USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 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 Set 1.1: A 30 ASN :FLIP amide:sc= -5.06! C(o=-8.7!,f=-6!) USER MOD Set 1.2: B 30 ASN : amide:sc= -0.935 K(o=-6,f=-7.9) USER MOD Single : A 20 LYS NZ :NH3+ -123:sc= -0.0359 (180deg=-0.441) USER MOD Single : A 22 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.83) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.929 K(o=-0.93,f=-2.2!) USER MOD Single : A 38 THR OG1 : rot 11:sc= -1.03 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-6.77e-05) USER MOD Single : A 42 THR OG1 : rot 68:sc= 0.981 USER MOD Single : A 45 SER OG : rot -65:sc= -3.55! USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 GLN : amide:sc= -0.452 K(o=-0.45,f=-4!) USER MOD Single : B 29 LYS NZ :NH3+ 158:sc= -0.0293 (180deg=-0.335) USER MOD Single : B 31 SER OG : rot 92:sc= 1.23 USER MOD Single : B 32 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.3!) USER MOD Single : B 37 ASN : amide:sc= -2.64! C(o=-2.6!,f=-3.4!) USER MOD Single : B 38 THR OG1 : rot 83:sc= 1.18 USER MOD Single : B 41 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0228) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -0.651 4.066 2.081 1.00 0.00 N ATOM 262 CA VAL A 16 -1.304 5.296 2.605 1.00 0.00 C ATOM 263 C VAL A 16 -0.314 6.457 2.500 1.00 0.00 C ATOM 264 O VAL A 16 0.717 6.457 3.135 1.00 0.00 O ATOM 265 CB VAL A 16 -1.701 5.086 4.068 1.00 0.00 C ATOM 266 CG1 VAL A 16 -2.566 6.258 4.538 1.00 0.00 C ATOM 267 CG2 VAL A 16 -2.497 3.786 4.196 1.00 0.00 C ATOM 0 HA VAL A 16 -2.200 5.518 2.025 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.803 5.028 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.848 6.107 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.002 7.186 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.465 6.316 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.781 3.634 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.394 3.847 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.884 2.949 3.862 1.00 0.00 H new ATOM 277 N GLU A 17 -0.608 7.437 1.689 1.00 0.00 N ATOM 278 CA GLU A 17 0.330 8.588 1.538 1.00 0.00 C ATOM 279 C GLU A 17 0.532 9.272 2.890 1.00 0.00 C ATOM 280 O GLU A 17 1.604 9.743 3.201 1.00 0.00 O ATOM 281 CB GLU A 17 -0.251 9.602 0.552 1.00 0.00 C ATOM 282 CG GLU A 17 0.802 9.949 -0.503 1.00 0.00 C ATOM 283 CD GLU A 17 2.007 10.604 0.175 1.00 0.00 C ATOM 284 OE1 GLU A 17 1.883 11.746 0.585 1.00 0.00 O ATOM 285 OE2 GLU A 17 3.033 9.952 0.272 1.00 0.00 O ATOM 0 H GLU A 17 -1.456 7.491 1.125 1.00 0.00 H new ATOM 0 HA GLU A 17 1.286 8.218 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.140 9.191 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.562 10.503 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.114 9.048 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.378 10.624 -1.247 1.00 0.00 H new ATOM 292 N ILE A 18 -0.498 9.339 3.687 1.00 0.00 N ATOM 293 CA ILE A 18 -0.376 10.002 5.014 1.00 0.00 C ATOM 294 C ILE A 18 0.565 9.201 5.915 1.00 0.00 C ATOM 295 O ILE A 18 1.486 9.738 6.496 1.00 0.00 O ATOM 296 CB ILE A 18 -1.754 10.077 5.672 1.00 0.00 C ATOM 297 CG1 ILE A 18 -2.646 11.041 4.887 1.00 0.00 C ATOM 298 CG2 ILE A 18 -1.606 10.578 7.109 1.00 0.00 C ATOM 299 CD1 ILE A 18 -2.011 12.433 4.876 1.00 0.00 C ATOM 0 H ILE A 18 -1.422 8.962 3.475 1.00 0.00 H new ATOM 0 HA ILE A 18 0.025 11.006 4.874 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.207 9.086 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.777 10.682 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.637 11.086 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.588 10.632 7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.972 9.891 7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.152 11.569 7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.647 13.119 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.903 12.792 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.030 12.382 4.404 1.00 0.00 H new ATOM 311 N LEU A 19 0.333 7.925 6.052 1.00 0.00 N ATOM 312 CA LEU A 19 1.208 7.100 6.932 1.00 0.00 C ATOM 313 C LEU A 19 2.609 6.993 6.325 1.00 0.00 C ATOM 314 O LEU A 19 3.580 6.787 7.022 1.00 0.00 O ATOM 315 CB LEU A 19 0.605 5.704 7.089 1.00 0.00 C ATOM 316 CG LEU A 19 0.083 5.538 8.518 1.00 0.00 C ATOM 317 CD1 LEU A 19 -0.838 4.318 8.591 1.00 0.00 C ATOM 318 CD2 LEU A 19 1.265 5.342 9.471 1.00 0.00 C ATOM 0 H LEU A 19 -0.424 7.418 5.593 1.00 0.00 H new ATOM 0 HA LEU A 19 1.281 7.575 7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.206 5.563 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.356 4.944 6.873 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.475 6.429 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.208 4.202 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.680 4.456 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.283 3.425 8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.895 5.224 10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.822 4.451 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.920 6.212 9.422 1.00 0.00 H new ATOM 330 N LYS A 20 2.726 7.143 5.037 1.00 0.00 N ATOM 331 CA LYS A 20 4.067 7.059 4.399 1.00 0.00 C ATOM 332 C LYS A 20 4.819 8.355 4.689 1.00 0.00 C ATOM 333 O LYS A 20 6.007 8.358 4.945 1.00 0.00 O ATOM 334 CB LYS A 20 3.906 6.880 2.887 1.00 0.00 C ATOM 335 CG LYS A 20 5.151 6.198 2.318 1.00 0.00 C ATOM 336 CD LYS A 20 5.811 7.119 1.290 1.00 0.00 C ATOM 337 CE LYS A 20 6.549 6.276 0.249 1.00 0.00 C ATOM 338 NZ LYS A 20 7.780 6.992 -0.189 1.00 0.00 N ATOM 0 H LYS A 20 1.951 7.320 4.398 1.00 0.00 H new ATOM 0 HA LYS A 20 4.621 6.209 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.021 6.281 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.759 7.849 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.852 5.969 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.879 5.251 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.057 7.738 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.507 7.795 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.811 5.306 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.901 6.087 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.757 7.123 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.826 7.921 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.618 6.433 0.071 1.00 0.00 H new ATOM 352 N GLU A 21 4.122 9.457 4.671 1.00 0.00 N ATOM 353 CA GLU A 21 4.772 10.759 4.964 1.00 0.00 C ATOM 354 C GLU A 21 4.940 10.880 6.476 1.00 0.00 C ATOM 355 O GLU A 21 5.768 11.620 6.964 1.00 0.00 O ATOM 356 CB GLU A 21 3.893 11.901 4.448 1.00 0.00 C ATOM 357 CG GLU A 21 4.384 13.229 5.027 1.00 0.00 C ATOM 358 CD GLU A 21 3.365 13.753 6.040 1.00 0.00 C ATOM 359 OE1 GLU A 21 2.233 13.299 6.002 1.00 0.00 O ATOM 360 OE2 GLU A 21 3.732 14.601 6.837 1.00 0.00 O ATOM 0 H GLU A 21 3.124 9.509 4.464 1.00 0.00 H new ATOM 0 HA GLU A 21 5.743 10.815 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.924 11.934 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.854 11.731 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.353 13.092 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.525 13.956 4.228 1.00 0.00 H new ATOM 367 N GLN A 22 4.163 10.139 7.220 1.00 0.00 N ATOM 368 CA GLN A 22 4.278 10.187 8.702 1.00 0.00 C ATOM 369 C GLN A 22 5.481 9.343 9.114 