USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.63) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.47! C(o=-2.5!,f=-3.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.21 K(o=-1.2,f=-6.3!) USER MOD Single : A 38 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.0476 (180deg=-0.615) USER MOD Single : A 42 THR OG1 : rot -83:sc= 0.876 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.55) USER MOD Single : B 29 LYS NZ :NH3+ 163:sc= 0.0159 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.064) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.048) USER MOD Single : B 37 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : B 38 THR OG1 : rot 111:sc= 0.659 USER MOD Single : B 41 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.18) USER MOD Single : B 42 THR OG1 : rot 84:sc= 0.0326 USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -0.705 3.976 2.468 1.00 0.00 N ATOM 262 CA VAL A 16 -1.360 5.285 2.749 1.00 0.00 C ATOM 263 C VAL A 16 -0.335 6.401 2.555 1.00 0.00 C ATOM 264 O VAL A 16 0.732 6.377 3.129 1.00 0.00 O ATOM 265 CB VAL A 16 -1.880 5.312 4.190 1.00 0.00 C ATOM 266 CG1 VAL A 16 -3.176 6.122 4.247 1.00 0.00 C ATOM 267 CG2 VAL A 16 -2.155 3.885 4.673 1.00 0.00 C ATOM 0 HA VAL A 16 -2.200 5.427 2.068 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.128 5.771 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.548 6.142 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.983 7.141 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.922 5.661 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.524 3.913 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.903 3.421 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.234 3.304 4.635 1.00 0.00 H new ATOM 277 N GLU A 17 -0.645 7.374 1.744 1.00 0.00 N ATOM 278 CA GLU A 17 0.319 8.486 1.514 1.00 0.00 C ATOM 279 C GLU A 17 0.546 9.243 2.824 1.00 0.00 C ATOM 280 O GLU A 17 1.620 9.744 3.081 1.00 0.00 O ATOM 281 CB GLU A 17 -0.248 9.439 0.459 1.00 0.00 C ATOM 282 CG GLU A 17 -0.197 8.770 -0.918 1.00 0.00 C ATOM 283 CD GLU A 17 -1.519 8.047 -1.186 1.00 0.00 C ATOM 284 OE1 GLU A 17 -2.557 8.644 -0.950 1.00 0.00 O ATOM 285 OE2 GLU A 17 -1.472 6.909 -1.624 1.00 0.00 O ATOM 0 H GLU A 17 -1.524 7.447 1.231 1.00 0.00 H new ATOM 0 HA GLU A 17 1.268 8.081 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.276 9.704 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.326 10.366 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.017 9.518 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.631 8.062 -0.959 1.00 0.00 H new ATOM 292 N ILE A 18 -0.457 9.326 3.655 1.00 0.00 N ATOM 293 CA ILE A 18 -0.295 10.049 4.948 1.00 0.00 C ATOM 294 C ILE A 18 0.617 9.238 5.870 1.00 0.00 C ATOM 295 O ILE A 18 1.527 9.766 6.478 1.00 0.00 O ATOM 296 CB ILE A 18 -1.663 10.225 5.612 1.00 0.00 C ATOM 297 CG1 ILE A 18 -2.630 10.880 4.622 1.00 0.00 C ATOM 298 CG2 ILE A 18 -1.521 11.118 6.845 1.00 0.00 C ATOM 299 CD1 ILE A 18 -4.039 10.901 5.219 1.00 0.00 C ATOM 0 H ILE A 18 -1.381 8.925 3.494 1.00 0.00 H new ATOM 0 HA ILE A 18 0.147 11.028 4.764 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.049 9.250 5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.304 11.896 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.631 10.330 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.495 11.243 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.832 10.656 7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.135 12.092 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.726 11.368 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.364 9.880 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.032 11.470 6.149 1.00 0.00 H new ATOM 311 N LEU A 19 0.382 7.958 5.980 1.00 0.00 N ATOM 312 CA LEU A 19 1.240 7.121 6.865 1.00 0.00 C ATOM 313 C LEU A 19 2.636 7.000 6.252 1.00 0.00 C ATOM 314 O LEU A 19 3.606 6.771 6.942 1.00 0.00 O ATOM 315 CB LEU A 19 0.620 5.731 7.021 1.00 0.00 C ATOM 316 CG LEU A 19 0.349 5.460 8.502 1.00 0.00 C ATOM 317 CD1 LEU A 19 -0.736 6.415 9.003 1.00 0.00 C ATOM 318 CD2 LEU A 19 -0.123 4.015 8.679 1.00 0.00 C ATOM 0 H LEU A 19 -0.364 7.458 5.497 1.00 0.00 H new ATOM 0 HA LEU A 19 1.315 7.589 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.308 5.669 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.292 4.973 6.618 1.00 0.00 H new ATOM 0 HG LEU A 19 1.264 5.615 9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.930 6.223 10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.401 7.445 8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.651 6.259 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.316 3.822 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.038 3.859 8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.649 3.334 8.321 1.00 0.00 H new ATOM 330 N LYS A 20 2.747 7.172 4.963 1.00 0.00 N ATOM 331 CA LYS A 20 4.085 7.088 4.315 1.00 0.00 C ATOM 332 C LYS A 20 4.854 8.358 4.655 1.00 0.00 C ATOM 333 O LYS A 20 6.014 8.322 5.009 1.00 0.00 O ATOM 334 CB LYS A 20 3.921 6.983 2.796 1.00 0.00 C ATOM 335 CG LYS A 20 5.275 7.209 2.117 1.00 0.00 C ATOM 336 CD LYS A 20 5.260 8.546 1.372 1.00 0.00 C ATOM 337 CE LYS A 20 6.269 9.502 2.012 1.00 0.00 C ATOM 338 NZ LYS A 20 7.193 10.024 0.966 1.00 0.00 N ATOM 0 H LYS A 20 1.970 7.367 4.332 1.00 0.00 H new ATOM 0 HA LYS A 20 4.621 6.209 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.528 6.002 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.199 7.721 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.071 7.205 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.484 6.396 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.506 8.391 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.261 8.981 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.747 10.328 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.835 8.985 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.879 10.674 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.700 9.231 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.646 10.532 0.242 1.00 0.00 H new ATOM 352 N GLU A 21 4.200 9.482 4.568 1.00 0.00 N ATOM 353 CA GLU A 21 4.871 10.761 4.902 1.00 0.00 C ATOM 354 C GLU A 21 4.992 10.857 6.419 1.00 0.00 C ATOM 355 O GLU A 21 5.790 11.602 6.939 1.00 0.00 O ATOM 356 CB GLU A 21 4.042 11.935 4.377 1.00 0.00 C ATOM 357 CG GLU A 21 4.913 12.807 3.472 1.00 0.00 C ATOM 358 CD GLU A 21 4.225 12.985 2.117 1.00 0.00 C ATOM 359 OE1 GLU A 21 3.008 13.060 2.099 1.00 0.00 O ATOM 360 OE2 GLU A 21 4.928 13.043 1.122 1.00 0.00 O ATOM 0 H GLU A 21 3.226 9.567 4.278 1.00 0.00 H new ATOM 0 HA GLU A 21 5.858 10.796 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.179 11.566 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.659 12.525 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.080 13.779 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.891 12.346 3.337 1.00 0.00 H new ATOM 367 N GLN A 22 4.211 10.089 7.130 1.00 0.00 N ATOM 368 CA GLN A 22 4.288 10.116 8.615 1.00 0.00 C ATOM 369 C GLN A 22 5.510 9.309 9.046 1.00 0.00 C ATOM 370 O GLN A 22 6.241 9.693 9.936 1.00 0.00 O ATOM 371 CB GLN A 22 3.024 9.492 9.208 1.00 0.00 C ATOM 372 CG GLN A 22 2.334 10.504 10.125 1.00 0.00 C ATOM 373 CD GLN A 22 1.362 9.772 11.051 1.00 0.00 C ATOM 374 OE1 GLN A 22 0.457 9.103 10.594 1.00 0.00 O ATOM 375 NE2 GLN A 22 1.513 9.870 12.343 1.00 0.00 N ATOM 0 H GLN A 22 3.522 9.443 6.744 1.00 0.00 H new ATOM 0 HA GLN A 22 4.372 11.144 8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.347 9.189 8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.279 8.593 