA THR B 15 -12.073 0.170 -2.434 1.00 0.00 H new ATOM 0 HB THR B 15 -12.606 -1.218 -4.448 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.460 -1.247 -3.054 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.054 -1.004 -6.462 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.169 0.373 -6.303 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.473 0.539 -5.792 1.00 0.00 H new ATOM 1069 N VAL B 16 -9.946 1.451 -3.136 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.820 2.339 -3.283 1.00 0.00 C ATOM 1071 C VAL B 16 -7.985 1.619 -4.337 1.00 0.00 C ATOM 1072 O VAL B 16 -7.977 0.385 -4.374 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.023 2.464 -1.979 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -6.909 3.511 -2.088 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -8.944 2.852 -0.834 1.00 0.00 C ATOM 0 H VAL B 16 -9.739 0.626 -2.573 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.109 3.356 -3.547 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.570 1.491 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.369 3.568 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.220 3.227 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.345 4.484 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.365 2.937 0.086 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.417 3.809 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.712 2.088 -0.710 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.292 2.350 -5.190 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.411 1.834 -6.208 1.00 0.00 C ATOM 1087 C VAL B 17 -5.348 2.915 -6.302 1.00 0.00 C ATOM 1088 O VAL B 17 -5.564 4.004 -6.833 1.00 0.00 O ATOM 1089 CB VAL B 17 -7.170 1.460 -7.484 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.758 2.640 -8.249 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -6.267 0.637 -8.411 1.00 0.00 C ATOM 0 H VAL B 17 -7.334 3.369 -5.187 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.939 0.876 -5.988 1.00 0.00 H new ATOM 0 HB VAL B 17 -8.024 0.871 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.276 2.276 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.462 3.173 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.957 3.316 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.816 0.376 -9.316 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.387 1.223 -8.677 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.955 -0.274 -7.900 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.224 2.653 -5.656 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.107 3.576 -5.610 1.00 0.00 C ATOM 1103 C ARG B 18 -1.807 2.794 -5.681 1.00 0.00 C ATOM 1104 O ARG B 18 -1.782 1.588 -5.433 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.249 4.410 -4.316 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.094 5.389 -4.068 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.415 6.504 -3.070 1.00 0.00 C ATOM 1108 NE ARG B 18 -3.482 7.430 -3.494 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.413 8.388 -4.429 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -2.451 8.373 -5.346 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -4.309 9.370 -4.439 1.00 0.00 N ATOM 0 H ARG B 18 -4.062 1.785 -5.145 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.100 4.261 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.183 4.971 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.324 3.731 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.231 4.830 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.805 5.840 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.703 6.051 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.507 7.079 -2.886 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.379 7.329 -3.019 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.755 7.627 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.409 9.107 -6.053 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.048 9.394 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.258 10.100 -5.150 1.00 0.00 H new ATOM 1125 N THR B 19 -0.741 3.484 -6.048 1.00 0.00 N ATOM 1126 CA THR B 19 0.615 2.987 -6.162 1.00 0.00 C ATOM 1127 C THR B 19 1.288 3.674 -4.966 1.00 0.00 C ATOM 1128 O THR B 19 1.235 4.905 -4.849 1.00 0.00 O ATOM 1129 CB THR B 19 1.201 3.340 -7.546 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.215 3.788 -8.468 1.00 0.00 O ATOM 1131 CG2 THR B 19 1.885 2.136 -8.191 1.00 0.00 C ATOM 0 H THR B 19 -0.807 4.473 -6.290 1.00 0.00 H new ATOM 0 HA THR B 19 0.740 1.905 -6.121 1.00 0.00 H new ATOM 0 HB THR B 19 1.914 4.140 -7.348 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.641 3.999 -9.325 1.00 0.00 H new ATOM 0 HG21 THR B 19 2.285 2.423 -9.164 1.00 0.00 H new ATOM 0 HG22 THR B 19 2.698 1.793 -7.551 1.00 0.00 H new ATOM 0 HG23 THR B 19 1.161 1.332 -8.320 1.00 0.00 H new ATOM 1139 N LEU B 20 1.880 2.908 -4.049 1.00 0.00 N ATOM 1140 CA LEU B 20 2.507 3.410 -2.826 1.00 0.00 C ATOM 1141 C LEU B 20 3.860 2.736 -2.644 1.00 0.00 C ATOM 1142 O LEU B 20 3.902 1.513 -2.530 1.00 0.00 O ATOM 1143 CB LEU B 20 1.487 3.076 -1.730 1.00 0.00 C ATOM 1144 CG LEU B 20 1.685 3.728 -0.357 1.00 0.00 C ATOM 1145 CD1 LEU B 20 0.281 3.960 0.220 1.00 0.00 C ATOM 1146 CD2 LEU B 20 2.496 2.862 0.599 1.00 0.00 C ATOM 0 H LEU B 20 1.938 1.894 -4.139 1.00 0.00 H new ATOM 0 HA LEU B 20 2.725 4.478 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.498 3.354 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.484 1.995 -1.592 1.00 0.00 H new ATOM 0 HG LEU B 20 2.247 4.654 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU B 20 0.364 4.425 1.202 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.282 4.615 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.237 3.005 0.313 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.603 3.376 1.554 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.984 1.912 0.753 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.483 2.677 0.174 1.00 0.00 H new ATOM 1158 N ARG B 21 4.968 3.479 -2.754 1.00 0.00 N ATOM 1159 CA ARG B 21 6.321 2.919 -2.622 1.00 0.00 C ATOM 1160 C ARG B 21 6.748 2.689 -1.170 1.00 0.00 C ATOM 1161 O ARG B 21 6.137 3.237 -0.254 1.00 0.00 O ATOM 1162 CB ARG B 21 7.341 3.807 -3.366 1.00 0.00 C ATOM 1163 CG ARG B 21 7.024 3.863 -4.870 1.00 0.00 C ATOM 1164 CD ARG B 21 8.228 4.087 -5.780 1.00 0.00 C ATOM 1165 NE ARG B 21 8.821 5.435 -5.658 1.00 0.00 N ATOM 1166 CZ ARG B 21 8.488 6.541 -6.338 1.00 0.00 C ATOM 1167 NH1 ARG B 21 7.525 6.520 -7.255 1.00 0.00 N ATOM 1168 NH2 ARG B 21 9.137 7.674 -6.115 1.00 0.00 N ATOM 0 H ARG B 21 4.954 4.482 -2.936 1.00 0.00 H new ATOM 0 HA ARG B 21 6.297 1.932 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.325 4.814 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.347 3.416 -3.216 1.00 0.00 H new ATOM 0 HG2 ARG B 21 6.540 2.930 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG B 21 6.304 4.663 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.990 3.342 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.926 3.925 -6.815 1.00 0.00 H new ATOM 0 HE ARG B 21 9.573 5.536 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG B 21 7.026 5.652 -7.451 1.00 0.00 H new ATOM 0 HH12 ARG B 21 7.285 7.372 -7.762 1.00 0.00 H new ATOM 0 HH21 ARG B 21 9.889 7.704 -5.427 1.00 0.00 H new ATOM 0 HH22 ARG B 21 8.885 8.516 -6.632 1.00 0.00 H new ATOM 1182 N PHE B 22 7.785 1.865 -0.984 1.00 0.00 N ATOM 1183 CA PHE B 22 8.399 1.487 0.297 1.00 0.00 C ATOM 1184 C PHE B 22 9.905 1.375 0.066 1.00 0.00 C ATOM 1185 O PHE B 22 10.306 1.243 -1.091 1.00 0.00 O ATOM 1186 CB PHE B 22 7.874 0.136 0.822 1.00 0.00 C ATOM 1187 CG PHE B 22 6.411 0.079 1.221 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.405 0.046 0.238 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.050 0.020 2.580 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.052 -0.002 0.612 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.701 -0.063 2.959 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.698 -0.072 1.973 1.00 0.00 C ATOM 0 H PHE B 22 8.248 1.415 -1.773 1.00 0.00 H new ATOM 0 HA PHE B 22 8.151 2.243 1.042 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.046 -0.617 0.053 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.473 -0.149 1.687 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.674 0.058 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.818 0.039 3.339 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.282 0.015 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.434 -0.120 4.004 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.658 -0.132 2.259 1.00 0.00 H new ATOM 1202 N SER B 23 10.723 1.428 1.117 1.00 0.00 N ATOM 1203 CA SER B 23 12.186 1.330 1.043 1.00 0.00 C ATOM 1204 C SER B 23 12.619 -0.150 1.133 1.00 0.00 C ATOM 1205 O SER B 23 11.766 -0.989 1.425 1.00 0.00 O ATOM 1206 CB SER B 23 12.774 2.182 2.183 1.00 0.00 C ATOM 1207 OG SER B 23 12.101 3.414 2.326 1.00 0.00 O ATOM 0 H SER B 23 10.380 1.543 2.071 1.00 0.00 H new ATOM 0 HA SER B 23 12.561 1.709 0.092 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.714 