1.00 0.00 C ATOM 370 O GLN A 22 6.211 9.683 10.021 1.00 0.00 O ATOM 371 CB GLN A 22 3.006 9.620 9.341 1.00 0.00 C ATOM 372 CG GLN A 22 2.119 10.771 9.823 1.00 0.00 C ATOM 373 CD GLN A 22 2.754 11.422 11.053 1.00 0.00 C ATOM 374 OE1 GLN A 22 3.478 12.391 10.936 1.00 0.00 O ATOM 375 NE2 GLN A 22 2.509 10.930 12.237 1.00 0.00 N ATOM 0 H GLN A 22 3.452 9.501 6.862 1.00 0.00 H new ATOM 0 HA GLN A 22 4.407 11.217 9.036 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.465 9.008 8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.265 8.971 10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.998 11.508 9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.124 10.400 10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.901 10.117 12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.925 11.359 13.064 1.00 0.00 H new ATOM 384 N ILE A 23 5.702 8.251 8.432 1.00 0.00 N ATOM 385 CA ILE A 23 6.871 7.396 8.762 1.00 0.00 C ATOM 386 C ILE A 23 8.119 8.061 8.190 1.00 0.00 C ATOM 387 O ILE A 23 9.197 7.962 8.738 1.00 0.00 O ATOM 388 CB ILE A 23 6.695 6.008 8.144 1.00 0.00 C ATOM 389 CG1 ILE A 23 5.551 5.277 8.852 1.00 0.00 C ATOM 390 CG2 ILE A 23 7.989 5.210 8.314 1.00 0.00 C ATOM 391 CD1 ILE A 23 5.911 5.069 10.325 1.00 0.00 C ATOM 0 H ILE A 23 5.122 7.917 7.662 1.00 0.00 H new ATOM 0 HA ILE A 23 6.962 7.284 9.842 1.00 0.00 H new ATOM 0 HB ILE A 23 6.463 6.107 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.630 5.855 8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.368 4.316 8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.866 4.220 7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.806 5.731 7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.218 5.110 9.375 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.096 4.549 10.829 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.821 4.474 10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.072 6.037 10.800 1.00 0.00 H new ATOM 403 N ARG A 24 7.970 8.761 7.099 1.00 0.00 N ATOM 404 CA ARG A 24 9.133 9.462 6.495 1.00 0.00 C ATOM 405 C ARG A 24 9.431 10.702 7.336 1.00 0.00 C ATOM 406 O ARG A 24 10.561 11.122 7.475 1.00 0.00 O ATOM 407 CB ARG A 24 8.792 9.882 5.064 1.00 0.00 C ATOM 408 CG ARG A 24 8.771 8.647 4.162 1.00 0.00 C ATOM 409 CD ARG A 24 10.083 8.563 3.383 1.00 0.00 C ATOM 410 NE ARG A 24 10.319 7.157 2.953 1.00 0.00 N ATOM 411 CZ ARG A 24 11.163 6.903 1.991 1.00 0.00 C ATOM 412 NH1 ARG A 24 10.897 7.285 0.771 1.00 0.00 N ATOM 413 NH2 ARG A 24 12.272 6.268 2.249 1.00 0.00 N ATOM 0 H ARG A 24 7.088 8.877 6.600 1.00 0.00 H new ATOM 0 HA ARG A 24 10.001 8.803 6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.822 10.379 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.527 10.600 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.634 7.747 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.929 8.702 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.044 9.218 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.909 8.908 4.005 1.00 0.00 H new ATOM 0 HE ARG A 24 9.821 6.393 3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.029 7.782 0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.557 7.086 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.479 5.970 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.932 6.069 1.498 1.00 0.00 H new ATOM 427 N GLU A 25 8.415 11.280 7.914 1.00 0.00 N ATOM 428 CA GLU A 25 8.627 12.480 8.766 1.00 0.00 C ATOM 429 C GLU A 25 9.041 12.013 10.158 1.00 0.00 C ATOM 430 O GLU A 25 9.673 12.729 10.906 1.00 0.00 O ATOM 431 CB GLU A 25 7.331 13.288 8.856 1.00 0.00 C ATOM 432 CG GLU A 25 7.541 14.485 9.784 1.00 0.00 C ATOM 433 CD GLU A 25 6.250 15.303 9.864 1.00 0.00 C ATOM 434 OE1 GLU A 25 5.195 14.728 9.656 1.00 0.00 O ATOM 435 OE2 GLU A 25 6.341 16.491 10.130 1.00 0.00 O ATOM 0 H GLU A 25 7.446 10.972 7.832 1.00 0.00 H new ATOM 0 HA GLU A 25 9.403 13.112 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.034 13.630 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.523 12.660 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.829 14.142 10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.356 15.107 9.413 1.00 0.00 H new ATOM 442 N LEU A 26 8.700 10.802 10.502 1.00 0.00 N ATOM 443 CA LEU A 26 9.085 10.268 11.834 1.00 0.00 C ATOM 444 C LEU A 26 10.551 9.846 11.774 1.00 0.00 C ATOM 445 O LEU A 26 11.297 10.013 12.716 1.00 0.00 O ATOM 446 CB LEU A 26 8.215 9.056 12.172 1.00 0.00 C ATOM 447 CG LEU A 26 7.286 9.400 13.336 1.00 0.00 C ATOM 448 CD1 LEU A 26 6.106 8.428 13.350 1.00 0.00 C ATOM 449 CD2 LEU A 26 8.056 9.283 14.653 1.00 0.00 C ATOM 0 H LEU A 26 8.169 10.159 9.914 1.00 0.00 H new ATOM 0 HA LEU A 26 8.943 11.029 12.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.629 8.762 11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.844 8.206 12.435 1.00 0.00 H new ATOM 0 HG LEU A 26 6.917 10.419 13.218 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.443 8.673 14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.557 8.508 12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.475 7.409 13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.395 9.528 15.484 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.424 8.264 14.770 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.899 9.974 14.644 1.00 0.00 H new ATOM 461 N VAL A 27 10.967 9.313 10.657 1.00 0.00 N ATOM 462 CA VAL A 27 12.385 8.893 10.516 1.00 0.00 C ATOM 463 C VAL A 27 13.241 10.134 10.270 1.00 0.00 C ATOM 464 O VAL A 27 14.387 10.194 10.662 1.00 0.00 O ATOM 465 CB VAL A 27 12.522 7.920 9.342 1.00 0.00 C ATOM 466 CG1 VAL A 27 11.636 6.698 9.585 1.00 0.00 C ATOM 467 CG2 VAL A 27 12.085 8.614 8.053 1.00 0.00 C ATOM 0 H VAL A 27 10.383 9.151 9.837 1.00 0.00 H new ATOM 0 HA VAL A 27 12.717 8.392 11.425 1.00 0.00 H new ATOM 0 HB VAL A 27 13.561 7.604 9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.734 6.006 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.945 6.202 10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.597 7.014 9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.182 7.922 7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.046 8.930 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.715 9.486 7.878 1.00 0.00 H new ATOM 477 N GLU A 28 12.689 11.137 9.638 1.00 0.00 N ATOM 478 CA GLU A 28 13.477 12.377 9.395 1.00 0.00 C ATOM 479 C GLU A 28 13.483 13.198 10.685 1.00 0.00 C ATOM 480 O GLU A 28 14.432 13.888 10.995 1.00 0.00 O ATOM 481 CB GLU A 28 12.849 13.182 8.248 1.00 0.00 C ATOM 482 CG GLU A 28 11.665 14.006 8.761 1.00 0.00 C ATOM 483 CD GLU A 28 10.956 14.667 7.577 1.00 0.00 C ATOM 484 OE1 GLU A 28 11.079 14.156 6.477 1.00 0.00 O ATOM 485 OE2 GLU A 28 10.306 15.678 7.790 1.00 0.00 O ATOM 0 H GLU A 28 11.733 11.150 9.283 1.00 0.00 H new ATOM 0 HA GLU A 28 14.499 12.127 9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.596 13.842 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.516 12.506 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.970 13.366 9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.012 14.766 9.461 1.00 0.00 H new ATOM 492 N LYS A 29 12.434 13.098 11.453 1.00 0.00 N ATOM 493 CA LYS A 29 12.378 13.839 12.738 1.00 0.00 C ATOM 494 C LYS A 29 13.193 13.054 13.760 1.00 0.00 C ATOM 495 O LYS A 29 13.710 13.595 14.714 1.00 0.00 O ATOM 496 CB LYS A 29 10.928 13.955 13.207 1.00 0.00 C ATOM 497 CG LYS A 29 10.802 15.120 14.190 1.00 0.00 C ATOM 498 CD LYS A 29 9.403 15.727 14.081 1.00 0.00 C ATOM 499 CE LYS A 29 8.778 15.818 15.473 1.00 0.00 C ATOM 500 NZ LYS A 29 9.017 17.177 16.036 1.00 0.00 N ATOM 0 H LYS A 29 11.612 12.532 11.243 1.00 0.00 H new ATOM 0 HA LYS A 29 12.782 14.844 12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.270 14.113 12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.613 13.027 13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.982 14.773 15.208 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.557 15.876 13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.459 16.718 13.630 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.779 15.115 13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.708 15.619 15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.209 15.060 16.