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.077 11.044 10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.799 11.244 9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.273 10.432 12.726 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.871 9.385 12.970 1.00 0.00 H new ATOM 384 N ILE A 23 5.749 8.201 8.398 1.00 0.00 N ATOM 385 CA ILE A 23 6.936 7.374 8.742 1.00 0.00 C ATOM 386 C ILE A 23 8.171 8.083 8.185 1.00 0.00 C ATOM 387 O ILE A 23 9.248 8.007 8.739 1.00 0.00 O ATOM 388 CB ILE A 23 6.782 5.970 8.126 1.00 0.00 C ATOM 389 CG1 ILE A 23 6.093 5.046 9.136 1.00 0.00 C ATOM 390 CG2 ILE A 23 8.152 5.380 7.770 1.00 0.00 C ATOM 391 CD1 ILE A 23 4.894 5.764 9.761 1.00 0.00 C ATOM 0 H ILE A 23 5.170 7.834 7.643 1.00 0.00 H new ATOM 0 HA ILE A 23 7.034 7.256 9.821 1.00 0.00 H new ATOM 0 HB ILE A 23 6.185 6.054 7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.764 4.132 8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.798 4.752 9.913 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.020 4.389 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.651 6.028 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.761 5.304 8.671 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.408 5.103 10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.235 6.665 10.271 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.185 6.036 8.979 1.00 0.00 H new ATOM 403 N ARG A 24 8.008 8.792 7.102 1.00 0.00 N ATOM 404 CA ARG A 24 9.154 9.533 6.514 1.00 0.00 C ATOM 405 C ARG A 24 9.457 10.731 7.413 1.00 0.00 C ATOM 406 O ARG A 24 10.595 11.105 7.614 1.00 0.00 O ATOM 407 CB ARG A 24 8.776 10.025 5.114 1.00 0.00 C ATOM 408 CG ARG A 24 9.923 9.743 4.142 1.00 0.00 C ATOM 409 CD ARG A 24 10.873 10.942 4.110 1.00 0.00 C ATOM 410 NE ARG A 24 10.280 12.026 3.275 1.00 0.00 N ATOM 411 CZ ARG A 24 10.987 13.083 2.980 1.00 0.00 C ATOM 412 NH1 ARG A 24 11.043 14.085 3.814 1.00 0.00 N ATOM 413 NH2 ARG A 24 11.640 13.138 1.851 1.00 0.00 N ATOM 0 H ARG A 24 7.126 8.889 6.599 1.00 0.00 H new ATOM 0 HA ARG A 24 10.028 8.886 6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.868 9.526 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.562 11.093 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.462 8.847 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.529 9.551 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.051 11.305 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.839 10.643 3.704 1.00 0.00 H new ATOM 0 HE ARG A 24 9.322 11.942 2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.534 14.043 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.596 14.911 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.598 12.355 1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.192 13.964 1.621 1.00 0.00 H new ATOM 427 N GLU A 25 8.433 11.323 7.969 1.00 0.00 N ATOM 428 CA GLU A 25 8.638 12.489 8.871 1.00 0.00 C ATOM 429 C GLU A 25 9.025 11.977 10.253 1.00 0.00 C ATOM 430 O GLU A 25 9.608 12.684 11.046 1.00 0.00 O ATOM 431 CB GLU A 25 7.345 13.301 8.974 1.00 0.00 C ATOM 432 CG GLU A 25 7.552 14.679 8.341 1.00 0.00 C ATOM 433 CD GLU A 25 7.683 14.530 6.824 1.00 0.00 C ATOM 434 OE1 GLU A 25 6.857 13.847 6.242 1.00 0.00 O ATOM 435 OE2 GLU A 25 8.609 15.101 6.271 1.00 0.00 O ATOM 0 H GLU A 25 7.460 11.046 7.835 1.00 0.00 H new ATOM 0 HA GLU A 25 9.427 13.127 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.533 12.776 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.054 13.410 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.712 15.331 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.447 15.148 8.750 1.00 0.00 H new ATOM 442 N LEU A 26 8.718 10.743 10.543 1.00 0.00 N ATOM 443 CA LEU A 26 9.090 10.179 11.866 1.00 0.00 C ATOM 444 C LEU A 26 10.556 9.767 11.795 1.00 0.00 C ATOM 445 O LEU A 26 11.288 9.840 12.761 1.00 0.00 O ATOM 446 CB LEU A 26 8.220 8.958 12.175 1.00 0.00 C ATOM 447 CG LEU A 26 7.321 9.261 13.376 1.00 0.00 C ATOM 448 CD1 LEU A 26 8.184 9.452 14.626 1.00 0.00 C ATOM 449 CD2 LEU A 26 6.524 10.540 13.107 1.00 0.00 C ATOM 0 H LEU A 26 8.226 10.103 9.920 1.00 0.00 H new ATOM 0 HA LEU A 26 8.937 10.916 12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.612 8.703 11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.850 8.094 12.388 1.00 0.00 H new ATOM 0 HG LEU A 26 6.634 8.430 13.533 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.543 9.668 15.481 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.752 8.542 14.819 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.872 10.283 14.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.884 10.756 13.962 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.212 11.371 12.949 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.908 10.405 12.218 1.00 0.00 H new ATOM 461 N VAL A 27 10.992 9.356 10.635 1.00 0.00 N ATOM 462 CA VAL A 27 12.412 8.959 10.465 1.00 0.00 C ATOM 463 C VAL A 27 13.236 10.225 10.245 1.00 0.00 C ATOM 464 O VAL A 27 14.392 10.299 10.605 1.00 0.00 O ATOM 465 CB VAL A 27 12.547 8.038 9.252 1.00 0.00 C ATOM 466 CG1 VAL A 27 14.021 7.701 9.025 1.00 0.00 C ATOM 467 CG2 VAL A 27 11.765 6.747 9.503 1.00 0.00 C ATOM 0 H VAL A 27 10.419 9.279 9.795 1.00 0.00 H new ATOM 0 HA VAL A 27 12.765 8.428 11.349 1.00 0.00 H new ATOM 0 HB VAL A 27 12.150 8.541 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.115 7.044 8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.581 8.619 8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.419 7.199 9.907 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.861 6.090 8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.163 6.246 10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.713 6.984 9.664 1.00 0.00 H new ATOM 477 N GLU A 28 12.635 11.232 9.670 1.00 0.00 N ATOM 478 CA GLU A 28 13.368 12.506 9.443 1.00 0.00 C ATOM 479 C GLU A 28 13.386 13.289 10.753 1.00 0.00 C ATOM 480 O GLU A 28 14.330 13.985 11.065 1.00 0.00 O ATOM 481 CB GLU A 28 12.653 13.326 8.367 1.00 0.00 C ATOM 482 CG GLU A 28 13.586 14.427 7.857 1.00 0.00 C ATOM 483 CD GLU A 28 14.346 13.924 6.629 1.00 0.00 C ATOM 484 OE1 GLU A 28 15.148 13.018 6.784 1.00 0.00 O ATOM 485 OE2 GLU A 28 14.112 14.452 5.554 1.00 0.00 O ATOM 0 H GLU A 28 11.667 11.225 9.348 1.00 0.00 H new ATOM 0 HA GLU A 28 14.386 12.300 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.352 12.679 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.743 13.766 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.010 15.317 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.288 14.715 8.640 1.00 0.00 H new ATOM 492 N LYS A 29 12.348 13.159 11.531 1.00 0.00 N ATOM 493 CA LYS A 29 12.294 13.870 12.834 1.00 0.00 C ATOM 494 C LYS A 29 13.154 13.103 13.828 1.00 0.00 C ATOM 495 O LYS A 29 13.774 13.673 14.699 1.00 0.00 O ATOM 496 CB LYS A 29 10.848 13.922 13.334 1.00 0.00 C ATOM 497 CG LYS A 29 10.101 15.051 12.622 1.00 0.00 C ATOM 498 CD LYS A 29 10.128 16.311 13.489 1.00 0.00 C ATOM 499 CE LYS A 29 9.577 17.492 12.687 1.00 0.00 C ATOM 500 NZ LYS A 29 10.616 18.557 12.591 1.00 0.00 N ATOM 0 H LYS A 29 11.531 12.587 11.317 1.00 0.00 H new ATOM 0 HA LYS A 29 12.663 14.890 12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.353 12.969 13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.830 14.083 14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.562 15.253 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.071 14.753 12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.532 16.159 14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.147 16.521 13.813 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.285 17.163 11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.681 17.885 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.241 19.359 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.874 18.878 13.