1.626 3.119 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.831 2.367 1.989 1.00 0.00 H new ATOM 0 HG SER B 23 11.426 3.338 3.032 1.00 0.00 H new ATOM 1213 N PRO B 24 13.912 -0.509 0.965 1.00 0.00 N ATOM 1214 CA PRO B 24 14.334 -1.910 1.016 1.00 0.00 C ATOM 1215 C PRO B 24 14.199 -2.501 2.415 1.00 0.00 C ATOM 1216 O PRO B 24 13.630 -3.578 2.571 1.00 0.00 O ATOM 1217 CB PRO B 24 15.782 -1.944 0.513 1.00 0.00 C ATOM 1218 CG PRO B 24 16.293 -0.542 0.822 1.00 0.00 C ATOM 1219 CD PRO B 24 15.056 0.335 0.637 1.00 0.00 C ATOM 0 HA PRO B 24 13.692 -2.529 0.389 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.368 -2.708 1.025 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.832 -2.165 -0.553 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.687 -0.472 1.836 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.097 -0.250 0.147 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.096 1.208 1.288 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.988 0.703 -0.387 1.00 0.00 H new ATOM 1227 N VAL B 25 14.683 -1.782 3.430 1.00 0.00 N ATOM 1228 CA VAL B 25 14.640 -2.210 4.824 1.00 0.00 C ATOM 1229 C VAL B 25 13.190 -2.241 5.327 1.00 0.00 C ATOM 1230 O VAL B 25 12.853 -3.027 6.214 1.00 0.00 O ATOM 1231 CB VAL B 25 15.542 -1.277 5.667 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.662 -1.753 7.124 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.961 -1.170 5.082 1.00 0.00 C ATOM 0 H VAL B 25 15.123 -0.871 3.301 1.00 0.00 H new ATOM 0 HA VAL B 25 15.025 -3.225 4.920 1.00 0.00 H new ATOM 0 HB VAL B 25 15.058 -0.300 5.641 1.00 0.00 H new ATOM 0 HG11 VAL B 25 16.304 -1.069 7.679 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.673 -1.775 7.582 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.094 -2.754 7.145 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.562 -0.506 5.703 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.420 -2.158 5.058 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.908 -0.770 4.069 1.00 0.00 H new ATOM 1243 N GLU B 26 12.327 -1.363 4.807 1.00 0.00 N ATOM 1244 CA GLU B 26 10.925 -1.319 5.208 1.00 0.00 C ATOM 1245 C GLU B 26 10.238 -2.571 4.663 1.00 0.00 C ATOM 1246 O GLU B 26 9.555 -3.284 5.398 1.00 0.00 O ATOM 1247 CB GLU B 26 10.257 -0.043 4.675 1.00 0.00 C ATOM 1248 CG GLU B 26 10.736 1.215 5.416 1.00 0.00 C ATOM 1249 CD GLU B 26 10.019 2.472 4.921 1.00 0.00 C ATOM 1250 OE1 GLU B 26 10.015 2.709 3.685 1.00 0.00 O ATOM 1251 OE2 GLU B 26 9.460 3.228 5.749 1.00 0.00 O ATOM 0 H GLU B 26 12.581 -0.670 4.103 1.00 0.00 H new ATOM 0 HA GLU B 26 10.840 -1.299 6.294 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.471 0.060 3.611 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.175 -0.132 4.775 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.563 1.095 6.485 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.811 1.331 5.278 1.00 0.00 H new ATOM 1258 N ASP B 27 10.461 -2.838 3.374 1.00 0.00 N ATOM 1259 CA ASP B 27 9.921 -3.980 2.654 1.00 0.00 C ATOM 1260 C ASP B 27 10.389 -5.280 3.281 1.00 0.00 C ATOM 1261 O ASP B 27 9.582 -6.174 3.467 1.00 0.00 O ATOM 1262 CB ASP B 27 10.410 -3.928 1.211 1.00 0.00 C ATOM 1263 CG ASP B 27 10.019 -5.180 0.420 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.816 -5.356 0.122 1.00 0.00 O ATOM 1265 OD2 ASP B 27 10.949 -5.934 0.027 1.00 0.00 O ATOM 0 H ASP B 27 11.044 -2.240 2.788 1.00 0.00 H new ATOM 0 HA ASP B 27 8.833 -3.939 2.695 1.00 0.00 H new ATOM 0 HB2 ASP B 27 9.996 -3.047 0.721 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.494 -3.818 1.201 1.00 0.00 H new ATOM 1270 N GLU B 28 11.670 -5.377 3.636 1.00 0.00 N ATOM 1271 CA GLU B 28 12.276 -6.552 4.241 1.00 0.00 C ATOM 1272 C GLU B 28 11.527 -6.932 5.519 1.00 0.00 C ATOM 1273 O GLU B 28 11.096 -8.078 5.639 1.00 0.00 O ATOM 1274 CB GLU B 28 13.777 -6.294 4.444 1.00 0.00 C ATOM 1275 CG GLU B 28 14.585 -7.589 4.581 1.00 0.00 C ATOM 1276 CD GLU B 28 16.067 -7.375 4.243 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.391 -6.842 3.152 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.941 -7.824 5.014 1.00 0.00 O ATOM 0 H GLU B 28 12.332 -4.612 3.504 1.00 0.00 H new ATOM 0 HA GLU B 28 12.192 -7.418 3.584 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.160 -5.719 3.601 1.00 0.00 H new ATOM 0 HB3 GLU B 28 13.920 -5.685 5.337 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.495 -7.967 5.599 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.168 -8.349 3.921 1.00 0.00 H new ATOM 1285 N THR B 29 11.332 -5.988 6.447 