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.592 17.240 16.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.040 17.350 16.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.586 17.891 15.415 1.00 0.00 H new ATOM 514 N ASN A 30 13.324 11.774 13.543 1.00 0.00 N ATOM 515 CA ASN A 30 14.124 10.932 14.471 1.00 0.00 C ATOM 516 C ASN A 30 15.600 11.157 14.169 1.00 0.00 C ATOM 517 O ASN A 30 16.425 11.224 15.058 1.00 0.00 O ATOM 518 CB ASN A 30 13.780 9.460 14.245 1.00 0.00 C ATOM 519 CG ASN A 30 13.002 8.931 15.445 1.00 0.00 C ATOM 520 OD1 ASN A 30 13.655 8.516 16.492 1.00 0.00 O flip ATOM 521 ND2 ASN A 30 11.788 8.895 15.431 1.00 0.00 N flip ATOM 0 H ASN A 30 12.908 11.274 12.757 1.00 0.00 H new ATOM 0 HA ASN A 30 13.905 11.197 15.505 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.188 9.349 13.336 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.692 8.880 14.104 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.278 9.220 14.610 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.279 8.539 16.240 1.00 0.00 H new ATOM 528 N SER A 31 15.935 11.286 12.915 1.00 0.00 N ATOM 529 CA SER A 31 17.355 11.521 12.544 1.00 0.00 C ATOM 530 C SER A 31 17.711 12.964 12.882 1.00 0.00 C ATOM 531 O SER A 31 18.825 13.269 13.247 1.00 0.00 O ATOM 532 CB SER A 31 17.542 11.283 11.046 1.00 0.00 C ATOM 533 OG SER A 31 18.904 10.965 10.790 1.00 0.00 O ATOM 0 H SER A 31 15.284 11.238 12.131 1.00 0.00 H new ATOM 0 HA SER A 31 18.002 10.838 13.093 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.897 10.470 10.711 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.252 12.172 10.485 1.00 0.00 H new ATOM 0 HG SER A 31 19.029 10.810 9.830 1.00 0.00 H new ATOM 539 N GLN A 32 16.761 13.852 12.777 1.00 0.00 N ATOM 540 CA GLN A 32 17.035 15.274 13.109 1.00 0.00 C ATOM 541 C GLN A 32 17.146 15.400 14.629 1.00 0.00 C ATOM 542 O GLN A 32 17.961 16.137 15.143 1.00 0.00 O ATOM 543 CB GLN A 32 15.889 16.147 12.596 1.00 0.00 C ATOM 544 CG GLN A 32 16.303 17.619 12.654 1.00 0.00 C ATOM 545 CD GLN A 32 15.126 18.496 12.225 1.00 0.00 C ATOM 546 OE1 GLN A 32 14.288 18.844 13.034 1.00 0.00 O ATOM 547 NE2 GLN A 32 15.023 18.869 10.978 1.00 0.00 N ATOM 0 H GLN A 32 15.807 13.652 12.475 1.00 0.00 H new ATOM 0 HA GLN A 32 17.963 15.601 12.640 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.636 15.869 11.573 1.00 0.00 H new ATOM 0 HB3 GLN A 32 14.996 15.985 13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.616 17.880 13.665 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.158 17.794 12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.726 18.577 10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.240 19.452 10.683 1.00 0.00 H new ATOM 556 N LEU A 33 16.343 14.665 15.348 1.00 0.00 N ATOM 557 CA LEU A 33 16.411 14.718 16.832 1.00 0.00 C ATOM 558 C LEU A 33 17.553 13.818 17.292 1.00 0.00 C ATOM 559 O LEU A 33 18.050 13.939 18.394 1.00 0.00 O ATOM 560 CB LEU A 33 15.090 14.230 17.430 1.00 0.00 C ATOM 561 CG LEU A 33 14.303 15.426 17.969 1.00 0.00 C ATOM 562 CD1 LEU A 33 12.881 15.393 17.412 1.00 0.00 C ATOM 563 CD2 LEU A 33 14.255 15.358 19.498 1.00 0.00 C ATOM 0 H LEU A 33 15.642 14.029 14.969 1.00 0.00 H new ATOM 0 HA LEU A 33 16.585 15.742 17.163 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.506 13.708 16.672 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.282 13.516 18.231 1.00 0.00 H new ATOM 0 HG LEU A 33 14.791 16.351 17.662 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.320 16.245 17.796 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.915 15.442 16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.392 14.469 17.718 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.694 16.210 19.883 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.767 14.433 19.806 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.270 15.382 19.895 1.00 0.00 H new ATOM 575 N GLU A 34 17.988 12.930 16.443 1.00 0.00 N ATOM 576 CA GLU A 34 19.117 12.036 16.810 1.00 0.00 C ATOM 577 C GLU A 34 20.412 12.820 16.626 1.00 0.00 C ATOM 578 O GLU A 34 21.359 12.667 17.371 1.00 0.00 O ATOM 579 CB GLU A 34 19.117 10.809 15.896 1.00 0.00 C ATOM 580 CG GLU A 34 20.223 9.845 16.333 1.00 0.00 C ATOM 581 CD GLU A 34 20.274 8.657 15.371 1.00 0.00 C ATOM 582 OE1 GLU A 34 19.972 8.850 14.204 1.00 0.00 O ATOM 583 OE2 GLU A 34 20.614 7.573 15.817 1.00 0.00 O ATOM 0 H GLU A 34 17.608 12.786 15.508 1.00 0.00 H new ATOM 0 HA GLU A 34 19.021 11.700 17.843 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.148 10.311 15.939 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.274 11.113 14.861 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.184 10.359 16.344 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.036 9.496 17.349 1.00 0.00 H new ATOM 590 N ARG A 35 20.444 13.683 15.646 1.00 0.00 N ATOM 591 CA ARG A 35 21.659 14.508 15.415 1.00 0.00 C ATOM 592 C ARG A 35 21.628 15.677 16.395 1.00 0.00 C ATOM 593 O ARG A 35 22.646 16.119 16.884 1.00 0.00 O ATOM 594 CB ARG A 35 21.665 15.031 13.976 1.00 0.00 C ATOM 595 CG ARG A 35 22.134 13.920 13.033 1.00 0.00 C ATOM 596 CD ARG A 35 23.216 14.464 12.096 1.00 0.00 C ATOM 597 NE ARG A 35 23.474 13.478 11.009 1.00 0.00 N ATOM 598 CZ ARG A 35 24.545 12.731 11.046 1.00 0.00 C ATOM 599 NH1 ARG A 35 24.802 12.009 12.102 1.00 0.00 N ATOM 600 NH2 ARG A 35 25.358 12.705 10.026 1.00 0.00 N ATOM 0 H ARG A 35 19.677 13.851 14.995 1.00 0.00 H new ATOM 0 HA ARG A 35 22.558 13.912 15.568 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.666 15.364 13.694 1.00 0.00 H new ATOM 0 HB3 ARG A 35 22.324 15.895 13.894 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.526 13.082 13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.292 13.542 12.452 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.898 15.416 11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.133 14.655 12.654 1.00 0.00 H new ATOM 0 HE ARG A 35 22.815 13.386 10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.166 12.028 12.900 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.639 11.426 12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.157 13.268 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.194 12.122 10.055 1.00 0.00 H new ATOM 614 N GLU A 36 20.455 16.161 16.705 1.00 0.00 N ATOM 615 CA GLU A 36 20.345 17.281 17.677 1.00 0.00 C ATOM 616 C GLU A 36 20.594 16.716 19.073 1.00 0.00 C ATOM 617 O GLU A 36 21.122 17.375 19.944 1.00 0.00 O ATOM 618 CB GLU A 36 18.940 17.886 17.609 1.00 0.00 C ATOM 619 CG GLU A 36 19.043 19.411 17.556 1.00 0.00 C ATOM 620 CD GLU A 36 19.695 19.923 18.841 