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.459 18.178 12.114 1.00 0.00 H new ATOM 514 N ASN A 30 13.206 11.807 13.688 1.00 0.00 N ATOM 515 CA ASN A 30 14.039 10.991 14.608 1.00 0.00 C ATOM 516 C ASN A 30 15.507 11.188 14.241 1.00 0.00 C ATOM 517 O ASN A 30 16.364 11.261 15.094 1.00 0.00 O ATOM 518 CB ASN A 30 13.669 9.513 14.465 1.00 0.00 C ATOM 519 CG ASN A 30 14.538 8.680 15.408 1.00 0.00 C ATOM 520 OD1 ASN A 30 15.737 8.598 15.234 1.00 0.00 O ATOM 521 ND2 ASN A 30 13.980 8.057 16.410 1.00 0.00 N ATOM 0 H ASN A 30 12.705 11.279 12.973 1.00 0.00 H new ATOM 0 HA ASN A 30 13.867 11.302 15.639 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.615 9.366 14.699 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.815 9.188 13.435 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.551 7.501 17.047 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.973 8.126 16.556 1.00 0.00 H new ATOM 528 N SER A 31 15.799 11.291 12.972 1.00 0.00 N ATOM 529 CA SER A 31 17.210 11.500 12.545 1.00 0.00 C ATOM 530 C SER A 31 17.629 12.919 12.921 1.00 0.00 C ATOM 531 O SER A 31 18.742 13.161 13.341 1.00 0.00 O ATOM 532 CB SER A 31 17.324 11.320 11.031 1.00 0.00 C ATOM 533 OG SER A 31 18.507 10.590 10.734 1.00 0.00 O ATOM 0 H SER A 31 15.120 11.239 12.213 1.00 0.00 H new ATOM 0 HA SER A 31 17.857 10.775 13.039 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.451 10.791 10.649 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.349 12.292 10.538 1.00 0.00 H new ATOM 0 HG SER A 31 18.583 10.471 9.764 1.00 0.00 H new ATOM 539 N GLN A 32 16.735 13.859 12.786 1.00 0.00 N ATOM 540 CA GLN A 32 17.072 15.261 13.148 1.00 0.00 C ATOM 541 C GLN A 32 17.155 15.361 14.671 1.00 0.00 C ATOM 542 O GLN A 32 17.917 16.135 15.212 1.00 0.00 O ATOM 543 CB GLN A 32 15.989 16.205 12.621 1.00 0.00 C ATOM 544 CG GLN A 32 16.629 17.530 12.200 1.00 0.00 C ATOM 545 CD GLN A 32 15.629 18.344 11.375 1.00 0.00 C ATOM 546 OE1 GLN A 32 14.569 18.693 11.855 1.00 0.00 O ATOM 547 NE2 GLN A 32 15.925 18.662 10.145 1.00 0.00 N ATOM 0 H GLN A 32 15.786 13.715 12.441 1.00 0.00 H new ATOM 0 HA GLN A 32 18.027 15.544 12.705 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.476 15.751 11.773 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.238 16.380 13.391 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.934 18.095 13.081 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.529 17.341 11.616 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.815 18.369 9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.266 19.204 9.586 1.00 0.00 H new ATOM 556 N LEU A 33 16.387 14.565 15.366 1.00 0.00 N ATOM 557 CA LEU A 33 16.436 14.595 16.852 1.00 0.00 C ATOM 558 C LEU A 33 17.600 13.724 17.311 1.00 0.00 C ATOM 559 O LEU A 33 18.084 13.847 18.414 1.00 0.00 O ATOM 560 CB LEU A 33 15.130 14.053 17.433 1.00 0.00 C ATOM 561 CG LEU A 33 14.370 15.189 18.119 1.00 0.00 C ATOM 562 CD1 LEU A 33 13.615 16.008 17.070 1.00 0.00 C ATOM 563 CD2 LEU A 33 13.374 14.603 19.123 1.00 0.00 C ATOM 0 H LEU A 33 15.729 13.896 14.967 1.00 0.00 H new ATOM 0 HA LEU A 33 16.570 15.620 17.197 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.520 13.618 16.641 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.340 13.257 18.148 1.00 0.00 H new ATOM 0 HG LEU A 33 15.077 15.834 18.641 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.074 16.817 17.560 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.324 16.426 16.356 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.908 15.365 16.546 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.832 15.412 19.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.668 13.957 18.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.912 14.022 19.872 1.00 0.00 H new ATOM 575 N GLU A 34 18.066 12.856 16.455 1.00 0.00 N ATOM 576 CA GLU A 34 19.218 11.993 16.823 1.00 0.00 C ATOM 577 C GLU A 34 20.488 12.817 16.643 1.00 0.00 C ATOM 578 O GLU A 34 21.438 12.690 17.386 1.00 0.00 O ATOM 579 CB GLU A 34 19.266 10.766 15.907 1.00 0.00 C ATOM 580 CG GLU A 34 19.647 9.531 16.724 1.00 0.00 C ATOM 581 CD GLU A 34 20.821 8.818 16.051 1.00 0.00 C ATOM 582 OE1 GLU A 34 20.961 8.956 14.847 1.00 0.00 O ATOM 583 OE2 GLU A 34 21.561 8.147 16.750 1.00 0.00 O ATOM 0 H GLU A 34 17.696 12.709 15.516 1.00 0.00 H new ATOM 0 HA GLU A 34 19.123 11.650 17.853 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.296 10.616 15.432 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.991 10.924 15.108 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.918 9.822 17.739 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.794 8.856 16.803 1.00 0.00 H new ATOM 590 N ARG A 35 20.495 13.683 15.665 1.00 0.00 N ATOM 591 CA ARG A 35 21.685 14.544 15.438 1.00 0.00 C ATOM 592 C ARG A 35 21.612 15.721 16.407 1.00 0.00 C ATOM 593 O ARG A 35 22.613 16.210 16.885 1.00 0.00 O ATOM 594 CB ARG A 35 21.685 15.060 13.997 1.00 0.00 C ATOM 595 CG ARG A 35 23.110 15.440 13.589 1.00 0.00 C ATOM 596 CD ARG A 35 23.233 16.963 13.514 1.00 0.00 C ATOM 597 NE ARG A 35 23.516 17.370 12.108 1.00 0.00 N ATOM 598 CZ ARG A 35 23.586 18.635 11.797 1.00 0.00 C ATOM 599 NH1 ARG A 35 22.695 19.470 12.255 1.00 0.00 N ATOM 600 NH2 ARG A 35 24.549 19.066 11.029 1.00 0.00 N ATOM 0 H ARG A 35 19.724 13.829 15.013 1.00 0.00 H new ATOM 0 HA ARG A 35 22.599 13.974 15.604 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.295 14.295 13.326 1.00 0.00 H new ATOM 0 HB3 ARG A 35 21.028 15.925 13.910 1.00 0.00 H new ATOM 0 HG2 ARG A 35 23.824 15.042 14.310 1.00 0.00 H new ATOM 0 HG3 ARG A 35 23.353 14.997 12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.311 17.430 13.861 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.032 17.307 14.171 1.00 0.00 H new ATOM 0 HE ARG A 35 23.655 16.660 11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.943 19.134 12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.750 20.459 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.247 18.414 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.604 20.055 10.786 1.00 0.00 H new ATOM 614 N GLU A 36 20.423 16.164 16.712 1.00 0.00 N ATOM 615 CA GLU A 36 20.267 17.294 17.667 1.00 0.00 C ATOM 616 C GLU A 36 20.571 16.780 19.072 1.00 0.00 C ATOM 617 O GLU A 36 21.175 17.456 19.879 1.00 0.00 O ATOM 618 CB GLU A 36 18.827 17.809 17.616 1.00 0.00 C ATOM 619 CG GLU A 36 18.789 19.170 16.921 1.00 0.00 C ATOM 620 CD GLU A 36 17.441 19.841 17.193 1.00 0.00 C ATOM 621 OE1 GLU A 36 16.436 19.307 16.754 1.00 0.00 O ATOM 622 OE2 GLU A 36 17.438 20.877 17.838 1.00 0.00 O ATOM 0 H GLU A 36 19.551 15.790 16.339 1.00 0.00 H new ATOM 0 HA GLU A 36 20.947 18.105 17.405 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.196 17.099 17.081 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.426 17.895 18.626 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.601 19.799 17.285 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.937 19.047 15.848 1.00 0.00 H new ATOM 629 N ASN A 37 20.161 15.577 19.358 1.00 0.00 N ATOM 630 CA ASN A 37 20.423 14.993 20.700 1.00 0.00 C ATOM 631 C ASN A 37 21.897 14.612 20.791 1.00 0.00 C ATOM 632 O ASN A 37 22.521 14.766 21.816 1.00 0.00 O ATOM 633 CB ASN A 37 19.557 13.747 20.900 1.00 0.00 C ATOM 634 CG ASN A 37 19.928 13.076 22.224 1.00 0.00 C ATOM 635 OD1 ASN A 37 19.647 13.600 23.284 1.00 0.00 O ATOM 636 ND2 ASN A 37 20.552 11.930 22.208 1.00 0.00 N ATOM 0 H ASN A 37 19.652 14.970 18.715 1.00 0.00 H new ATOM 0 HA ASN A 