1.00 0.00 N ATOM 1286 CA THR B 29 10.611 -6.238 7.692 1.00 0.00 C ATOM 1287 C THR B 29 9.212 -6.764 7.364 1.00 0.00 C ATOM 1288 O THR B 29 8.842 -7.846 7.819 1.00 0.00 O ATOM 1289 CB THR B 29 10.555 -4.943 8.527 1.00 0.00 C ATOM 1290 OG1 THR B 29 11.817 -4.720 9.127 1.00 0.00 O ATOM 1291 CG2 THR B 29 9.505 -4.952 9.645 1.00 0.00 C ATOM 0 H THR B 29 11.671 -5.031 6.352 1.00 0.00 H new ATOM 0 HA THR B 29 11.127 -6.992 8.286 1.00 0.00 H new ATOM 0 HB THR B 29 10.276 -4.155 7.827 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.786 -3.897 9.657 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.535 -4.003 10.180 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.514 -5.093 9.213 1.00 0.00 H new ATOM 0 HG23 THR B 29 9.718 -5.766 10.338 1.00 0.00 H new ATOM 1299 N ILE B 30 8.452 -6.014 6.562 1.00 0.00 N ATOM 1300 CA ILE B 30 7.095 -6.375 6.181 1.00 0.00 C ATOM 1301 C ILE B 30 7.055 -7.779 5.575 1.00 0.00 C ATOM 1302 O ILE B 30 6.243 -8.614 5.968 1.00 0.00 O ATOM 1303 CB ILE B 30 6.528 -5.298 5.229 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.277 -3.987 6.004 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.223 -5.795 4.582 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.080 -2.765 5.101 1.00 0.00 C ATOM 0 H ILE B 30 8.769 -5.133 6.158 1.00 0.00 H new ATOM 0 HA ILE B 30 6.459 -6.407 7.066 1.00 0.00 H new ATOM 0 HB ILE B 30 7.255 -5.105 4.440 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.394 -4.110 6.632 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.119 -3.803 6.671 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.833 -5.027 3.913 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.422 -6.704 4.014 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.489 -6.006 5.360 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.909 -1.882 5.716 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.971 -2.615 4.492 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.220 -2.927 4.452 1.00 0.00 H new ATOM 1318 N ARG B 31 7.916 -8.042 4.596 1.00 0.00 N ATOM 1319 CA ARG B 31 8.003 -9.307 3.895 1.00 0.00 C ATOM 1320 C ARG B 31 8.248 -10.457 4.858 1.00 0.00 C ATOM 1321 O ARG B 31 7.561 -11.473 4.734 1.00 0.00 O ATOM 1322 CB ARG B 31 9.094 -9.210 2.818 1.00 0.00 C ATOM 1323 CG ARG B 31 9.025 -10.413 1.883 1.00 0.00 C ATOM 1324 CD ARG B 31 10.125 -10.390 0.834 1.00 0.00 C ATOM 1325 NE ARG B 31 9.953 -11.534 -0.076 1.00 0.00 N ATOM 1326 CZ ARG B 31 10.467 -11.696 -1.298 1.00 0.00 C ATOM 1327 NH1 ARG B 31 11.206 -10.751 -1.869 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.230 -12.832 -1.941 1.00 0.00 N ATOM 0 H ARG B 31 8.592 -7.354 4.263 1.00 0.00 H new ATOM 0 HA ARG B 31 7.051 -9.518 3.407 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.970 -8.290 2.247 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.076 -9.163 3.289 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.102 -11.330 2.467 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.054 -10.431 1.388 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.089 -9.456 0.273 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.102 -10.436 1.314 1.00 0.00 H new ATOM 0 HE ARG B 31 9.370 -12.296 0.269 1.00 0.00 H new ATOM 0 HH11 ARG B 31 11.391 -9.879 -1.373 1.00 0.00 H new ATOM 0 HH12 ARG B 31 11.588 -10.897 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.666 -13.559 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG B 31 10.612 -12.978 -2.875 1.00 0.00 H new ATOM 1342 N LYS B 32 9.217 -10.319 5.767 1.00 0.00 N ATOM 1343 CA LYS B 32 9.541 -11.364 6.730 1.00 0.00 C ATOM 1344 C LYS B 32 8.385 -11.578 7.685 1.00 0.00 C ATOM 1345 O LYS B 32 8.048 -12.724 7.951 1.00 0.00 O ATOM 1346 CB LYS B 32 10.815 -11.061 7.540 1.00 0.00 C ATOM 1347 CG LYS B 32 12.089 -11.629 6.902 1.00 0.00 C ATOM 1348 CD LYS B 32 12.592 -10.768 5.740 1.00 0.00 C ATOM 1349 CE LYS B 32 13.819 -11.341 5.029 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.927 -11.658 5.949 1.00 0.00 N ATOM 0 H LYS B 32 9.794 -9.482 5.853 1.00 0.00 H new ATOM 0 HA LYS B 32 9.726 -12.268 6.150 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.921 -9.981 7.647 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.705 -11.472 8.544 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.869 -11.704 7.659 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.894 -12.640 6.544 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.787 -10.648 5.015 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.833 -9.774 6.116 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.531 -12.245 4.492 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.167 -10.625 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.757 -11.962 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.169 -10.813 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.637 -12.423 6.591 1.00 0.00 H new ATOM 1364 N LYS B 33 7.784 -10.522 8.234 1.00 0.00 N ATOM 1365 CA LYS B 33 6.679 -10.672 9.177 1.00 0.00 C ATOM 1366 C LYS B 33 5.496 -11.353 8.499 1.00 0.00 C ATOM 1367 O LYS B 33 4.932 -12.286 9.070 1.00 0.00 O ATOM 1368 CB LYS B 33 6.316 -9.320 9.810 1.00 0.00 C ATOM 1369 CG LYS B 33 7.448 -8.745 10.680 1.00 0.00 C ATOM 1370 CD LYS B 33 7.613 -9.463 12.029 1.00 0.00 C ATOM 1371 CE LYS B 33 9.087 -9.425 12.442 1.00 0.00 C ATOM 1372 NZ LYS B 33 9.299 -9.931 13.810 1.00 0.00 N ATOM 0 H LYS B 33 8.045 -9.555 8.041 1.00 0.00 H new ATOM 0 HA LYS B 33 6.988 -11.320 9.997 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.073 -8.608 9.021 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.420 -9.438 10.419 1.00 0.00 H new ATOM 0 HG2 LYS B 33 8.386 -8.806 10.128 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.254 -7.688 10.862 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.997 -8.981 12.789 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.272 -10.495 11.949 1.00 0.00 H new ATOM 0 HE2 LYS B 33 9.673 -10.020 11.742 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.454 -8.401 12.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 10.311 -9.885 14.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.762 -9.348 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 8.974 -10.917 13.870 1.00 0.00 H new ATOM 1386 N ALA B 34 5.158 -10.936 7.280 1.00 0.00 N ATOM 1387 CA ALA B 34 4.070 -11.485 6.485 1.00 0.00 C ATOM 1388 C ALA B 34 4.288 -12.992 6.263 1.00 0.00 C ATOM 1389 O ALA B 34 3.448 -13.818 6.634 1.00 0.00 O ATOM 1390 CB ALA B 34 3.991 -10.675 5.183 1.00 0.00 C ATOM 0 H ALA B 34 5.653 -10.181 6.806 1.00 0.00 H new ATOM 0 HA ALA B 34 3.111 -11.400 6.995 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.183 -11.062 4.562 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.799 -9.628 5.417 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.935 -10.759 4.644 1.00 0.00 H new ATOM 1396 N GLU B 35 5.457 -13.359 5.728 1.00 0.00 N ATOM 1397 CA GLU B 35 5.837 -14.742 5.425 1.00 0.00 C ATOM 1398 C GLU B 35 6.000 -15.603 6.685 1.00 0.00 C ATOM 1399 O GLU B 35 5.996 -16.830 6.608 1.00 0.00 O ATOM 1400 CB GLU B 35 7.149 -14.738 4.622 1.00 0.00 C ATOM 1401 CG GLU B 35 7.435 -16.026 3.834 1.00 0.00 C ATOM 1402 CD GLU B 35 6.493 -16.229 2.650 1.00 0.00 C ATOM 1403 OE1 GLU B 35 6.631 -15.482 1.650 1.00 0.00 O ATOM 1404 OE2 GLU B 35 5.606 -17.111 2.685 1.00 0.00 O ATOM 0 H GLU B 35 6.184 -12.685 5.488 1.00 0.00 H new ATOM 0 HA GLU B 35 5.030 -15.186 4.842 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.127 -13.901 3.924 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.977 -14.559 5.309 1.00 0.00 H new ATOM 0 HG2 GLU B 35 8.463 -16.002 3.472 1.00 0.00 H new ATOM 0 HG3 GLU B 35 7.353 -16.881 4.506 1.00 0.00 H new ATOM 1411 N ASP B 36 6.128 -14.991 7.855 1.00 0.00 N ATOM 1412 CA ASP B 36 6.294 -15.643 9.152 1.00 0.00 C ATOM 1413 C ASP B 36 4.987 -15.652 9.945 1.00 0.00 C ATOM 1414 O ASP B 36 4.957 -16.091 11.093 1.00 0.00 O ATOM 1415 CB ASP B 36 7.400 -14.896 9.890 1.00 0.00 C ATOM 1416 CG ASP B 36 7.842 -15.502 11.213 1.00 0.00 C ATOM 1417 OD1 ASP B 36 8.157 -16.713 11.258 1.00 0.00 O ATOM 1418 OD2 ASP B 36 8.122 -14.701 12.128 1.00 0.00 O ATOM 0 H ASP B 36 6.119 -13.974 7.931 1.00 0.00 H new ATOM 0 HA ASP B 36 6.568 -16.690 9.023 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.268 -14.831 9.234 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.063 -13.876 10.074 1.00 0.00 H new ATOM 1423 N SER B 37 3.893 -15.176 9.342 1.00 0.00 N ATOM 1424 CA SER B 37 2.574 -15.118 9.956 1.00 0.00 C ATOM 1425 C SER B 37 1.499 -15.774 9.078 1.00 0.00 C ATOM 1426 O SER B 37 0.340 -15.808 9.494 1.00 0.00 O ATOM 1427 CB SER B 37 2.260 -13.644 10.248 1.00 0.00 C ATOM 1428 OG SER B 37 1.144 -13.487 11.105 1.00 0.00 O ATOM 0 H SER B 37 3.907 -14.812 8.389 1.00 0.00 H new ATOM 0 HA SER B 37 2.573 -15.688 10.885 1.00 0.00 H new ATOM 0 HB2 SER B 37 3.132 -13.173 10.702 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.069 -13.124 9.309 1.00 0.00 H new ATOM 0 HG SER B 37 0.476 -14.174 10.901 1.00 0.00 H new ATOM 1434 N GLY B 38 1.832 -16.287 7.889 1.00 0.00 N ATOM 1435 CA GLY B 38 0.859 -16.905 