1.00 0.00 C ATOM 621 OE1 GLU A 36 20.893 19.746 18.985 1.00 0.00 O ATOM 622 OE2 GLU A 36 18.984 20.482 19.660 1.00 0.00 O ATOM 0 H GLU A 36 19.569 15.827 16.325 1.00 0.00 H new ATOM 0 HA GLU A 36 21.072 18.059 17.446 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.415 17.516 16.728 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.358 17.580 18.479 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.631 19.717 16.691 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.052 19.849 17.439 1.00 0.00 H new ATOM 629 N ASN A 37 20.227 15.481 19.273 1.00 0.00 N ATOM 630 CA ASN A 37 20.443 14.832 20.594 1.00 0.00 C ATOM 631 C ASN A 37 21.923 14.469 20.712 1.00 0.00 C ATOM 632 O ASN A 37 22.506 14.539 21.771 1.00 0.00 O ATOM 633 CB ASN A 37 19.574 13.568 20.682 1.00 0.00 C ATOM 634 CG ASN A 37 20.187 12.562 21.663 1.00 0.00 C ATOM 635 OD1 ASN A 37 20.144 12.759 22.862 1.00 0.00 O ATOM 636 ND2 ASN A 37 20.762 11.487 21.198 1.00 0.00 N ATOM 0 H ASN A 37 19.783 14.889 18.571 1.00 0.00 H new ATOM 0 HA ASN A 37 20.166 15.504 21.406 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.568 13.833 21.006 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.482 13.113 19.696 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.176 10.811 21.840 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.798 11.322 20.192 1.00 0.00 H new ATOM 643 N THR A 38 22.536 14.093 19.624 1.00 0.00 N ATOM 644 CA THR A 38 23.981 13.743 19.673 1.00 0.00 C ATOM 645 C THR A 38 24.784 15.039 19.747 1.00 0.00 C ATOM 646 O THR A 38 25.880 15.078 20.267 1.00 0.00 O ATOM 647 CB THR A 38 24.365 12.965 18.412 1.00 0.00 C ATOM 648 OG1 THR A 38 23.905 13.667 17.266 1.00 0.00 O ATOM 649 CG2 THR A 38 23.726 11.575 18.453 1.00 0.00 C ATOM 0 H THR A 38 22.099 14.013 18.706 1.00 0.00 H new ATOM 0 HA THR A 38 24.191 13.122 20.544 1.00 0.00 H new ATOM 0 HB THR A 38 25.449 12.862 18.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 23.608 14.563 17.529 1.00 0.00 H new ATOM 0 HG21 THR A 38 24.000 11.022 17.555 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.081 11.037 19.332 1.00 0.00 H new ATOM 0 HG23 THR A 38 22.642 11.674 18.501 1.00 0.00 H new ATOM 657 N LEU A 39 24.227 16.106 19.246 1.00 0.00 N ATOM 658 CA LEU A 39 24.932 17.413 19.295 1.00 0.00 C ATOM 659 C LEU A 39 24.779 17.998 20.699 1.00 0.00 C ATOM 660 O LEU A 39 25.661 18.654 21.211 1.00 0.00 O ATOM 661 CB LEU A 39 24.309 18.363 18.269 1.00 0.00 C ATOM 662 CG LEU A 39 25.291 19.492 17.953 1.00 0.00 C ATOM 663 CD1 LEU A 39 26.214 19.060 16.812 1.00 0.00 C ATOM 664 CD2 LEU A 39 24.512 20.738 17.529 1.00 0.00 C ATOM 0 H LEU A 39 23.309 16.127 18.803 1.00 0.00 H new ATOM 0 HA LEU A 39 25.989 17.280 19.063 1.00 0.00 H new ATOM 0 HB2 LEU A 39 24.060 17.818 17.358 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.378 18.775 18.658 1.00 0.00 H new ATOM 0 HG LEU A 39 25.886 19.715 18.839 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.914 19.864 16.586 1.00 0.00 H new ATOM 0 HD12 LEU A 39 26.768 18.169 17.109 1.00 0.00 H new ATOM 0 HD13 LEU A 39 25.618 18.838 15.926 1.00 0.00 H new ATOM 0 HD21 LEU A 39 25.210 21.544 17.303 1.00 0.00 H new ATOM 0 HD22 LEU A 39 23.919 20.512 16.643 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.851 21.047 18.339 1.00 0.00 H new ATOM 676 N LEU A 40 23.662 17.750 21.327 1.00 0.00 N ATOM 677 CA LEU A 40 23.442 18.275 22.703 1.00 0.00 C ATOM 678 C LEU A 40 24.266 17.449 23.690 1.00 0.00 C ATOM 679 O LEU A 40 24.894 17.976 24.584 1.00 0.00 O ATOM 680 CB LEU A 40 21.958 18.159 23.062 1.00 0.00 C ATOM 681 CG LEU A 40 21.187 19.327 22.450 1.00 0.00 C ATOM 682 CD1 LEU A 40 19.707 18.957 22.336 1.00 0.00 C ATOM 683 CD2 LEU A 40 21.335 20.558 23.347 1.00 0.00 C ATOM 0 H LEU A 40 22.890 17.204 20.944 1.00 0.00 H new ATOM 0 HA LEU A 40 23.747 19.321 22.750 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.558 17.214 22.694 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.835 18.157 24.145 1.00 0.00 H new ATOM 0 HG LEU A 40 21.585 19.547 21.459 1.00 0.00 H new ATOM 0 HD11 LEU A 40 19.156 19.790 21.899 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.600 18.078 21.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 19.309 18.739 23.327 1.00 0.00 H new ATOM 0 HD21 LEU A 40 20.786 21.393 22.912 1.00 0.00 H new ATOM 0 HD22 LEU A 40 20.936 20.337 24.337 1.00 0.00 H new ATOM 0 HD23 LEU A 40 22.389 20.822 23.432 1.00 0.00 H new ATOM 695 N LYS A 41 24.273 16.157 23.528 1.00 0.00 N ATOM 696 CA LYS A 41 25.060 15.298 24.449 1.00 0.00 C ATOM 697 C LYS A 41 26.545 15.526 24.183 1.00 0.00 C ATOM 698 O LYS A 41 27.359 15.488 25.083 1.00 0.00 O ATOM 699 CB LYS A 41 24.715 13.828 24.207 1.00 0.00 C ATOM 700 CG LYS A 41 25.571 12.950 25.122 1.00 0.00 C ATOM 701 CD LYS A 41 26.285 11.883 24.288 1.00 0.00 C ATOM 702 CE LYS A 41 27.617 11.526 24.949 1.00 0.00 C ATOM 703 NZ LYS A 41 27.360 10.780 26.214 1.00 0.00 N ATOM 0 H LYS A 41 23.766 15.659 22.796 1.00 0.00 H new ATOM 0 HA LYS A 41 24.824 15.551 25.483 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.657 13.654 24.403 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.893 13.568 23.164 1.00 0.00 H new ATOM 0 HG2 LYS A 41 26.302 13.562 25.651 1.00 0.00 H new ATOM 0 HG3 LYS A 41 24.945 12.476 25.878 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.660 10.994 24.202 1.00 0.00 H new ATOM 0 HD3 LYS A 41 26.456 12.251 23.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 28.220 10.920 24.273 1.00 0.00 H new ATOM 0 HE3 LYS A 41 28.186 12.432 25.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 28.266 10.522 26.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.815 11.380 26.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.819 9.917 26.004 1.00 0.00 H new ATOM 717 N THR A 42 26.903 15.774 22.953 1.00 0.00 N ATOM 718 CA THR A 42 28.333 16.017 22.622 1.00 0.00 C ATOM 719 C THR A 42 28.778 17.339 23.251 1.00 0.00 C ATOM 720 O THR A 42 29.815 17.425 23.877 1.00 0.00 O ATOM 721 CB THR A 42 28.494 16.097 21.102 1.00 0.00 C ATOM 722 OG1 THR A 42 28.224 14.824 20.531 1.00 0.00 O ATOM 723 CG2 THR A 42 29.923 16.522 20.757 1.00 0.00 C ATOM 0 H THR A 42 26.263 15.819 22.160 1.00 0.00 H new ATOM 0 HA THR A 42 28.944 15.203 23.011 1.00 0.00 H new ATOM 0 HB THR A 42 27.795 16.831 20.701 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.274 14.611 20.640 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.035 16.578 19.674 1.00 0.00 H new ATOM 0 HG22 THR A 42 30.127 17.499 21.194 1.00 0.00 H new ATOM 0 HG23 THR A 42 30.626 15.792 21.157 1.00 0.00 H new ATOM 731 N LEU A 43 27.999 18.372 23.088 1.00 0.00 N ATOM 732 CA LEU A 43 28.371 19.690 23.671 1.00 0.00 C ATOM 733 C LEU A 43 28.209 19.642 25.192 1.00 0.00 C ATOM 734 O LEU A 43 28.817 20.405 25.914 1.00 0.00 O ATOM 735 CB LEU A 43 27.462 20.778 23.096 1.00 0.00 C ATOM 736 CG LEU A 43 28.284 21.718 22.212 1.00 0.00 C ATOM 737 CD1 LEU A 43 27.355 22.461 21.252 1.00 0.00 C ATOM 738 CD2 LEU A 43 29.020 22.730 23.094 1.00 0.00 C ATOM 0 H LEU A 43 27.118 18.359 22.574 1.00 0.00 H new ATOM 0 HA LEU A 43 29.409 19.915 23.