37 20.179 15.722 21.473 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.502 14.021 20.902 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.705 13.052 20.074 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.804 11.474 23.085 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.788 11.490 21.318 1.00 0.00 H new ATOM 643 N THR A 38 22.461 14.127 19.718 1.00 0.00 N ATOM 644 CA THR A 38 23.900 13.752 19.739 1.00 0.00 C ATOM 645 C THR A 38 24.732 15.032 19.770 1.00 0.00 C ATOM 646 O THR A 38 25.830 15.065 20.289 1.00 0.00 O ATOM 647 CB THR A 38 24.240 12.943 18.484 1.00 0.00 C ATOM 648 OG1 THR A 38 23.550 11.702 18.523 1.00 0.00 O ATOM 649 CG2 THR A 38 25.747 12.690 18.431 1.00 0.00 C ATOM 0 H THR A 38 21.986 13.975 18.828 1.00 0.00 H new ATOM 0 HA THR A 38 24.117 13.145 20.618 1.00 0.00 H new ATOM 0 HB THR A 38 23.937 13.500 17.598 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.615 11.839 18.262 1.00 0.00 H new ATOM 0 HG21 THR A 38 25.988 12.114 17.537 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.275 13.643 18.402 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.054 12.132 19.316 1.00 0.00 H new ATOM 657 N LEU A 39 24.201 16.094 19.229 1.00 0.00 N ATOM 658 CA LEU A 39 24.938 17.385 19.232 1.00 0.00 C ATOM 659 C LEU A 39 24.893 17.973 20.641 1.00 0.00 C ATOM 660 O LEU A 39 25.867 18.502 21.135 1.00 0.00 O ATOM 661 CB LEU A 39 24.274 18.353 18.250 1.00 0.00 C ATOM 662 CG LEU A 39 25.234 19.502 17.936 1.00 0.00 C ATOM 663 CD1 LEU A 39 26.162 19.098 16.788 1.00 0.00 C ATOM 664 CD2 LEU A 39 24.431 20.740 17.529 1.00 0.00 C ATOM 0 H LEU A 39 23.284 16.121 18.783 1.00 0.00 H new ATOM 0 HA LEU A 39 25.973 17.224 18.931 1.00 0.00 H new ATOM 0 HB2 LEU A 39 24.005 17.829 17.333 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.350 18.744 18.677 1.00 0.00 H new ATOM 0 HG LEU A 39 25.830 19.727 18.821 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.845 19.918 16.566 1.00 0.00 H new ATOM 0 HD12 LEU A 39 26.735 18.217 17.076 1.00 0.00 H new ATOM 0 HD13 LEU A 39 25.568 18.871 15.903 1.00 0.00 H new ATOM 0 HD21 LEU A 39 25.114 21.559 17.305 1.00 0.00 H new ATOM 0 HD22 LEU A 39 23.835 20.513 16.645 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.771 21.031 18.347 1.00 0.00 H new ATOM 676 N LEU A 40 23.770 17.874 21.298 1.00 0.00 N ATOM 677 CA LEU A 40 23.670 18.415 22.679 1.00 0.00 C ATOM 678 C LEU A 40 24.320 17.422 23.642 1.00 0.00 C ATOM 679 O LEU A 40 24.736 17.774 24.727 1.00 0.00 O ATOM 680 CB LEU A 40 22.198 18.618 23.052 1.00 0.00 C ATOM 681 CG LEU A 40 21.666 19.883 22.372 1.00 0.00 C ATOM 682 CD1 LEU A 40 20.272 20.209 22.912 1.00 0.00 C ATOM 683 CD2 LEU A 40 22.606 21.054 22.663 1.00 0.00 C ATOM 0 H LEU A 40 22.919 17.442 20.937 1.00 0.00 H new ATOM 0 HA LEU A 40 24.181 19.376 22.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.611 17.753 22.743 1.00 0.00 H new ATOM 0 HB3 LEU A 40 22.095 18.703 24.134 1.00 0.00 H new ATOM 0 HG LEU A 40 21.611 19.717 21.296 1.00 0.00 H new ATOM 0 HD11 LEU A 40 19.895 21.109 22.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.598 19.377 22.706 1.00 0.00 H new ATOM 0 HD13 LEU A 40 20.328 20.373 23.988 1.00 0.00 H new ATOM 0 HD21 LEU A 40 22.227 21.954 22.179 1.00 0.00 H new ATOM 0 HD22 LEU A 40 22.662 21.217 23.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 23.600 20.827 22.279 1.00 0.00 H new ATOM 695 N LYS A 41 24.436 16.185 23.239 1.00 0.00 N ATOM 696 CA LYS A 41 25.086 15.172 24.116 1.00 0.00 C ATOM 697 C LYS A 41 26.588 15.421 24.089 1.00 0.00 C ATOM 698 O LYS A 41 27.263 15.356 25.096 1.00 0.00 O ATOM 699 CB LYS A 41 24.801 13.763 23.586 1.00 0.00 C ATOM 700 CG LYS A 41 24.619 12.797 24.760 1.00 0.00 C ATOM 701 CD LYS A 41 25.521 11.574 24.570 1.00 0.00 C ATOM 702 CE LYS A 41 25.295 10.981 23.177 1.00 0.00 C ATOM 703 NZ LYS A 41 23.836 10.771 22.956 1.00 0.00 N ATOM 0 H LYS A 41 24.108 15.833 22.339 1.00 0.00 H new ATOM 0 HA LYS A 41 24.698 15.253 25.131 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.904 13.771 22.967 1.00 0.00 H new ATOM 0 HB3 LYS A 41 25.623 13.429 22.952 1.00 0.00 H new ATOM 0 HG2 LYS A 41 24.863 13.298 25.697 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.577 12.485 24.828 1.00 0.00 H new ATOM 0 HD2 LYS A 41 26.566 11.858 24.690 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.304 10.827 25.334 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.696 11.650 22.416 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.828 10.035 23.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.697 10.043 22.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.391 10.461 23.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 23.400 11.662 22.643 1.00 0.00 H new ATOM 717 N THR A 42 27.113 15.718 22.932 1.00 0.00 N ATOM 718 CA THR A 42 28.571 15.987 22.819 1.00 0.00 C ATOM 719 C THR A 42 28.863 17.382 23.370 1.00 0.00 C ATOM 720 O THR A 42 29.896 17.624 23.954 1.00 0.00 O ATOM 721 CB THR A 42 28.993 15.921 21.348 1.00 0.00 C ATOM 722 OG1 THR A 42 27.880 16.236 20.524 1.00 0.00 O ATOM 723 CG2 THR A 42 29.492 14.514 21.016 1.00 0.00 C ATOM 0 H THR A 42 26.592 15.786 22.058 1.00 0.00 H new ATOM 0 HA THR A 42 29.128 15.241 23.386 1.00 0.00 H new ATOM 0 HB THR A 42 29.795 16.638 21.170 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.333 15.434 20.392 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.791 14.472 19.969 1.00 0.00 H new ATOM 0 HG22 THR A 42 30.347 14.273 21.648 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.694 13.793 21.195 1.00 0.00 H new ATOM 731 N LEU A 43 27.956 18.303 23.194 1.00 0.00 N ATOM 732 CA LEU A 43 28.183 19.680 23.713 1.00 0.00 C ATOM 733 C LEU A 43 28.129 19.659 25.241 1.00 0.00 C ATOM 734 O LEU A 43 28.859 20.364 25.908 1.00 0.00 O ATOM 735 CB LEU A 43 27.097 20.616 23.178 1.00 0.00 C ATOM 736 CG LEU A 43 27.657 21.436 22.015 1.00 0.00 C ATOM 737 CD1 LEU A 43 28.096 20.497 20.891 1.00 0.00 C ATOM 738 CD2 LEU A 43 26.575 22.382 21.492 1.00 0.00 C ATOM 0 H LEU A 43 27.068 18.161 22.713 1.00 0.00 H new ATOM 0 HA LEU A 43 29.160 20.036 23.385 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.234 20.038 22.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.751 21.279 23.971 1.00 0.00 H new ATOM 0 HG LEU A 43 28.514 22.015 22.360 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.495 21.083 20.063 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.867 19.821 21.262 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.240 19.917 20.546 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.973 22.967 20.663 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.719 21.801 21.148 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.261 23.053 22.292 1.00 0.00 H new ATOM 750 N ALA A 44 27.271 18.852 25.801 1.00 0.00 N ATOM 751 CA ALA A 44 27.172 18.784 27.286 1.00 0.00 C ATOM 752 C ALA A 44 28.040 17.634 27.804 1.00 0.00 C ATOM 753 O ALA A 44 27.985 17.276 28.963 1.00 0.00 O ATOM 754 CB ALA A 44 25.715 18.544 27.690 1.00 0.00 C ATOM 0 H ALA A 44 26.634 18.237 25.295 1.00 0.00 H new ATOM 0 HA ALA A 44 27.519 19.724 27.716 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.642 18.494 28.776 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.096 19.362 27.322 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.368 17.605 27.260 1.00 0.00 H new ATOM 760 N SER A 45 28.835 17.047 26.953 1.00 0.00 N ATOM 761 CA SER A 45 29.698 15.916 27.398 1.00 0.00 C ATOM 762 C SER A 45 30.941 16.444 28.130 1.00 0.00 C ATOM 763 O SER A 45 31.238 16.010 29.225 1.00 0.00 O ATOM 764 CB SER A 45 30.135 15.101 26.182 1.00 0.00 C ATOM 765 OG SER A 45 29.926 13.719 26.442 1.00 