6.990 1.00 0.00 C ATOM 1436 C GLY B 38 -0.114 -15.858 6.447 1.00 0.00 C ATOM 1437 O GLY B 38 -1.285 -16.160 6.191 1.00 0.00 O ATOM 0 H GLY B 38 2.785 -16.284 7.525 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.377 -17.391 6.163 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.307 -17.681 7.521 1.00 0.00 H new ATOM 1441 N LEU B 39 0.342 -14.606 6.335 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.411 -13.466 5.866 1.00 0.00 C ATOM 1443 C LEU B 39 0.307 -12.935 4.650 1.00 0.00 C ATOM 1444 O LEU B 39 1.507 -12.684 4.728 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.414 -12.350 6.929 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.008 -12.722 8.294 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -0.880 -11.524 9.235 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.461 -13.179 8.185 1.00 0.00 C ATOM 0 H LEU B 39 1.300 -14.361 6.586 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.438 -13.762 5.651 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.613 -12.017 7.080 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -0.969 -11.500 6.533 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.449 -13.567 8.696 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -1.300 -11.779 10.208 1.00 0.00 H new ATOM 0 HD12 LEU B 39 0.172 -11.263 9.351 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -1.421 -10.674 8.818 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -2.838 -13.432 9.176 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.064 -12.376 7.761 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.519 -14.056 7.540 1.00 0.00 H new ATOM 1460 N THR B 40 -0.371 -12.799 3.516 1.00 0.00 N ATOM 1461 CA THR B 40 0.292 -12.222 2.355 1.00 0.00 C ATOM 1462 C THR B 40 0.629 -10.781 2.774 1.00 0.00 C ATOM 1463 O THR B 40 -0.082 -10.188 3.592 1.00 0.00 O ATOM 1464 CB THR B 40 -0.630 -12.269 1.116 1.00 0.00 C ATOM 1465 OG1 THR B 40 -0.109 -11.494 0.047 1.00 0.00 O ATOM 1466 CG2 THR B 40 -2.032 -11.716 1.397 1.00 0.00 C ATOM 0 H THR B 40 -1.345 -13.070 3.377 1.00 0.00 H new ATOM 0 HA THR B 40 1.188 -12.771 2.067 1.00 0.00 H new ATOM 0 HB THR B 40 -0.686 -13.326 0.854 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.715 -11.547 -0.721 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.635 -11.775 0.491 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.504 -12.303 2.185 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.956 -10.676 1.716 1.00 0.00 H new ATOM 1474 N VAL B 41 1.662 -10.176 2.183 1.00 0.00 N ATOM 1475 CA VAL B 41 2.069 -8.804 2.480 1.00 0.00 C ATOM 1476 C VAL B 41 0.850 -7.867 2.443 1.00 0.00 C ATOM 1477 O VAL B 41 0.721 -7.000 3.301 1.00 0.00 O ATOM 1478 CB VAL B 41 3.199 -8.386 1.516 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.500 -6.886 1.604 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.481 -9.172 1.835 1.00 0.00 C ATOM 0 H VAL B 41 2.244 -10.630 1.479 1.00 0.00 H new ATOM 0 HA VAL B 41 2.471 -8.735 3.491 1.00 0.00 H new ATOM 0 HB VAL B 41 2.860 -8.610 0.504 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.301 -6.634 0.909 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.605 -6.320 1.346 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.808 -6.636 2.619 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.273 -8.870 1.149 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.789 -8.965 2.860 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.291 -10.239 1.722 1.00 0.00 H new ATOM 1490 N SER B 42 -0.086 -8.058 1.511 1.00 0.00 N ATOM 1491 CA SER B 42 -1.278 -7.226 1.423 1.00 0.00 C ATOM 1492 C SER B 42 -2.139 -7.348 2.686 1.00 0.00 C ATOM 1493 O SER B 42 -2.592 -6.329 3.201 1.00 0.00 O ATOM 1494 CB SER B 42 -2.042 -7.578 0.144 1.00 0.00 C ATOM 1495 OG SER B 42 -1.127 -7.546 -0.937 1.00 0.00 O ATOM 0 H SER B 42 -0.036 -8.790 0.802 1.00 0.00 H new ATOM 0 HA SER B 42 -0.990 -6.176 1.365 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.495 -8.566 0.231 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.853 -6.869 -0.022 1.00 0.00 H new ATOM 0 HG SER B 42 -1.595 -7.771 -1.768 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.394 -8.569 3.175 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.178 -8.816 4.383 1.00 0.00 C ATOM 1503 C ALA B 43 -2.442 -8.240 5.585 1.00 0.00 C ATOM 1504 O ALA B 43 -3.072 -7.647 6.455 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.416 -10.313 4.599 1.00 0.00 C ATOM 0 H ALA B 43 -2.054 -9.423 2.732 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.148 -8.333 4.267 