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.659 20.325 22.515 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.993 21.339 23.904 1.00 0.00 H new ATOM 0 HG LEU A 43 29.007 21.138 21.639 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.942 23.130 20.623 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.829 21.741 20.625 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.631 23.042 21.823 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.606 23.401 22.466 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.295 23.309 23.666 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.683 22.201 23.779 1.00 0.00 H new ATOM 750 N ALA A 44 27.397 18.747 25.684 1.00 0.00 N ATOM 751 CA ALA A 44 27.200 18.651 27.157 1.00 0.00 C ATOM 752 C ALA A 44 28.100 17.551 27.722 1.00 0.00 C ATOM 753 O ALA A 44 28.022 17.209 28.886 1.00 0.00 O ATOM 754 CB ALA A 44 25.739 18.314 27.455 1.00 0.00 C ATOM 0 H ALA A 44 26.862 18.079 25.130 1.00 0.00 H new ATOM 0 HA ALA A 44 27.456 19.604 27.620 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.594 18.244 28.533 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.096 19.097 27.053 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.484 17.361 26.992 1.00 0.00 H new ATOM 760 N SER A 45 28.954 16.988 26.909 1.00 0.00 N ATOM 761 CA SER A 45 29.853 15.908 27.405 1.00 0.00 C ATOM 762 C SER A 45 31.011 16.510 28.207 1.00 0.00 C ATOM 763 O SER A 45 31.267 16.093 29.319 1.00 0.00 O ATOM 764 CB SER A 45 30.418 15.118 26.224 1.00 0.00 C ATOM 765 OG SER A 45 29.677 15.422 25.053 1.00 0.00 O ATOM 0 H SER A 45 29.067 17.230 25.924 1.00 0.00 H new ATOM 0 HA SER A 45 29.276 15.244 28.048 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.469 15.366 26.077 1.00 0.00 H new ATOM 0 HB3 SER A 45 30.369 14.049 26.431 1.00 0.00 H new ATOM 0 HG SER A 45 28.757 15.101 25.155 1.00 0.00 H new ATOM 771 N PRO A 46 31.690 17.465 27.618 1.00 0.00 N ATOM 772 CA PRO A 46 32.841 18.127 28.261 1.00 0.00 C ATOM 773 C PRO A 46 32.371 19.144 29.306 1.00 0.00 C ATOM 774 O PRO A 46 32.421 18.890 30.493 1.00 0.00 O ATOM 775 CB PRO A 46 33.551 18.824 27.096 1.00 0.00 C ATOM 776 CG PRO A 46 32.493 18.998 25.980 1.00 0.00 C ATOM 777 CD PRO A 46 31.377 17.974 26.266 1.00 0.00 C ATOM 0 HA PRO A 46 33.488 17.431 28.795 1.00 0.00 H new ATOM 0 HB2 PRO A 46 33.950 19.790 27.406 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.393 18.229 26.743 1.00 0.00 H new ATOM 0 HG2 PRO A 46 32.096 20.013 25.978 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.934 18.826 24.998 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.392 18.439 26.234 1.00 0.00 H new ATOM 0 HD3 PRO A 46 31.375 17.171 25.529 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.563 -3.866 10.614 1.00 0.00 N ATOM 1508 CA GLU B 17 0.297 -4.079 11.809 1.00 0.00 C ATOM 1509 C GLU B 17 1.719 -3.618 11.488 1.00 0.00 C ATOM 1510 O GLU B 17 2.414 -3.094 12.329 1.00 0.00 O ATOM 1511 CB GLU B 17 0.312 -5.566 12.172 1.00 0.00 C ATOM 1512 CG GLU B 17 0.983 -5.754 13.534 1.00 0.00 C ATOM 1513 CD GLU B 17 1.805 -7.045 13.523 1.00 0.00 C ATOM 1514 OE1 GLU B 17 2.331 -7.381 12.475 1.00 0.00 O ATOM 1515 OE2 GLU B 17 1.894 -7.675 14.565 1.00 0.00 O ATOM 0 HA GLU B 17 -0.095 -3.508 12.650 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.706 -5.954 12.200 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.848 -6.132 11.410 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.626 -4.902 13.755 1.00 0.00 H new ATOM 0 HG3 GLU B 17 0.229 -5.797 14.320 1.00 0.00 H new ATOM 1522 N ILE B 18 2.156 -3.808 10.273 1.00 0.00 N ATOM 1523 CA ILE B 18 3.534 -3.374 9.905 1.00 0.00 C ATOM 1524 C ILE B 18 3.584 -1.847 9.840 1.00 0.00 C ATOM 1525 O ILE B 18 4.633 -1.245 9.962 1.00 0.00 O ATOM 1526 CB ILE B 18 3.917 -3.957 8.543 1.00 0.00 C ATOM 1527 CG1 ILE B 18 2.712 -3.901 7.601 1.00 0.00 C ATOM 1528 CG2 ILE B 18 4.358 -5.411 8.720 1.00 0.00 C ATOM 1529 CD1 ILE B 18 3.190 -3.986 6.151 1.00 0.00 C ATOM 0 H ILE B 18 1.621 -4.243 9.522 1.00 0.00 H new ATOM 0 HA ILE B 18 4.237 -3.732 10.657 1.00 0.00 H new ATOM 0 HB ILE B 18 4.735 -3.375 8.117 1.00 0.00 H new ATOM 0 HG12 ILE B 18 2.029 -4.723 7.818 1.00 0.00 H new ATOM 0 HG13 ILE B 18 2.158 -2.976 7.758 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.631 -5.829 7.751 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.218 -5.452 9.388 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.539 -5.990 9.147 1.00 0.00 H new ATOM 0 HD11 ILE B 18 2.331 -3.946 5.482 1.00 0.00 H new ATOM 0 HD12 ILE B 18 3.855 -3.149 5.938 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.725 -4.923 5.999 1.00 0.00 H new ATOM 1541 N LEU B 19 2.460 -1.213 9.658 1.00 0.00 N ATOM 1542 CA LEU B 19 2.446 0.273 9.594 1.00 0.00 C ATOM 1543 C LEU B 19 2.323 0.833 11.012 1.00 0.00 C ATOM 1544 O LEU B 19 2.937 1.822 11.358 1.00 0.00 O ATOM 1545 CB LEU B 19 1.255 0.736 8.751 1.00 0.00 C ATOM 1546 CG LEU B 19 1.115 -0.171 7.528 1.00 0.00 C ATOM 1547 CD1 LEU B 19 -0.194 0.147 6.804 1.00 0.00 C ATOM 1548 CD2 LEU B 19 2.292 0.067 6.580 1.00 0.00 C ATOM 0 H LEU B 19 1.550 -1.661 9.551 1.00 0.00 H new ATOM 0 HA LEU B 19 3.369 0.632 9.138 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.342 0.707 9.345 1.00 0.00 H new ATOM 0 HB3 LEU B 19 1.398 1.770 8.436 1.00 0.00 H new ATOM 0 HG LEU B 19 1.110 -1.213 7.847 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.294 -0.499 5.932 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.033 -0.022 7.479 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.189 1.189 6.484 1.00 0.00 H new ATOM 0 HD21 LEU B 19 2.193 -0.579 5.708 1.00 0.00 H new ATOM 0 HD22 LEU B 19 2.297 1.109 6.261 1.00 0.00 H new ATOM 0 HD23 LEU B 19 3.226 -0.159 7.095 1.00 0.00 H new ATOM 1560 N LYS B 20 1.540 0.197 11.839 1.00 0.00 N ATOM 1561 CA LYS B 20 1.381 0.679 13.237 1.00 0.00 C ATOM 1562 C LYS B 20 2.641 0.336 14.027 1.00 0.00 C ATOM 1563 O LYS B 20 2.995 1.011 14.969 1.00 0.00 O ATOM 1564 CB LYS B 20 0.174 -0.003 13.882 1.00 0.00 C ATOM 1565 CG LYS B 20 -0.071 0.597 15.266 1.00 0.00 C ATOM 1566 CD LYS B 20 0.187 -0.464 16.336 1.00 0.00 C ATOM 1567 CE LYS B 20 -0.643 -0.149 17.581 1.00 0.00 C ATOM 1568 NZ LYS B 20 -1.871 -0.991 17.582 1.00 0.00 N ATOM 0 H LYS B 20 1.003 -0.638 11.605 1.00 0.00 H new ATOM 0 HA LYS B 20 1.226 1.758 13.238 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -0.709 0.128 13.256 1.00 0.00 H new ATOM 0 HB3 LYS B 20 0.350 -1.075 13.965 1.00 0.00 H new ATOM 0 HG2 LYS B 20 0.584 1.454 15.423 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.096 0.961 15.340 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -0.073 -1.451 15.954 1.00 0.00 H new ATOM 0 HD3 LYS B 20 1.247 -0.489 16.590 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -0.057 -0.340 18.480 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -0.913 0.907 17.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -2.437 -0.778 18.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -2.432 -0.788 16.