0.00 O ATOM 0 H SER A 45 28.925 17.301 25.969 1.00 0.00 H new ATOM 0 HA SER A 45 29.127 15.287 28.081 1.00 0.00 H new ATOM 0 HB2 SER A 45 29.569 15.407 25.302 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.187 15.287 25.964 1.00 0.00 H new ATOM 0 HG SER A 45 30.204 13.194 25.663 1.00 0.00 H new ATOM 771 N PRO A 46 31.644 17.349 27.494 1.00 0.00 N ATOM 772 CA PRO A 46 32.877 17.934 28.054 1.00 0.00 C ATOM 773 C PRO A 46 32.565 18.982 29.128 1.00 0.00 C ATOM 774 O PRO A 46 32.445 18.670 30.296 1.00 0.00 O ATOM 775 CB PRO A 46 33.552 18.575 26.838 1.00 0.00 C ATOM 776 CG PRO A 46 32.436 18.816 25.795 1.00 0.00 C ATOM 777 CD PRO A 46 31.278 17.871 26.163 1.00 0.00 C ATOM 0 HA PRO A 46 33.505 17.194 28.550 1.00 0.00 H new ATOM 0 HB2 PRO A 46 34.036 19.512 27.112 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.326 17.922 26.435 1.00 0.00 H new ATOM 0 HG2 PRO A 46 32.108 19.855 25.812 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.797 18.612 24.787 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.326 18.401 26.191 1.00 0.00 H new ATOM 0 HD3 PRO A 46 31.174 17.067 25.435 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.550 -3.765 10.706 1.00 0.00 N ATOM 1508 CA GLU B 17 0.359 -4.016 11.858 1.00 0.00 C ATOM 1509 C GLU B 17 1.783 -3.605 11.482 1.00 0.00 C ATOM 1510 O GLU B 17 2.548 -3.162 12.310 1.00 0.00 O ATOM 1511 CB GLU B 17 0.337 -5.505 12.210 1.00 0.00 C ATOM 1512 CG GLU B 17 -0.702 -5.757 13.304 1.00 0.00 C ATOM 1513 CD GLU B 17 -1.274 -7.168 13.152 1.00 0.00 C ATOM 1514 OE1 GLU B 17 -2.109 -7.356 12.283 1.00 0.00 O ATOM 1515 OE2 GLU B 17 -0.867 -8.035 13.907 1.00 0.00 O ATOM 0 HA GLU B 17 0.026 -3.433 12.717 1.00 0.00 H new ATOM 0 HB2 GLU B 17 0.099 -6.095 11.325 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.323 -5.824 12.550 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -0.245 -5.643 14.287 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.502 -5.020 13.237 1.00 0.00 H new ATOM 1522 N ILE B 18 2.145 -3.747 10.236 1.00 0.00 N ATOM 1523 CA ILE B 18 3.520 -3.359 9.817 1.00 0.00 C ATOM 1524 C ILE B 18 3.626 -1.832 9.795 1.00 0.00 C ATOM 1525 O ILE B 18 4.690 -1.272 9.962 1.00 0.00 O ATOM 1526 CB ILE B 18 3.810 -3.919 8.423 1.00 0.00 C ATOM 1527 CG1 ILE B 18 2.805 -3.345 7.423 1.00 0.00 C ATOM 1528 CG2 ILE B 18 3.682 -5.443 8.449 1.00 0.00 C ATOM 1529 CD1 ILE B 18 3.483 -3.163 6.064 1.00 0.00 C ATOM 0 H ILE B 18 1.550 -4.114 9.493 1.00 0.00 H new ATOM 0 HA ILE B 18 4.247 -3.764 10.521 1.00 0.00 H new ATOM 0 HB ILE B 18 4.821 -3.642 8.125 1.00 0.00 H new ATOM 0 HG12 ILE B 18 1.949 -4.013 7.328 1.00 0.00 H new ATOM 0 HG13 ILE B 18 2.424 -2.389 7.782 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.888 -5.842 7.456 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.396 -5.856 9.162 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.670 -5.718 8.748 1.00 0.00 H new ATOM 0 HD11 ILE B 18 2.766 -2.754 5.352 1.00 0.00 H new ATOM 0 HD12 ILE B 18 4.325 -2.478 6.166 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.842 -4.127 5.704 1.00 0.00 H new ATOM 1541 N LEU B 19 2.527 -1.155 9.598 1.00 0.00 N ATOM 1542 CA LEU B 19 2.564 0.334 9.574 1.00 0.00 C ATOM 1543 C LEU B 19 2.369 0.864 10.997 1.00 0.00 C ATOM 1544 O LEU B 19 2.902 1.890 11.367 1.00 0.00 O ATOM 1545 CB LEU B 19 1.444 0.858 8.672 1.00 0.00 C ATOM 1546 CG LEU B 19 2.050 1.544 7.446 1.00 0.00 C ATOM 1547 CD1 LEU B 19 0.928 2.060 6.543 1.00 0.00 C ATOM 1548 CD2 LEU B 19 2.918 2.721 7.898 1.00 0.00 C ATOM 0 H LEU B 19 1.606 -1.569 9.453 1.00 0.00 H new ATOM 0 HA LEU B 19 3.525 0.672 9.187 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.800 0.036 8.360 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.819 1.561 9.223 1.00 0.00 H new ATOM 0 HG LEU B 19 2.661 0.829 6.896 1.00 0.00 H new ATOM 0 HD11 LEU B 19 1.360 2.549 5.670 1.00 0.00 H new ATOM 0 HD12 LEU B 19 0.307 1.224 6.221 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.317 2.775 7.094 1.00 0.00 H new ATOM 0 HD21 LEU B 19 3.350 3.211 7.025 1.00 0.00 H new ATOM 0 HD22 LEU B 19 2.305 3.435 8.448 1.00 0.00 H new ATOM 0 HD23 LEU B 19 3.718 2.357 8.543 1.00 0.00 H new ATOM 1560 N LYS B 20 1.618 0.161 11.800 1.00 0.00 N ATOM 1561 CA LYS B 20 1.395 0.610 13.203 1.00 0.00 C ATOM 1562 C LYS B 20 2.647 0.300 14.018 1.00 0.00 C ATOM 1563 O LYS B 20 2.984 0.996 14.954 1.00 0.00 O ATOM 1564 CB LYS B 20 0.198 -0.138 13.800 1.00 0.00 C ATOM 1565 CG LYS B 20 -1.000 0.809 13.912 1.00 0.00 C ATOM 1566 CD LYS B 20 -1.325 1.051 15.388 1.00 0.00 C ATOM 1567 CE LYS B 20 -1.787 -0.261 16.029 1.00 0.00 C ATOM 1568 NZ LYS B 20 -2.419 0.024 17.348 1.00 0.00 N ATOM 0 H LYS B 20 1.148 -0.707 11.544 1.00 0.00 H new ATOM 0 HA LYS B 20 1.191 1.681 13.222 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -0.059 -0.992 13.173 1.00 0.00 H new ATOM 0 HB3 LYS B 20 0.456 -0.531 14.783 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -0.777 1.755 13.418 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.864 0.381 13.404 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -0.446 1.433 15.907 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -2.104 1.808 15.481 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -2.498 -0.767 15.375 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -0.939 -0.933 16.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -2.732 -0.867 17.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -1.728 0.489 17.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -3.238 0.650 17.212 1.00 0.00 H new ATOM 1582 N GLU B 21 3.349 -0.737 13.654 1.00 0.00 N ATOM 1583 CA GLU B 21 4.590 -1.094 14.388 1.00 0.00 C ATOM 1584 C GLU B 21 5.714 -0.180 13.911 1.00 0.00 C ATOM 1585 O GLU B 21 6.642 0.108 14.634 1.00 0.00 O ATOM 1586 CB GLU B 21 4.956 -2.553 14.108 1.00 0.00 C ATOM 1587 CG GLU B 21 5.570 -3.175 15.364 1.00 0.00 C ATOM 1588 CD GLU B 21 4.492 -3.934 16.140 1.00 0.00 C ATOM 1589 OE1 GLU B 21 3.475 -3.332 16.444 1.00 0.00 O ATOM 1590 OE2 GLU B 21 4.700 -5.103 16.416 1.00 0.00 O ATOM 0 H GLU B 21 3.114 -1.354 12.876 1.00 0.00 H new ATOM 0 HA GLU B 21 4.438 -0.971 15.460 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.068 -3.111 13.810 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.662 -2.609 13.279 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.379 -3.852 15.089 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.005 -2.397 15.992 1.00 0.00 H new ATOM 1597 N GLN B 22 5.625 0.293 12.698 1.00 0.00 N ATOM 1598 CA GLN B 22 6.675 1.207 12.176 1.00 0.00 C ATOM 1599 C GLN B 22 6.467 2.584 12.801 1.00 0.00 C ATOM 1600 O GLN B 22 7.401 3.248 13.200 1.00 0.00 O ATOM 1601 CB GLN B 22 6.555 1.311 10.655 1.00 0.00 C ATOM 1602 CG GLN B 22 7.778 0.667 10.001 1.00 0.00 C ATOM 1603 CD GLN B 22 7.532 -0.833 9.833 1.00 0.00 C ATOM 1604 OE1 GLN B 22 7.569 -1.578 10.792 1.00 0.00 O ATOM 1605 NE2 GLN B 22 7.282 -1.313 8.645 1.00 0.00 N ATOM 0 H GLN B 22 4.868 0.084 12.046 1.00 0.00 H new ATOM 0 HA GLN B 22 7.665 0.825 12.427 1.00 0.00 H new ATOM 0 HB2 GLN B 22 5.645 0.815 10.317 1.00 0.00 H new ATOM 0 HB3 GLN B 22 6.478 2.356 10.356 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.970 1.126 9.031 1.00 0.00 H new ATOM 0 HG3 GLN B 22 8.663 0.835 10.614 1.00 0.00 H new ATOM 0 HE21 GLN B 22 7.251 -0.689 7.839 1.00 0.00 H new ATOM 0 HE22 GLN B 22 7.118 -2.312 8.523 1.00 0.00 H new ATOM 1614 N ILE B 23 5.237 3.009 12.899 1.00 0.00 N ATOM 1615 CA ILE B 23 4.948 4.335 13.509 1.00 0.00 C ATOM 1616 C ILE B 23 5.067 4.219 15.028 1.00 0.00 C ATOM 1617 O ILE B 23 5.364 5.176 15.710 1.00 0.00 O ATOM 1618 CB ILE B 23 3.528 4.772 13.143 1.00 0.00 C ATOM 1619 CG1 ILE B 