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.002 -10.461 5.506 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.958 -10.722 3.746 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.458 -10.823 4.699 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.118 -8.411 5.623 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.271 -7.906 6.690 1.00 0.00 C ATOM 1513 C TYR B 44 -0.448 -6.379 6.765 1.00 0.00 C ATOM 1514 O TYR B 44 -0.755 -5.850 7.829 1.00 0.00 O ATOM 1515 CB TYR B 44 1.172 -8.353 6.442 1.00 0.00 C ATOM 1516 CG TYR B 44 2.116 -7.872 7.512 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.711 -6.606 7.379 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.347 -8.646 8.665 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.555 -6.115 8.384 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.156 -8.135 9.697 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.777 -6.873 9.555 1.00 0.00 C ATOM 1522 OH TYR B 44 4.606 -6.413 10.530 1.00 0.00 O ATOM 0 H TYR B 44 -0.603 -8.913 4.899 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.552 -8.311 7.662 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.208 -9.441 6.392 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.504 -7.978 5.474 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.517 -6.010 6.500 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.905 -9.627 8.757 1.00 0.00 H new ATOM 0 HE1 TYR B 44 4.036 -5.156 8.263 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.303 -8.709 10.600 1.00 0.00 H new ATOM 0 HH TYR B 44 4.818 -5.471 10.362 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.316 -5.684 5.626 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.474 -4.234 5.501 1.00 0.00 C ATOM 1534 C ILE B 45 -1.867 -3.848 6.011 1.00 0.00 C ATOM 1535 O ILE B 45 -1.975 -3.092 6.972 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.235 -3.794 4.031 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.256 -3.844 3.628 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.829 -2.412 3.694 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.126 -2.746 4.240 1.00 0.00 C ATOM 0 H ILE B 45 -0.089 -6.134 4.739 1.00 0.00 H new ATOM 0 HA ILE B 45 0.267 -3.712 6.106 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.775 -4.532 3.438 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.663 -4.813 3.917 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.326 -3.780 2.542 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.623 -2.172 2.651 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.907 -2.430 3.856 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.378 -1.656 4.336 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.155 -2.864 3.899 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.751 -1.770 3.931 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.093 -2.819 5.327 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.920 -4.370 5.365 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.326 -4.139 5.686 1.00 0.00 C ATOM 1553 C ARG B 46 -4.551 -4.219 7.182 1.00 0.00 C ATOM 1554 O ARG B 46 -4.906 -3.236 7.810 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.214 -5.217 5.025 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.510 -5.025 3.540 1.00 0.00 C ATOM 1557 CD ARG B 46 -5.813 -6.356 2.825 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.873 -7.162 3.461 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.034 -8.485 3.320 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -6.233 -9.178 2.516 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -7.992 -9.122 3.971 1.00 0.00 N ATOM 0 H ARG B 46 -2.803 -4.994 4.567 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.587 -3.148 5.315 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -4.732 -6.186 5.156 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -6.162 -5.257 5.561 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -6.360 -4.352 3.426 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -4.657 -4.544 3.061 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -6.103 -6.144 1.796 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -4.899 -6.948 2.783 1.00 0.00 H new ATOM 0 HE ARG B 46 -7.539 -6.671 4.058 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -5.491 -8.703 2.002 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -6.361 -10.185 2.413 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -8.619 -8.606 4.589 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.105 -10.129 3.855 