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -1.603 -1.996 17.588 1.00 0.00 H new ATOM 1582 N GLU B 21 3.328 -0.703 13.638 1.00 0.00 N ATOM 1583 CA GLU B 21 4.576 -1.085 14.355 1.00 0.00 C ATOM 1584 C GLU B 21 5.699 -0.164 13.895 1.00 0.00 C ATOM 1585 O GLU B 21 6.598 0.155 14.641 1.00 0.00 O ATOM 1586 CB GLU B 21 4.939 -2.535 14.033 1.00 0.00 C ATOM 1587 CG GLU B 21 5.193 -3.300 15.334 1.00 0.00 C ATOM 1588 CD GLU B 21 6.696 -3.519 15.513 1.00 0.00 C ATOM 1589 OE1 GLU B 21 7.388 -3.601 14.511 1.00 0.00 O ATOM 1590 OE2 GLU B 21 7.131 -3.601 16.650 1.00 0.00 O ATOM 0 H GLU B 21 3.078 -1.304 12.853 1.00 0.00 H new ATOM 0 HA GLU B 21 4.428 -0.991 15.431 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.132 -3.007 13.473 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.826 -2.567 13.401 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.793 -2.742 16.180 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.675 -4.259 15.311 1.00 0.00 H new ATOM 1597 N GLN B 22 5.647 0.277 12.669 1.00 0.00 N ATOM 1598 CA GLN B 22 6.704 1.193 12.164 1.00 0.00 C ATOM 1599 C GLN B 22 6.490 2.569 12.793 1.00 0.00 C ATOM 1600 O GLN B 22 7.424 3.237 13.188 1.00 0.00 O ATOM 1601 CB GLN B 22 6.607 1.299 10.640 1.00 0.00 C ATOM 1602 CG GLN B 22 7.695 0.437 9.998 1.00 0.00 C ATOM 1603 CD GLN B 22 8.766 1.341 9.382 1.00 0.00 C ATOM 1604 OE1 GLN B 22 8.761 2.538 9.595 1.00 0.00 O ATOM 1605 NE2 GLN B 22 9.689 0.816 8.624 1.00 0.00 N ATOM 0 H GLN B 22 4.918 0.042 11.996 1.00 0.00 H new ATOM 0 HA GLN B 22 7.690 0.811 12.428 1.00 0.00 H new ATOM 0 HB2 GLN B 22 5.623 0.971 10.304 1.00 0.00 H new ATOM 0 HB3 GLN B 22 6.720 2.338 10.329 1.00 0.00 H new ATOM 0 HG2 GLN B 22 8.143 -0.218 10.745 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.260 -0.204 9.231 1.00 0.00 H new ATOM 0 HE21 GLN B 22 9.692 -0.188 8.446 1.00 0.00 H new ATOM 0 HE22 GLN B 22 10.407 1.410 8.210 1.00 0.00 H new ATOM 1614 N ILE B 23 5.260 2.994 12.900 1.00 0.00 N ATOM 1615 CA ILE B 23 4.980 4.320 13.515 1.00 0.00 C ATOM 1616 C ILE B 23 5.090 4.199 15.035 1.00 0.00 C ATOM 1617 O ILE B 23 5.390 5.153 15.721 1.00 0.00 O ATOM 1618 CB ILE B 23 3.569 4.776 13.139 1.00 0.00 C ATOM 1619 CG1 ILE B 23 3.238 6.069 13.887 1.00 0.00 C ATOM 1620 CG2 ILE B 23 2.563 3.692 13.526 1.00 0.00 C ATOM 1621 CD1 ILE B 23 1.838 6.544 13.495 1.00 0.00 C ATOM 0 H ILE B 23 4.437 2.479 12.587 1.00 0.00 H new ATOM 0 HA ILE B 23 5.701 5.052 13.150 1.00 0.00 H new ATOM 0 HB ILE B 23 3.517 4.952 12.065 1.00 0.00 H new ATOM 0 HG12 ILE B 23 3.288 5.902 14.963 1.00 0.00 H new ATOM 0 HG13 ILE B 23 3.974 6.837 13.649 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.557 4.017 13.258 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.800 2.770 12.996 1.00 0.00 H new ATOM 0 HG23 ILE B 23 2.613 3.516 14.600 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.604 7.465 14.029 1.00 0.00 H new ATOM 0 HD12 ILE B 23 1.804 6.728 12.421 1.00 0.00 H new ATOM 0 HD13 ILE B 23 1.108 5.778 13.755 1.00 0.00 H new ATOM 1633 N ARG B 24 4.861 3.026 15.565 1.00 0.00 N ATOM 1634 CA ARG B 24 4.966 2.842 17.040 1.00 0.00 C ATOM 1635 C ARG B 24 6.443 2.791 17.423 1.00 0.00 C ATOM 1636 O ARG B 24 6.847 3.302 18.444 1.00 0.00 O ATOM 1637 CB ARG B 24 4.297 1.528 17.454 1.00 0.00 C ATOM 1638 CG ARG B 24 2.875 1.806 17.947 1.00 0.00 C ATOM 1639 CD ARG B 24 2.822 1.645 19.468 1.00 0.00 C ATOM 1640 NE ARG B 24 2.981 0.206 19.823 1.00 0.00 N ATOM 1641 CZ ARG B 24 3.648 -0.133 20.892 1.00 0.00 C ATOM 1642 NH1 ARG B 24 4.799 0.428 21.151 1.00 0.00 N ATOM 1643 NH2 ARG B 24 3.166 -1.037 21.702 1.00 0.00 N ATOM 0 H ARG B 24 4.606 2.189 15.040 1.00 0.00 H new ATOM 0 HA ARG B 24 4.470 3.670 17.546 1.00 0.00 H new ATOM 0 HB2 ARG B 24 4.271 0.840 16.609 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.877 1.045 18.241 1.00 0.00 H new ATOM 0 HG2 ARG B 24 2.572 2.815 17.667 1.00 0.00 H new ATOM 0 HG3 ARG B 24 2.174 1.119 17.473 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.611 2.235 19.934 1.00 0.00 H new ATOM 0 HD3 ARG B 24 1.874 2.022 19.851 1.00 0.00 H new ATOM 0 HE ARG B 24 2.568 -0.514 19.230 1.00 0.00 H new ATOM 0 HH11 ARG B 24 5.177 1.132 20.517 1.00 0.00 H new ATOM 0 HH12 ARG B 24 5.319 0.162 21.987 1.00 0.00 H new ATOM 0 HH21 ARG B 24 2.269 -1.478 21.499 1.00 0.00 H new ATOM 0 HH22 ARG B 24 3.687 -1.303 22.538 1.00 0.00 H new ATOM 1657 N GLU B 25 7.249 2.184 16.598 1.00 0.00 N ATOM 1658 CA GLU B 25 8.703 2.101 16.897 1.00 0.00 C ATOM 1659 C GLU B 25 9.348 3.440 16.551 1.00 0.00 C ATOM 1660 O GLU B 25 10.318 3.847 17.154 1.00 0.00 O ATOM 1661 CB GLU B 25 9.338 0.988 16.058 1.00 0.00 C ATOM 1662 CG GLU B 25 9.607 -0.227 16.947 1.00 0.00 C ATOM 1663 CD GLU B 25 10.908 -0.903 16.511 1.00 0.00 C ATOM 1664 OE1 GLU B 25 11.381 -0.593 15.430 1.00 0.00 O ATOM 1665 OE2 GLU B 25 11.411 -1.719 17.266 1.00 0.00 O ATOM 0 H GLU B 25 6.961 1.740 15.726 1.00 0.00 H new ATOM 0 HA GLU B 25 8.855 1.877 17.953 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.675 0.713 15.238 1.00 0.00 H new ATOM 0 HB3 GLU B 25 10.268 1.339 15.612 1.00 0.00 H new ATOM 0 HG2 GLU B 25 9.677 0.081 17.990 1.00 0.00 H new ATOM 0 HG3 GLU B 25 8.778 -0.932 16.878 1.00 0.00 H new ATOM 1672 N LEU B 26 8.803 4.133 15.590 1.00 0.00 N ATOM 1673 CA LEU B 26 9.369 5.455 15.215 1.00 0.00 C ATOM 1674 C LEU B 26 8.924 6.485 16.253 1.00 0.00 C ATOM 1675 O LEU B 26 9.623 7.434 16.541 1.00 0.00 O ATOM 1676 CB LEU B 26 8.855 5.862 13.833 1.00 0.00 C ATOM 1677 CG LEU B 26 9.949 5.631 12.791 1.00 0.00 C ATOM 1678 CD1 LEU B 26 11.128 6.562 13.076 1.00 0.00 C ATOM 1679 CD2 LEU B 26 10.422 4.177 12.860 1.00 0.00 C ATOM 0 H LEU B 26 7.990 3.839 15.049 1.00 0.00 H new ATOM 0 HA LEU B 26 10.457 5.401 15.185 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.968 5.282 13.578 1.00 0.00 H new ATOM 0 HB3 LEU B 26 8.559 6.911 13.838 1.00 0.00 H new ATOM 0 HG LEU B 26 9.552 5.838 11.797 1.00 0.00 H new ATOM 0 HD11 LEU B 26 11.909 6.398 12.333 1.00 0.00 H new ATOM 0 HD12 LEU B 26 10.793 7.598 13.028 1.00 0.00 H new ATOM 0 HD13 LEU B 26 11.524 6.354 14.070 1.00 0.00 H new ATOM 0 HD21 LEU B 26 11.202 4.013 12.117 1.00 0.00 H new ATOM 0 HD22 LEU B 26 10.818 3.970 13.854 1.00 0.00 H new ATOM 0 HD23 LEU B 26 9.583 3.511 12.658 1.00 0.00 H new ATOM 1691 N VAL B 27 7.769 6.290 16.827 1.00 0.00 N ATOM 1692 CA VAL B 27 7.275 7.241 17.861 1.00 0.00 C ATOM 1693 C VAL B 27 7.921 6.886 19.198 1.00 0.00 C ATOM 1694 O VAL B 27 8.170 7.737 20.027 1.00 0.00 O ATOM 1695 CB VAL B 27 5.755 7.130 17.979 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.264 8.040 19.106 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.111 7.561 16.660 1.00 0.00 C ATOM 0 H VAL B 27 7.144 5.510 16.623 1.00 0.00 H new ATOM 0 HA VAL B 27 7.534 8.262 17.581 1.00 0.00 H new ATOM 0 HB VAL B 27 5.481 6.098 18.199 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.180 7.962 19.191 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.725 7.736 20.046 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.537 9.072 18.885 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.027 7.483 16.742 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.385 8.593 16.442 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.462 6.915 15.856 1.00 0.00 H new ATOM 1707 N GLU B 28 8.214 5.631 19.403 1.00 0.00 N ATOM 1708 CA GLU B 28 8.867 5.218 20.674 1.00 0.00 C ATOM 1709 C GLU B 28 10.340 5.598 20.586 1.00 0.00 C ATOM 1710 O GLU B 28 10.963 5.952 21.563 1.00 0.00 O ATOM 1711 CB GLU B 28 8.735 3.705 20.860 1.00 0.00 C ATOM 1712 CG GLU B 28 8.336 3.402 22.305 1.00 0.00 C ATOM 1713 CD GLU B 28 8.577 1.921 22.601 1.00 0.00 C ATOM 1714 OE1 GLU B 28 9.720 1.561 22.825 1.00 0.00 O ATOM 1715 OE2 GLU B 28 7.614 1.172 22.598 1.00 0.00 O ATOM 0 H GLU B 28 8.029 4.875 18.744 1.00 0.00 H new ATOM 0 HA GLU B 28 8.394 5.713 21.522 1.00 0.00 H new ATOM 0 HB2 GLU B 28 7.987 3.307 20.174 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.679 3.215 20.622 1.00 0.00 H new ATOM 0 HG2 GLU B 28 8.916 4.020 22.991 1.00 0.00 H new ATOM 0 HG3 GLU B 28 7.286 3.649 22.463 1.00 0.00 H new ATOM 1722 N LYS B 29 10.890 5.553 19.404 1.00 0.00 N ATOM 1723 CA LYS B 29 12.313 5.937 19.227 1.00 0.00 C ATOM 1724 C LYS B 29 12.400 7.458 19.317 1.00 0.00 C ATOM 1725 O LYS B 29 13.299 8.011 19.914 1.00 0.00 O ATOM 1726 CB LYS B 29 12.806 5.471 17.855 1.00 0.00 C ATOM 1727 CG LYS B 29 14.301 5.759 17.725 1.00 0.00 C ATOM 1728 CD LYS B 29 14.820 5.179 16.409 1.00 0.00 C ATOM 1729 CE LYS B 29 16.191 5.778 16.090 1.00 0.00 C ATOM 1730 NZ LYS B 29 16.149 6.427 14.750 1.00 0.00 N ATOM 0 H LYS B 29 10.410 5.265 18.551 1.00 0.00 H new ATOM 0 HA LYS B 29 12.932 5.474 19.995 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.618 4.404 17.733 1.00 0.00 H new ATOM 0 HB3 LYS B 29 12.256 5.984 17.066 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.479 6.834 17.756 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.841 5.322 18.565 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.894 4.094 16.482 1.00 0.00 H new ATOM 0 HD3 LYS B 29 14.120 5.397 15.602 1.00 0.00 H new ATOM 0 HE2 LYS B 29 16.467 6.508 16.851 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.953 4.999 16.