23 3.238 6.135 13.778 1.00 0.00 C ATOM 1620 CG2 ILE B 23 2.526 3.743 13.668 1.00 0.00 C ATOM 1621 CD1 ILE B 23 1.939 6.703 13.204 1.00 0.00 C ATOM 0 H ILE B 23 4.417 2.492 12.581 1.00 0.00 H new ATOM 0 HA ILE B 23 5.658 5.073 13.136 1.00 0.00 H new ATOM 0 HB ILE B 23 3.437 4.846 12.059 1.00 0.00 H new ATOM 0 HG12 ILE B 23 3.155 6.033 14.860 1.00 0.00 H new ATOM 0 HG13 ILE B 23 4.063 6.820 13.585 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.514 4.054 13.407 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.734 2.771 13.220 1.00 0.00 H new ATOM 0 HG23 ILE B 23 2.615 3.669 14.752 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.734 7.673 13.657 1.00 0.00 H new ATOM 0 HD12 ILE B 23 2.039 6.820 12.125 1.00 0.00 H new ATOM 0 HD13 ILE B 23 1.117 6.021 13.420 1.00 0.00 H new ATOM 1633 N ARG B 24 4.842 3.048 15.560 1.00 0.00 N ATOM 1634 CA ARG B 24 4.946 2.865 17.035 1.00 0.00 C ATOM 1635 C ARG B 24 6.421 2.781 17.422 1.00 0.00 C ATOM 1636 O ARG B 24 6.835 3.289 18.443 1.00 0.00 O ATOM 1637 CB ARG B 24 4.236 1.573 17.444 1.00 0.00 C ATOM 1638 CG ARG B 24 4.492 1.298 18.927 1.00 0.00 C ATOM 1639 CD ARG B 24 3.636 0.115 19.381 1.00 0.00 C ATOM 1640 NE ARG B 24 2.347 0.619 19.930 1.00 0.00 N ATOM 1641 CZ ARG B 24 1.865 0.115 21.033 1.00 0.00 C ATOM 1642 NH1 ARG B 24 2.665 -0.179 22.022 1.00 0.00 N ATOM 1643 NH2 ARG B 24 0.582 -0.100 21.145 1.00 0.00 N ATOM 0 H ARG B 24 4.590 2.210 15.036 1.00 0.00 H new ATOM 0 HA ARG B 24 4.478 3.707 17.544 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.165 1.659 17.259 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.598 0.740 16.841 1.00 0.00 H new ATOM 0 HG2 ARG B 24 5.548 1.081 19.091 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.253 2.182 19.518 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.449 -0.556 18.542 1.00 0.00 H new ATOM 0 HD3 ARG B 24 4.166 -0.462 20.139 1.00 0.00 H new ATOM 0 HE ARG B 24 1.840 1.359 19.444 1.00 0.00 H new ATOM 0 HH11 ARG B 24 3.668 -0.015 21.933 1.00 0.00 H new ATOM 0 HH12 ARG B 24 2.287 -0.573 22.884 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -0.042 0.126 20.371 1.00 0.00 H new ATOM 0 HH22 ARG B 24 0.204 -0.494 22.007 1.00 0.00 H new ATOM 1657 N GLU B 25 7.218 2.157 16.602 1.00 0.00 N ATOM 1658 CA GLU B 25 8.670 2.052 16.905 1.00 0.00 C ATOM 1659 C GLU B 25 9.325 3.383 16.555 1.00 0.00 C ATOM 1660 O GLU B 25 10.309 3.782 17.141 1.00 0.00 O ATOM 1661 CB GLU B 25 9.292 0.936 16.061 1.00 0.00 C ATOM 1662 CG GLU B 25 10.571 0.436 16.737 1.00 0.00 C ATOM 1663 CD GLU B 25 11.371 -0.418 15.750 1.00 0.00 C ATOM 1664 OE1 GLU B 25 12.068 0.156 14.930 1.00 0.00 O ATOM 1665 OE2 GLU B 25 11.273 -1.631 15.832 1.00 0.00 O ATOM 0 H GLU B 25 6.924 1.714 15.732 1.00 0.00 H new ATOM 0 HA GLU B 25 8.821 1.822 17.960 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.584 0.115 15.946 1.00 0.00 H new ATOM 0 HB3 GLU B 25 9.517 1.305 15.060 1.00 0.00 H new ATOM 0 HG2 GLU B 25 11.172 1.281 17.073 1.00 0.00 H new ATOM 0 HG3 GLU B 25 10.322 -0.150 17.622 1.00 0.00 H new ATOM 1672 N LEU B 26 8.766 4.078 15.603 1.00 0.00 N ATOM 1673 CA LEU B 26 9.327 5.396 15.206 1.00 0.00 C ATOM 1674 C LEU B 26 8.902 6.433 16.244 1.00 0.00 C ATOM 1675 O LEU B 26 9.614 7.374 16.530 1.00 0.00 O ATOM 1676 CB LEU B 26 8.773 5.787 13.833 1.00 0.00 C ATOM 1677 CG LEU B 26 9.790 5.438 12.740 1.00 0.00 C ATOM 1678 CD1 LEU B 26 10.226 3.976 12.876 1.00 0.00 C ATOM 1679 CD2 LEU B 26 9.147 5.641 11.365 1.00 0.00 C ATOM 0 H LEU B 26 7.940 3.786 15.081 1.00 0.00 H new ATOM 0 HA LEU B 26 10.415 5.345 15.153 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.834 5.265 13.648 1.00 0.00 H new ATOM 0 HB3 LEU B 26 8.554 6.855 13.810 1.00 0.00 H new ATOM 0 HG LEU B 26 10.660 6.086 12.845 1.00 0.00 H new ATOM 0 HD11 LEU B 26 10.948 3.738 12.095 1.00 0.00 H new ATOM 0 HD12 LEU B 26 10.684 3.822 13.853 1.00 0.00 H new ATOM 0 HD13 LEU B 26 9.357 3.326 12.776 1.00 0.00 H new ATOM 0 HD21 LEU B 26 9.868 5.394 10.586 1.00 0.00 H new ATOM 0 HD22 LEU B 26 8.275 4.993 11.272 1.00 0.00 H new ATOM 0 HD23 LEU B 26 8.839 6.681 11.257 1.00 0.00 H new ATOM 1691 N VAL B 27 7.746 6.252 16.820 1.00 0.00 N ATOM 1692 CA VAL B 27 7.265 7.208 17.851 1.00 0.00 C ATOM 1693 C VAL B 27 7.873 6.821 19.196 1.00 0.00 C ATOM 1694 O VAL B 27 8.064 7.648 20.061 1.00 0.00 O ATOM 1695 CB VAL B 27 5.739 7.146 17.938 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.262 7.959 19.144 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.135 7.729 16.657 1.00 0.00 C ATOM 0 H VAL B 27 7.112 5.479 16.619 1.00 0.00 H new ATOM 0 HA VAL B 27 7.563 8.223 17.586 1.00 0.00 H new ATOM 0 HB VAL B 27 5.422 6.110 18.053 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.175 7.915 19.206 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.694 7.546 20.055 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.577 8.996 19.031 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.047 7.686 16.715 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.452 8.766 16.544 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.475 7.150 15.798 1.00 0.00 H new ATOM 1707 N GLU B 28 8.197 5.569 19.367 1.00 0.00 N ATOM 1708 CA GLU B 28 8.814 5.127 20.646 1.00 0.00 C ATOM 1709 C GLU B 28 10.285 5.531 20.624 1.00 0.00 C ATOM 1710 O GLU B 28 10.847 5.935 21.621 1.00 0.00 O ATOM 1711 CB GLU B 28 8.693 3.606 20.782 1.00 0.00 C ATOM 1712 CG GLU B 28 9.364 3.153 22.081 1.00 0.00 C ATOM 1713 CD GLU B 28 9.563 1.636 22.053 1.00 0.00 C ATOM 1714 OE1 GLU B 28 9.395 1.055 20.994 1.00 0.00 O ATOM 1715 OE2 GLU B 28 9.880 1.081 23.093 1.00 0.00 O ATOM 0 H GLU B 28 8.060 4.833 18.674 1.00 0.00 H new ATOM 0 HA GLU B 28 8.307 5.591 21.492 1.00 0.00 H new ATOM 0 HB2 GLU B 28 7.643 3.313 20.781 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.161 3.116 19.928 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.325 3.654 22.200 1.00 0.00 H new ATOM 0 HG3 GLU B 28 8.750 3.434 22.937 1.00 0.00 H new ATOM 1722 N LYS B 29 10.903 5.447 19.479 1.00 0.00 N ATOM 1723 CA LYS B 29 12.329 5.848 19.369 1.00 0.00 C ATOM 1724 C LYS B 29 12.396 7.373 19.406 1.00 0.00 C ATOM 1725 O LYS B 29 13.239 7.953 20.057 1.00 0.00 O ATOM 1726 CB LYS B 29 12.909 5.328 18.052 1.00 0.00 C ATOM 1727 CG LYS B 29 13.939 4.234 18.346 1.00 0.00 C ATOM 1728 CD LYS B 29 13.408 2.883 17.857 1.00 0.00 C ATOM 1729 CE LYS B 29 14.450 1.796 18.130 1.00 0.00 C ATOM 1730 NZ LYS B 29 14.038 0.530 17.461 1.00 0.00 N ATOM 0 H LYS B 29 10.478 5.116 18.613 1.00 0.00 H new ATOM 0 HA LYS B 29 12.908 5.428 20.191 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.112 4.933 17.422 1.00 0.00 H new ATOM 0 HB3 LYS B 29 13.376 6.144 17.500 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.882 4.466 17.851 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.143 4.190 19.416 1.00 0.00 H new ATOM 0 HD2 LYS B 29 12.474 2.642 18.365 1.00 0.00 H new ATOM 0 HD3 LYS B 29 13.188 2.931 16.791 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.426 2.113 17.762 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.551 1.636 19.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.855 -0.110 17.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 13.284 0.075 18.