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.360 -5.410 7.729 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.558 -5.714 9.124 1.00 0.00 C ATOM 1577 C ASN B 47 -3.803 -4.785 10.063 1.00 0.00 C ATOM 1578 O ASN B 47 -4.439 -4.246 10.968 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.238 -7.186 9.323 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.507 -7.617 10.741 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.657 -7.825 11.113 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.451 -7.790 11.496 1.00 0.00 N ATOM 0 H ASN B 47 -4.051 -6.217 7.186 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.598 -5.533 9.395 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.837 -7.786 8.638 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.192 -7.370 9.077 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.559 -8.117 12.456 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.521 -7.598 11.124 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.504 -4.561 9.846 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.718 -3.673 10.700 1.00 0.00 C ATOM 1591 C ALA B 48 -2.238 -2.230 10.631 1.00 0.00 C ATOM 1592 O ALA B 48 -2.148 -1.491 11.605 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.244 -3.722 10.276 1.00 0.00 C ATOM 0 H ALA B 48 -1.975 -4.985 9.083 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.814 -4.015 11.731 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.340 -3.059 10.914 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.129 -4.742 10.374 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.153 -3.400 9.239 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.778 -1.823 9.479 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.310 -0.483 9.254 1.00 0.00 C ATOM 1601 C ALA B 49 -4.706 -0.271 9.851 1.00 0.00 C ATOM 1602 O ALA B 49 -5.155 0.864 9.956 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.358 -0.213 7.754 1.00 0.00 C ATOM 0 H ALA B 49 -2.858 -2.430 8.663 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.643 0.213 9.762 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.755 0.787 7.577 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.352 -0.283 7.339 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.001 -0.949 7.272 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.422 -1.336 10.202 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.762 -1.245 10.782 1.00 0.00 C ATOM 1611 C LEU B 50 -6.688 -1.421 12.295 1.00 0.00 C ATOM 1612 O LEU B 50 -7.462 -0.807 13.035 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.657 -2.326 10.162 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.785 -2.192 8.632 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.144 -3.557 8.044 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.768 -1.110 8.197 1.00 0.00 C ATOM 0 H LEU B 50 -5.088 -2.293 10.092 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.186 -0.264 10.569 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.252 -3.309 10.403 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.649 -2.271 10.611 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.821 -1.865 8.241 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.237 -3.474 6.961 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.361 -4.275 8.287 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.091 -3.897 8.464 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.808 -1.071 7.108 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.759 -1.340 8.588 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.441 -0.145 8.583 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.807 -2.320 12.742 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.574 -2.621 14.156 1.00 0.00 C ATOM 1630 C ASN B 51 -4.659 -1.574 14.770 1.00 0.00 C ATOM 1631 O ASN B 51 -4.578 -0.438 14.264 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.008 -4.036 14.352 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.073 -5.080 14.095 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -6.806 -5.484 14.999 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.224 -5.495 12.857 1.00 0.00 N ATOM 0 H ASN B 51 -5.222 -2.872 12.115 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.535 -2.590 14.670 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.167 -4.193 13.676 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.625 -4.142 15.367 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -6.959 -6.164 12.630 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.606 -5.148 12.124 1.00 0.00 H new