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 16.910 7.132 14.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 16.277 5.706 14.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.230 6.896 14.620 1.00 0.00 H new ATOM 1744 N ASN B 30 11.448 8.138 18.741 1.00 0.00 N ATOM 1745 CA ASN B 30 11.452 9.621 18.812 1.00 0.00 C ATOM 1746 C ASN B 30 11.042 10.014 20.228 1.00 0.00 C ATOM 1747 O ASN B 30 11.361 11.082 20.711 1.00 0.00 O ATOM 1748 CB ASN B 30 10.446 10.189 17.807 1.00 0.00 C ATOM 1749 CG ASN B 30 10.865 11.605 17.410 1.00 0.00 C ATOM 1750 OD1 ASN B 30 11.471 11.807 16.377 1.00 0.00 O ATOM 1751 ND2 ASN B 30 10.562 12.602 18.195 1.00 0.00 N ATOM 0 H ASN B 30 10.669 7.729 18.225 1.00 0.00 H new ATOM 0 HA ASN B 30 12.440 10.015 18.574 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.399 9.551 16.924 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.448 10.203 18.244 1.00 0.00 H new ATOM 0 HD21 ASN B 30 10.834 13.552 17.941 1.00 0.00 H new ATOM 0 HD22 ASN B 30 10.053 12.432 19.062 1.00 0.00 H new ATOM 1758 N SER B 31 10.347 9.135 20.899 1.00 0.00 N ATOM 1759 CA SER B 31 9.914 9.419 22.292 1.00 0.00 C ATOM 1760 C SER B 31 11.138 9.391 23.201 1.00 0.00 C ATOM 1761 O SER B 31 11.378 10.307 23.954 1.00 0.00 O ATOM 1762 CB SER B 31 8.918 8.352 22.745 1.00 0.00 C ATOM 1763 OG SER B 31 7.605 8.745 22.371 1.00 0.00 O ATOM 0 H SER B 31 10.060 8.226 20.536 1.00 0.00 H new ATOM 0 HA SER B 31 9.437 10.398 22.340 1.00 0.00 H new ATOM 0 HB2 SER B 31 9.165 7.392 22.292 1.00 0.00 H new ATOM 0 HB3 SER B 31 8.976 8.219 23.825 1.00 0.00 H new ATOM 0 HG SER B 31 7.391 8.374 21.490 1.00 0.00 H new ATOM 1769 N GLN B 32 11.923 8.349 23.133 1.00 0.00 N ATOM 1770 CA GLN B 32 13.135 8.288 23.993 1.00 0.00 C ATOM 1771 C GLN B 32 14.108 9.365 23.524 1.00 0.00 C ATOM 1772 O GLN B 32 14.914 9.863 24.283 1.00 0.00 O ATOM 1773 CB GLN B 32 13.792 6.908 23.889 1.00 0.00 C ATOM 1774 CG GLN B 32 13.847 6.477 22.426 1.00 0.00 C ATOM 1775 CD GLN B 32 15.304 6.282 22.005 1.00 0.00 C ATOM 1776 OE1 GLN B 32 16.206 6.804 22.631 1.00 0.00 O ATOM 1777 NE2 GLN B 32 15.575 5.545 20.963 1.00 0.00 N ATOM 0 H GLN B 32 11.777 7.544 22.523 1.00 0.00 H new ATOM 0 HA GLN B 32 12.860 8.456 25.034 1.00 0.00 H new ATOM 0 HB2 GLN B 32 14.798 6.940 24.307 1.00 0.00 H new ATOM 0 HB3 GLN B 32 13.228 6.180 24.472 1.00 0.00 H new ATOM 0 HG2 GLN B 32 13.291 5.550 22.288 1.00 0.00 H new ATOM 0 HG3 GLN B 32 13.373 7.230 21.796 1.00 0.00 H new ATOM 0 HE21 GLN B 32 14.818 5.107 20.438 1.00 0.00 H new ATOM 0 HE22 GLN B 32 16.543 5.407 20.674 1.00 0.00 H new ATOM 1786 N LEU B 33 14.021 9.746 22.280 1.00 0.00 N ATOM 1787 CA LEU B 33 14.923 10.810 21.766 1.00 0.00 C ATOM 1788 C LEU B 33 14.409 12.162 22.259 1.00 0.00 C ATOM 1789 O LEU B 33 15.158 13.103 22.415 1.00 0.00 O ATOM 1790 CB LEU B 33 14.922 10.789 20.236 1.00 0.00 C ATOM 1791 CG LEU B 33 16.132 9.997 19.737 1.00 0.00 C ATOM 1792 CD1 LEU B 33 15.656 8.845 18.851 1.00 0.00 C ATOM 1793 CD2 LEU B 33 17.046 10.922 18.930 1.00 0.00 C ATOM 0 H LEU B 33 13.364 9.366 21.599 1.00 0.00 H new ATOM 0 HA LEU B 33 15.939 10.643 22.123 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.001 10.337 19.868 1.00 0.00 H new ATOM 0 HB3 LEU B 33 14.955 11.807 19.847 1.00 0.00 H new ATOM 0 HG LEU B 33 16.682 9.595 20.588 1.00 0.00 H new ATOM 0 HD11 LEU B 33 16.517 8.280 18.495 1.00 0.00 H new ATOM 0 HD12 LEU B 33 15.004 8.188 19.427 1.00 0.00 H new ATOM 0 HD13 LEU B 33 15.107 9.245 17.999 1.00 0.00 H new ATOM 0 HD21 LEU B 33 17.909 10.360 18.573 1.00 0.00 H new ATOM 0 HD22 LEU B 33 16.497 11.323 18.078 1.00 0.00 H new ATOM 0 HD23 LEU B 33 17.384 11.743 19.563 1.00 0.00 H new ATOM 1805 N GLU B 34 13.132 12.259 22.515 1.00 0.00 N ATOM 1806 CA GLU B 34 12.566 13.544 23.008 1.00 0.00 C ATOM 1807 C GLU B 34 12.812 13.658 24.513 1.00 0.00 C ATOM 1808 O GLU B 34 13.041 14.730 25.035 1.00 0.00 O ATOM 1809 CB GLU B 34 11.061 13.582 22.734 1.00 0.00 C ATOM 1810 CG GLU B 34 10.501 14.942 23.158 1.00 0.00 C ATOM 1811 CD GLU B 34 10.121 15.750 21.916 1.00 0.00 C ATOM 1812 OE1 GLU B 34 11.003 16.023 21.119 1.00 0.00 O ATOM 1813 OE2 GLU B 34 8.955 16.081 21.784 1.00 0.00 O ATOM 0 H GLU B 34 12.457 11.502 22.403 1.00 0.00 H new ATOM 0 HA GLU B 34 13.047 14.375 22.493 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.869 13.411 21.675 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.560 12.783 23.281 1.00 0.00 H new ATOM 0 HG2 GLU B 34 9.628 14.804 23.796 1.00 0.00 H new ATOM 0 HG3 GLU B 34 11.242 15.485 23.745 1.00 0.00 H new ATOM 1820 N ARG B 35 12.779 12.557 25.211 1.00 0.00 N ATOM 1821 CA ARG B 35 13.018 12.595 26.679 1.00 0.00 C ATOM 1822 C ARG B 35 14.518 12.721 26.932 1.00 0.00 C ATOM 1823 O ARG B 35 14.947 13.308 27.905 1.00 0.00 O ATOM 1824 CB ARG B 35 12.498 11.305 27.319 1.00 0.00 C ATOM 1825 CG ARG B 35 11.164 11.583 28.014 1.00 0.00 C ATOM 1826 CD ARG B 35 10.019 11.024 27.167 1.00 0.00 C ATOM 1827 NE ARG B 35 9.626 9.685 27.687 1.00 0.00 N ATOM 1828 CZ ARG B 35 8.953 9.588 28.801 1.00 0.00 C ATOM 1829 NH1 ARG B 35 7.805 10.196 28.923 1.00 0.00 N ATOM 1830 NH2 ARG B 35 9.427 8.883 29.790 1.00 0.00 N ATOM 0 H ARG B 35 12.596 11.630 24.826 1.00 0.00 H new ATOM 0 HA ARG B 35 12.495 13.446 27.116 1.00 0.00 H new ATOM 0 HB2 ARG B 35 12.371 10.535 26.558 1.00 0.00 H new ATOM 0 HB3 ARG B 35 13.223 10.925 28.039 1.00 0.00 H new ATOM 0 HG2 ARG B 35 11.155 11.125 29.003 1.00 0.00 H new ATOM 0 HG3 ARG B 35 11.034 12.656 28.158 1.00 0.00 H new ATOM 0 HD2 ARG B 35 9.166 11.702 27.196 1.00 0.00 H new ATOM 0 HD3 ARG B 35 10.328 10.945 26.125 1.00 0.00 H new ATOM 0 HE ARG B 35 9.883 8.843 27.172 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.434 10.746 28.148 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.278 10.121 29.793 1.00 0.00 H new ATOM 0 HH21 ARG B 35 10.324 8.407 29.693 1.00 0.00 H new ATOM 0 HH22 ARG B 35 8.901 8.807 30.661 1.00 0.00 H new ATOM 1844 N GLU B 36 15.321 12.181 26.058 1.00 0.00 N ATOM 1845 CA GLU B 36 16.794 12.278 26.245 1.00 0.00 C ATOM 1846 C GLU B 36 17.273 13.625 25.703 1.00 0.00 C ATOM 1847 O GLU B 36 18.188 14.228 26.226 1.00 0.00 O ATOM 1848 CB GLU B 36 17.485 11.136 25.493 1.00 0.00 C ATOM 1849 CG GLU B 36 17.483 11.425 23.989 1.00 0.00 C ATOM 1850 CD GLU B 36 17.970 10.187 23.232 1.00 0.00 C ATOM 1851 OE1 GLU B 36 18.079 9.143 23.854 1.00 0.00 O ATOM 1852 OE2 GLU B 36 18.225 10.304 22.045 1.00 0.00 O ATOM 