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 13.687 0.741 16.505 1.00 0.00 H new ATOM 1744 N ASN B 30 11.488 8.027 18.732 1.00 0.00 N ATOM 1745 CA ASN B 30 11.476 9.514 18.754 1.00 0.00 C ATOM 1746 C ASN B 30 11.106 9.962 20.166 1.00 0.00 C ATOM 1747 O ASN B 30 11.552 10.984 20.646 1.00 0.00 O ATOM 1748 CB ASN B 30 10.436 10.037 17.760 1.00 0.00 C ATOM 1749 CG ASN B 30 10.598 11.550 17.598 1.00 0.00 C ATOM 1750 OD1 ASN B 30 9.649 12.294 17.751 1.00 0.00 O ATOM 1751 ND2 ASN B 30 11.768 12.040 17.290 1.00 0.00 N ATOM 0 H ASN B 30 10.756 7.594 18.169 1.00 0.00 H new ATOM 0 HA ASN B 30 12.455 9.905 18.475 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.558 9.543 16.796 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.431 9.804 18.113 1.00 0.00 H new ATOM 0 HD21 ASN B 30 11.886 13.047 17.178 1.00 0.00 H new ATOM 0 HD22 ASN B 30 12.565 11.416 17.162 1.00 0.00 H new ATOM 1758 N SER B 31 10.302 9.182 20.841 1.00 0.00 N ATOM 1759 CA SER B 31 9.905 9.534 22.232 1.00 0.00 C ATOM 1760 C SER B 31 11.131 9.412 23.131 1.00 0.00 C ATOM 1761 O SER B 31 11.376 10.246 23.974 1.00 0.00 O ATOM 1762 CB SER B 31 8.820 8.574 22.721 1.00 0.00 C ATOM 1763 OG SER B 31 8.231 9.096 23.904 1.00 0.00 O ATOM 0 H SER B 31 9.903 8.313 20.485 1.00 0.00 H new ATOM 0 HA SER B 31 9.516 10.552 22.259 1.00 0.00 H new ATOM 0 HB2 SER B 31 8.061 8.442 21.950 1.00 0.00 H new ATOM 0 HB3 SER B 31 9.249 7.591 22.917 1.00 0.00 H new ATOM 0 HG SER B 31 7.534 8.484 24.220 1.00 0.00 H new ATOM 1769 N GLN B 32 11.913 8.384 22.947 1.00 0.00 N ATOM 1770 CA GLN B 32 13.132 8.227 23.783 1.00 0.00 C ATOM 1771 C GLN B 32 14.113 9.330 23.399 1.00 0.00 C ATOM 1772 O GLN B 32 14.906 9.783 24.198 1.00 0.00 O ATOM 1773 CB GLN B 32 13.768 6.860 23.523 1.00 0.00 C ATOM 1774 CG GLN B 32 14.934 6.647 24.489 1.00 0.00 C ATOM 1775 CD GLN B 32 14.394 6.220 25.856 1.00 0.00 C ATOM 1776 OE1 GLN B 32 14.637 6.875 26.850 1.00 0.00 O ATOM 1777 NE2 GLN B 32 13.668 5.139 25.949 1.00 0.00 N ATOM 0 H GLN B 32 11.760 7.649 22.256 1.00 0.00 H new ATOM 0 HA GLN B 32 12.876 8.297 24.840 1.00 0.00 H new ATOM 0 HB2 GLN B 32 13.026 6.072 23.652 1.00 0.00 H new ATOM 0 HB3 GLN B 32 14.120 6.801 22.493 1.00 0.00 H new ATOM 0 HG2 GLN B 32 15.609 5.885 24.099 1.00 0.00 H new ATOM 0 HG3 GLN B 32 15.512 7.566 24.586 1.00 0.00 H new ATOM 0 HE21 GLN B 32 13.464 4.589 25.115 1.00 0.00 H new ATOM 0 HE22 GLN B 32 13.305 4.845 26.856 1.00 0.00 H new ATOM 1786 N LEU B 33 14.047 9.771 22.174 1.00 0.00 N ATOM 1787 CA LEU B 33 14.954 10.855 21.715 1.00 0.00 C ATOM 1788 C LEU B 33 14.414 12.193 22.219 1.00 0.00 C ATOM 1789 O LEU B 33 15.139 13.157 22.348 1.00 0.00 O ATOM 1790 CB LEU B 33 14.997 10.866 20.185 1.00 0.00 C ATOM 1791 CG LEU B 33 16.447 10.774 19.710 1.00 0.00 C ATOM 1792 CD1 LEU B 33 17.252 11.929 20.306 1.00 0.00 C ATOM 1793 CD2 LEU B 33 17.048 9.443 20.168 1.00 0.00 C ATOM 0 H LEU B 33 13.399 9.423 21.468 1.00 0.00 H new ATOM 0 HA LEU B 33 15.959 10.690 22.103 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.421 10.030 19.789 1.00 0.00 H new ATOM 0 HB3 LEU B 33 14.537 11.778 19.805 1.00 0.00 H new ATOM 0 HG LEU B 33 16.479 10.833 18.622 1.00 0.00 H new ATOM 0 HD11 LEU B 33 18.286 11.864 19.968 1.00 0.00 H new ATOM 0 HD12 LEU B 33 16.823 12.877 19.982 1.00 0.00 H new ATOM 0 HD13 LEU B 33 17.222 11.870 21.394 1.00 0.00 H new ATOM 0 HD21 LEU B 33 18.082 9.375 19.830 1.00 0.00 H new ATOM 0 HD22 LEU B 33 17.017 9.385 21.256 1.00 0.00 H new ATOM 0 HD23 LEU B 33 16.473 8.619 19.744 1.00 0.00 H new ATOM 1805 N GLU B 34 13.142 12.256 22.507 1.00 0.00 N ATOM 1806 CA GLU B 34 12.552 13.530 23.003 1.00 0.00 C ATOM 1807 C GLU B 34 12.788 13.643 24.508 1.00 0.00 C ATOM 1808 O GLU B 34 13.002 14.715 25.034 1.00 0.00 O ATOM 1809 CB GLU B 34 11.049 13.543 22.716 1.00 0.00 C ATOM 1810 CG GLU B 34 10.611 14.967 22.368 1.00 0.00 C ATOM 1811 CD GLU B 34 10.132 15.014 20.916 1.00 0.00 C ATOM 1812 OE1 GLU B 34 9.167 14.334 20.609 1.00 0.00 O ATOM 1813 OE2 GLU B 34 10.740 15.727 20.135 1.00 0.00 O ATOM 0 H GLU B 34 12.487 11.479 22.420 1.00 0.00 H new ATOM 0 HA GLU B 34 13.022 14.373 22.497 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.819 12.868 21.891 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.498 13.183 23.585 1.00 0.00 H new ATOM 0 HG2 GLU B 34 9.811 15.286 23.036 1.00 0.00 H new ATOM 0 HG3 GLU B 34 11.441 15.659 22.511 1.00 0.00 H new ATOM 1820 N ARG B 35 12.762 12.541 25.205 1.00 0.00 N ATOM 1821 CA ARG B 35 12.997 12.582 26.673 1.00 0.00 C ATOM 1822 C ARG B 35 14.498 12.711 26.922 1.00 0.00 C ATOM 1823 O ARG B 35 14.931 13.323 27.879 1.00 0.00 O ATOM 1824 CB ARG B 35 12.479 11.292 27.311 1.00 0.00 C ATOM 1825 CG ARG B 35 12.652 11.368 28.828 1.00 0.00 C ATOM 1826 CD ARG B 35 13.828 10.486 29.250 1.00 0.00 C ATOM 1827 NE ARG B 35 13.312 9.259 29.917 1.00 0.00 N ATOM 1828 CZ ARG B 35 12.693 9.350 31.060 1.00 0.00 C ATOM 1829 NH1 ARG B 35 12.848 10.412 31.803 1.00 0.00 N ATOM 1830 NH2 ARG B 35 11.916 8.382 31.461 1.00 0.00 N ATOM 0 H ARG B 35 12.588 11.613 24.819 1.00 0.00 H new ATOM 0 HA ARG B 35 12.472 13.431 27.112 1.00 0.00 H new ATOM 0 HB2 ARG B 35 11.428 11.147 27.061 1.00 0.00 H new ATOM 0 HB3 ARG B 35 13.022 10.434 26.915 1.00 0.00 H new ATOM 0 HG2 ARG B 35 12.829 12.399 29.134 1.00 0.00 H new ATOM 0 HG3 ARG B 35 11.740 11.040 29.326 1.00 0.00 H new ATOM 0 HD2 ARG B 35 14.425 10.216 28.379 1.00 0.00 H new ATOM 0 HD3 ARG B 35 14.483 11.034 29.928 1.00 0.00 H new ATOM 0 HE ARG B 35 13.443 8.347 29.479 1.00 0.00 H new ATOM 0 HH11 ARG B 35 13.454 11.170 31.489 1.00 0.00 H new ATOM 0 HH12 ARG B 35 12.364 10.484 32.698 1.00 0.00 H new ATOM 0 HH21 ARG B 35 11.793 7.553 30.880 1.00 0.00 H new ATOM 0 HH22 ARG B 35 11.432 8.454 32.356 1.00 0.00 H new ATOM 1844 N GLU B 36 15.297 12.147 26.058 1.00 0.00 N ATOM 1845 CA GLU B 36 16.771 12.243 26.232 1.00 0.00 C ATOM 1846 C GLU B 36 17.249 13.590 25.689 1.00 0.00 C ATOM 1847 O GLU B 36 18.141 14.208 26.232 1.00 0.00 O ATOM 1848 CB GLU B 36 17.456 11.110 25.464 1.00 0.00 C ATOM 1849 CG GLU B 36 18.968 11.344 25.460 1.00 0.00 C ATOM 1850 CD GLU B 36 19.693 10.027 25.741 1.00 0.00 C ATOM 1851 OE1 GLU B 36 19.579 9.536 26.853 1.00 0.00 O ATOM 1852 OE2 GLU B 36 20.351 9.532 24.841 1.00 0.00 O ATOM 0 H GLU B 36 14.990 11.623 25.238 1.00 0.00 H new ATOM 0 HA GLU B 36 17.022 12.160 27.290 1.00 0.00 H new ATOM 0 HB2 GLU B 36 17.226 10.150 25.927 1.00 0.00 H new ATOM 0 HB3 GLU B 36 17.080 11.069 24.442 1.00 0.00 H new ATOM 0 HG2 GLU B 36 19.281 11.745 24.496 1.00 0.00 H new ATOM 0 HG3 GLU B 36 19.233 12.085 26.214 1.00 0.00 H new ATOM 1859 N ASN B 37 16.656 14.050 24.622 1.00 0.00 N ATOM 1860 CA ASN B 37 17.068 15.359 24.042 1.00 0.00 C ATOM 1861 C ASN B 37 16.526 16.489 24.915 1.00 0.00 C ATOM 1862 O ASN B 37 17.138 17.526 25.050 1.00 0.00 O ATOM 1863 CB ASN B 37 16.506 15.492 22.624 1.00 0.00 C ATOM 1864 CG ASN B 37 17.028 16.783 21.988 1.00 0.00 C ATOM 1865 OD1 ASN B 37 17.709 17.557 22.630 1.00 0.00 O ATOM 1866 ND2 ASN B 37 16.734 17.048 20.744 1.00 0.00 N ATOM 0 H ASN B 37 15.902 13.575 24.126 1.00 0.00 H new ATOM 0 HA ASN B 37 18.156 15.416 24.004 1.00 0.00 H new ATOM 0 HB2 ASN B 37 16.801 14.632 22.022 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.416 15.503 22.652 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.076 17.906 20.311 1.00 0.00 H new ATOM 0 HD22 ASN B 37 16.162 16.397 20.205 1.00 0.00 H new ATOM 1873 N THR B 38 15.386 16.293 25.516 1.00 0.00 N ATOM 1874 CA THR B 38 14.813 17.354 26.389 1.00 0.00 C ATOM 1875 C THR B 38 15.614 17.398 27.689 1.00 0.00 C ATOM 1876 O THR B 38 15.881 18.450 28.234 1.00 0.00 O ATOM 1877 CB THR B 38 13.349 17.032 26.694 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.616 16.972 25.478 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.760 18.120 27.593 1.00 0.00 C ATOM 0 H THR B 38 14.826 15.444 25.440 1.00 0.00 H new ATOM 0 HA THR B 38 14.865 18.320 25.888 1.00 0.00 H new ATOM 0 HB THR B 38 13.288 16.071 27.204 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.345 16.046 25.305 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.717 17.888 27.809 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.322 18.165 28.526 1.00 0.00 H new ATOM 0 HG23 THR B 38 12.820 19.083 27.086 1.00 0.00 H new ATOM 1887 N LEU B 39 16.010 16.257 28.182 1.00 0.00 N ATOM 1888 CA LEU B 39 16.807 16.225 29.437 1.00 0.00 C ATOM 1889 C LEU B 39 18.209 16.755 29.139 1.00 0.00 C ATOM 1890 O LEU B 39 18.828 17.395 29.961 1.00 0.00 O ATOM 1891 CB LEU B 39 16.899 14.786 29.949 1.00 0.00 C ATOM 1892 CG LEU B 39 16.823 14.781 31.476 1.00 0.00 C ATOM 1893 CD1 LEU B 39 16.018 13.568 31.943 1.00 0.00 C ATOM 1894 CD2 LEU B 39 18.239 14.707 32.054 1.00 0.00 C ATOM 0 H LEU B 39 15.815 15.345 27.768 1.00 0.00 H new ATOM 0 HA LEU B 39 16.330 16.843 30.198 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.088 14.188 29.532 1.00 0.00 H new ATOM 0 HB3 LEU B 39 17.833 14.331 29.619 1.00 0.00 H new ATOM 0 HG LEU B 39 16.336 15.693 31.820 1.00 0.00 H new ATOM 0 HD11 LEU B 39 15.964 13.564 33.032 1.00 0.00 H new ATOM 0 HD12 LEU B 39 15.011 13.619 31.530 1.00 0.00 H new ATOM 0 HD13 LEU B 39 16.505 12.655 31.601 1.00 0.00 H new ATOM 0 HD21 LEU B 39 18.188 14.703 33.143 1.00 0.00 H new ATOM 0 HD22 LEU B 39 18.725 13.794 31.710 1.00 0.00 H new ATOM 0 HD23 LEU B 39 18.814 15.571 31.721 1.00 0.00 H new ATOM 1906 N LEU B 40 18.707 16.500 27.960 1.00 0.00 N ATOM 1907 CA LEU B 40 20.064 16.993 27.595 1.00 0.00 C ATOM 1908 C LEU B 40 19.980 18.477 27.240 1.00 0.00 C ATOM 1909 O LEU B 40 20.928 19.219 27.393 1.00 0.00 O ATOM 1910 CB LEU B 40 20.578 16.212 26.385 1.00 0.00 C ATOM 1911 CG LEU B 40 21.818 15.413 26.783 1.00 0.00 C ATOM 1912 CD1 LEU B 40 21.517 14.598 28.042 1.00 0.00 C ATOM 1913 CD2 LEU B 40 22.196 14.467 25.641 1.00 0.00 C ATOM 0 H LEU B 40 18.230 15.969 27.231 1.00 0.00 H new ATOM 0 HA LEU B 40 20.744 16.853 28.435 1.00 0.00 H new ATOM 0 HB2 LEU B 40 19.803 15.540 26.016 1.00 0.00 H new ATOM 0 HB3 LEU B 40 20.819 16.897 25.572 1.00 0.00 H new ATOM 0 HG LEU B 40 22.645 16.095 26.982 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.401 14.028 28.326 1.00 0.00 H new ATOM 0 HD12 LEU B 40 21.243 15.271 28.854 1.00 0.00 H new ATOM 0 HD13 LEU B 40 20.692 13.914 27.844 1.00 0.00 H new ATOM 0 HD21 LEU B 40 23.081 13.895 25.920 1.00 0.00 H new ATOM 0 HD22 LEU B 40 21.369 13.784 25.445 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.408 15.047 24.743 1.00 0.00 H new ATOM 1925 N LYS B 41 18.844 18.914 26.773 1.00 0.00 N ATOM 1926 CA LYS B 41 18.687 20.349 26.412 1.00 0.00 C ATOM 1927 C LYS B 41 18.524 21.162 27.692 1.00 0.00 C ATOM 1928 O LYS B 41 18.979 22.283 27.791 1.00 0.00 O ATOM 1929 CB LYS B 41 17.446 20.525 25.534 1.00 0.00 C ATOM 1930 CG LYS B 41 17.562 21.829 24.741 1.00 0.00 C ATOM 1931 CD LYS B 41 16.244 22.104 24.016 1.00 0.00 C ATOM 1932 CE LYS B 41 16.390 23.359 23.154 1.00 0.00 C ATOM 1933 NZ LYS B 41 17.222 23.044 21.957 1.00 0.00 N ATOM 0 H LYS B 41 18.016 18.337 26.626 1.00 0.00 H new ATOM 0 HA LYS B 41 19.565 20.691 25.863 1.00 0.00 H new ATOM 0 HB2 LYS B 41 17.347 19.680 24.852 1.00 0.00 H new ATOM 0 HB3 LYS B 41 16.549 20.542 26.153 1.00 0.00 H new ATOM 0 HG2 LYS B 41 17.800 22.655 25.411 1.00 0.00 H new ATOM 0 HG3 LYS B 41 18.377 21.758 24.021 1.00 0.00 H new ATOM 0 HD2 LYS B 41 15.974 21.251 23.393 1.00 0.00 H new ATOM 0 HD3 LYS B 41 15.440 22.238 24.739 1.00 0.00 H new ATOM 0 HE2 LYS B 41 15.408 23.717 22.844 1.00 0.00 H new ATOM 0 HE3 LYS B 41 16.853 24.159 23.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 17.103 23.792 21.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 18.222 22.986 22.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.921 22.133 21.555 1.00 0.00 H new ATOM 1947 N THR B 42 17.882 20.600 28.678 1.00 0.00 N ATOM 1948 CA THR B 42 17.696 21.336 29.957 1.00 0.00 C ATOM 1949 C THR B 42 18.967 21.201 30.795 1.00 0.00 C ATOM 1950 O THR B 42 19.323 22.087 31.546 1.00 0.00 O ATOM 1951 CB THR B 42 16.510 20.748 30.725 1.00 0.00 C ATOM 1952 OG1 THR B 42 15.308 21.027 30.020 1.00 0.00 O ATOM 1953 CG2 THR B 42 16.445 21.374 32.119 1.00 0.00 C ATOM 0 H THR B 42 17.479 19.663 28.652 1.00 0.00 H new ATOM 0 HA THR B 42 17.498 22.388 29.750 1.00 0.00 H new ATOM 0 HB THR B 42 16.634 19.669 30.819 1.00 0.00 H new ATOM 0 HG1 THR B 42 15.173 20.351 29.324 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.600 20.956 32.667 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.368 21.160 32.657 1.00 0.00 H new ATOM 0 HG23 THR B 42 16.320 22.453 32.028 1.00 0.00 H new ATOM 1961 N LEU B 43 19.661 20.102 30.664 1.00 0.00 N ATOM 1962 CA LEU B 43 20.917 19.914 31.445 1.00 0.00 C ATOM 1963 C LEU B 43 21.992 20.851 30.894 1.00 0.00 C ATOM 1964 O LEU B 43 22.563 21.649 31.609 1.00 0.00 O ATOM 1965 CB LEU B 43 21.397 18.465 31.315 1.00 0.00 C ATOM 1966 CG LEU B 43 21.590 17.861 32.706 1.00 0.00 C ATOM 1967 CD1 LEU B 43 20.865 16.516 32.786 1.00 0.00 C ATOM 1968 CD2 LEU B 43 23.083 17.647 32.965 1.00 0.00 C ATOM 0 H LEU B 43 19.412 19.327 30.050 1.00 0.00 H new ATOM 0 HA LEU B 43 20.728 20.138 32.495 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.670 17.880 30.751 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.334 18.430 30.759 1.00 0.00 H new ATOM 0 HG LEU B 43 21.182 18.540 33.455 1.00 0.00 H new ATOM 0 HD11 LEU B 43 21.003 16.086 33.778 1.00 0.00 H new ATOM 0 HD12 LEU B 43 19.801 16.664 32.600 1.00 0.00 H new ATOM 0 HD13 LEU B 43 21.273 15.838 32.037 1.00 0.00 H new ATOM 0 HD21 LEU B 43 23.222 17.216 33.957 1.00 0.00 H new ATOM 0 HD22 LEU B 43 23.489 16.969 32.215 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.603 18.603 32.909 1.00 0.00 H new ATOM 1980 N ALA B 44 22.270 20.758 29.622 1.00 0.00 N ATOM 1981 CA ALA B 44 23.306 21.642 29.019 1.00 0.00 C ATOM 1982 C ALA B 44 22.753 23.063 28.900 1.00 0.00 C ATOM 1983 O ALA B 44 23.461 24.033 29.083 1.00 0.00 O ATOM 1984 CB ALA B 44 23.675 21.121 27.629 1.00 0.00 C ATOM 0 H ALA B 44 21.824 20.108 28.975 1.00 0.00 H new ATOM 0 HA ALA B 44 24.194 21.647 29.652 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.433 21.768 27.187 1.00 0.00 H new ATOM 0 HB2 ALA B 44 24.067 20.107 27.713 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.788 21.116 26.995 1.00 0.00 H new ATOM 1990 N SER B 45 21.492 23.191 28.597 1.00 0.00 N ATOM 1991 CA SER B 45 20.887 24.546 28.466 1.00 0.00 C ATOM 1992 C SER B 45 19.674 24.649 29.394 1.00 0.00 C ATOM 1993 O SER B 45 18.556 24.425 28.977 1.00 0.00 O ATOM 1994 CB SER B 45 20.441 24.767 27.020 1.00 0.00 C ATOM 1995 OG SER B 45 21.580 25.034 26.213 1.00 0.00 O ATOM 0 H SER B 45 20.852 22.414 28.434 1.00 0.00 H new ATOM 0 HA SER B 45 21.622 25.303 28.739 1.00 0.00 H new ATOM 0 HB2 SER B 45 19.917 23.885 26.650 1.00 0.00 H new ATOM 0 HB3 SER B 45 19.740 25.600 26.967 1.00 0.00 H new ATOM 0 HG SER B 45 21.298 25.174 25.285 1.00 0.00 H new ATOM 2001 N PRO B 46 19.936 24.989 30.629 1.00 0.00 N ATOM 2002 CA PRO B 46 18.884 25.132 31.650 1.00 0.00 C ATOM 2003 C PRO B 46 18.123 26.441 31.436 1.00 0.00 C ATOM 2004 O PRO B 46 17.012 26.607 31.896 1.00 0.00 O ATOM 2005 CB PRO B 46 19.662 25.152 32.969 1.00 0.00 C ATOM 2006 CG PRO B 46 21.106 25.581 32.616 1.00 0.00 C ATOM 2007 CD PRO B 46 21.301 25.271 31.120 1.00 0.00 C ATOM 0 HA PRO B 46 18.138 24.338 31.621 1.00 0.00 H new ATOM 0 HB2 PRO B 46 19.211 25.849 33.676 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.653 24.169 33.441 1.00 0.00 H new ATOM 0 HG2 PRO B 46 21.255 26.642 32.815 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.831 25.038 33.222 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.748 26.114 30.593 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.962 24.417 30.973 1.00 0.00 H new