0 H GLU B 36 15.021 11.677 25.223 1.00 0.00 H new ATOM 0 HA GLU B 36 17.040 12.201 27.304 1.00 0.00 H new ATOM 0 HB2 GLU B 36 18.509 11.022 25.849 1.00 0.00 H new ATOM 0 HB3 GLU B 36 16.972 10.195 25.692 1.00 0.00 H new ATOM 0 HG2 GLU B 36 16.479 11.694 23.661 1.00 0.00 H new ATOM 0 HG3 GLU B 36 18.128 12.276 23.770 1.00 0.00 H new ATOM 1859 N ASN B 37 16.653 14.102 24.660 1.00 0.00 N ATOM 1860 CA ASN B 37 17.059 15.411 24.080 1.00 0.00 C ATOM 1861 C ASN B 37 16.521 16.536 24.963 1.00 0.00 C ATOM 1862 O ASN B 37 17.113 17.589 25.072 1.00 0.00 O ATOM 1863 CB ASN B 37 16.483 15.545 22.668 1.00 0.00 C ATOM 1864 CG ASN B 37 16.635 16.989 22.188 1.00 0.00 C ATOM 1865 OD1 ASN B 37 17.542 17.302 21.442 1.00 0.00 O ATOM 1866 ND2 ASN B 37 15.776 17.887 22.584 1.00 0.00 N ATOM 0 H ASN B 37 15.879 13.639 24.183 1.00 0.00 H new ATOM 0 HA ASN B 37 18.146 15.472 24.031 1.00 0.00 H new ATOM 0 HB2 ASN B 37 17.000 14.868 21.988 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.431 15.259 22.664 1.00 0.00 H new ATOM 0 HD21 ASN B 37 15.865 18.853 22.268 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.015 17.624 23.210 1.00 0.00 H new ATOM 1873 N THR B 38 15.406 16.316 25.601 1.00 0.00 N ATOM 1874 CA THR B 38 14.836 17.369 26.484 1.00 0.00 C ATOM 1875 C THR B 38 15.644 17.419 27.778 1.00 0.00 C ATOM 1876 O THR B 38 15.896 18.475 28.323 1.00 0.00 O ATOM 1877 CB THR B 38 13.376 17.038 26.805 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.576 17.258 25.652 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.887 17.933 27.945 1.00 0.00 C ATOM 0 H THR B 38 14.865 15.453 25.549 1.00 0.00 H new ATOM 0 HA THR B 38 14.881 18.335 25.981 1.00 0.00 H new ATOM 0 HB THR B 38 13.299 15.993 27.107 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.629 16.477 25.063 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.848 17.697 28.173 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.500 17.763 28.830 1.00 0.00 H new ATOM 0 HG23 THR B 38 12.964 18.978 27.646 1.00 0.00 H new ATOM 1887 N LEU B 39 16.058 16.284 28.273 1.00 0.00 N ATOM 1888 CA LEU B 39 16.855 16.271 29.529 1.00 0.00 C ATOM 1889 C LEU B 39 18.272 16.757 29.226 1.00 0.00 C ATOM 1890 O LEU B 39 18.907 17.393 30.039 1.00 0.00 O ATOM 1891 CB LEU B 39 16.907 14.849 30.093 1.00 0.00 C ATOM 1892 CG LEU B 39 16.097 14.786 31.390 1.00 0.00 C ATOM 1893 CD1 LEU B 39 14.898 13.856 31.203 1.00 0.00 C ATOM 1894 CD2 LEU B 39 16.984 14.251 32.516 1.00 0.00 C ATOM 0 H LEU B 39 15.878 15.368 27.862 1.00 0.00 H new ATOM 0 HA LEU B 39 16.391 16.928 30.264 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.506 14.143 29.366 1.00 0.00 H new ATOM 0 HB3 LEU B 39 17.940 14.559 30.282 1.00 0.00 H new ATOM 0 HG LEU B 39 15.743 15.785 31.645 1.00 0.00 H new ATOM 0 HD11 LEU B 39 14.323 13.813 32.128 1.00 0.00 H new ATOM 0 HD12 LEU B 39 14.266 14.235 30.400 1.00 0.00 H new ATOM 0 HD13 LEU B 39 15.249 12.856 30.947 1.00 0.00 H new ATOM 0 HD21 LEU B 39 16.409 14.205 33.441 1.00 0.00 H new ATOM 0 HD22 LEU B 39 17.337 13.252 32.258 1.00 0.00 H new ATOM 0 HD23 LEU B 39 17.839 14.914 32.652 1.00 0.00 H new ATOM 1906 N LEU B 40 18.770 16.469 28.056 1.00 0.00 N ATOM 1907 CA LEU B 40 20.142 16.925 27.704 1.00 0.00 C ATOM 1908 C LEU B 40 20.090 18.396 27.290 1.00 0.00 C ATOM 1909 O LEU B 40 21.049 19.126 27.432 1.00 0.00 O ATOM 1910 CB LEU B 40 20.680 16.082 26.547 1.00 0.00 C ATOM 1911 CG LEU B 40 20.988 14.671 27.049 1.00 0.00 C ATOM 1912 CD1 LEU B 40 21.351 13.776 25.863 1.00 0.00 C ATOM 1913 CD2 LEU B 40 22.166 14.726 28.024 1.00 0.00 C ATOM 0 H LEU B 40 18.287 15.939 27.330 1.00 0.00 H new ATOM 0 HA LEU B 40 20.800 16.811 28.565 1.00 0.00 H new ATOM 0 HB2 LEU B 40 19.948 16.042 25.741 1.00 0.00 H new ATOM 0 HB3 LEU B 40 21.581 16.539 26.137 1.00 0.00 H new ATOM 0 HG LEU B 40 20.113 14.265 27.556 1.00 0.00 H new ATOM 0 HD11 LEU B 40 21.571 12.770 26.220 1.00 0.00 H new ATOM 0 HD12 LEU B 40 20.514 13.739 25.166 1.00 0.00 H new ATOM 0 HD13 LEU B 40 22.227 14.181 25.357 1.00 0.00 H new ATOM 0 HD21 LEU B 40 22.388 13.721 28.384 1.00 0.00 H new ATOM 0 HD22 LEU B 40 23.041 15.131 27.515 1.00 0.00 H new ATOM 0 HD23 LEU B 40 21.910 15.365 28.869 1.00 0.00 H new ATOM 1925 N LYS B 41 18.970 18.841 26.789 1.00 0.00 N ATOM 1926 CA LYS B 41 18.854 20.267 26.377 1.00 0.00 C ATOM 1927 C LYS B 41 18.589 21.121 27.614 1.00 0.00 C ATOM 1928 O LYS B 41 18.985 22.267 27.686 1.00 0.00 O ATOM 1929 CB LYS B 41 17.699 20.432 25.388 1.00 0.00 C ATOM 1930 CG LYS B 41 17.732 21.847 24.808 1.00 0.00 C ATOM 1931 CD LYS B 41 16.829 21.918 23.576 1.00 0.00 C ATOM 1932 CE LYS B 41 15.492 22.552 23.960 1.00 0.00 C ATOM 1933 NZ LYS B 41 14.521 21.482 24.326 1.00 0.00 N ATOM 0 H LYS B 41 18.131 18.278 26.648 1.00 0.00 H new ATOM 0 HA LYS B 41 19.780 20.583 25.897 1.00 0.00 H new ATOM 0 HB2 LYS B 41 17.781 19.696 24.588 1.00 0.00 H new ATOM 0 HB3 LYS B 41 16.747 20.253 25.889 1.00 0.00 H new ATOM 0 HG2 LYS B 41 17.399 22.566 25.557 1.00 0.00 H new ATOM 0 HG3 LYS B 41 18.753 22.117 24.539 1.00 0.00 H new ATOM 0 HD2 LYS B 41 17.310 22.504 22.793 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.667 20.918 23.172 1.00 0.00 H new ATOM 0 HE2 LYS B 41 15.629 23.236 24.798 1.00 0.00 H new ATOM 0 HE3 LYS B 41 15.104 23.141 23.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 13.588 21.906 24.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 14.447 20.799 23.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 14.850 20.993 25.183 1.00 0.00 H new ATOM 1947 N THR B 42 17.929 20.569 28.595 1.00 0.00 N ATOM 1948 CA THR B 42 17.652 21.347 29.832 1.00 0.00 C ATOM 1949 C THR B 42 18.877 21.275 30.743 1.00 0.00 C ATOM 1950 O THR B 42 19.189 22.205 31.458 1.00 0.00 O ATOM 1951 CB THR B 42 16.437 20.756 30.555 1.00 0.00 C ATOM 1952 OG1 THR B 42 16.136 21.550 31.694 1.00 0.00 O ATOM 1953 CG2 THR B 42 16.749 19.325 30.996 1.00 0.00 C ATOM 0 H THR B 42 17.571 19.614 28.592 1.00 0.00 H new ATOM 0 HA THR B 42 17.440 22.385 29.575 1.00 0.00 H new ATOM 0 HB THR B 42 15.581 20.746 29.881 1.00 0.00 H new ATOM 0 HG1 THR B 42 15.358 21.175 32.158 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.884 18.906 31.510 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.981 18.717 30.121 1.00 0.00 H new ATOM 0 HG23 THR B 42 17.605 19.331 31.671 1.00 0.00 H new ATOM 1961 N LEU B 43 19.583 20.176 30.711 1.00 0.00 N ATOM 1962 CA LEU B 43 20.797 20.043 31.564 1.00 0.00 C ATOM 1963 C LEU B 43 21.920 20.889 30.962 1.00 0.00 C ATOM 1964 O LEU B 43 22.602 21.617 31.654 1.00 0.00 O ATOM 1965 CB LEU B 43 21.229 18.575 31.614 1.00 0.00 C ATOM 1966 CG LEU B 43 20.833 17.970 32.962 1.00 0.00 C ATOM 1967 CD1 LEU B 43 21.720 18.551 34.065 1.00 0.00 C ATOM 1968 CD2 LEU B 43 19.369 18.304 33.256 1.00 0.00 C ATOM 0 H LEU B 43 19.370 19.365 30.130 1.00 0.00 H new ATOM 0 HA LEU B 43 20.579 20.386 32.575 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.759 18.019 30.802 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.307 18.497 31.472 1.00 0.00 H new ATOM 0 HG LEU B 43 20.962 16.888 32.927 1.00 0.00 H new ATOM 0 HD11 LEU B 43 21.437 18.119 35.025 1.00 0.00 H new ATOM 0 HD12 LEU B 43 22.763 18.315 33.855 1.00 0.00 H new ATOM 0 HD13 LEU B 43 21.593 19.633 34.102 1.00 0.00 H new ATOM 0 HD21 LEU B 43 19.083 17.874 34.216 1.00 0.00 H new ATOM 0 HD22 LEU B 43 19.243 19.386 33.291 1.00 0.00 H new ATOM 0 HD23 LEU B 43 18.737 17.890 32.471 1.00 0.00 H new ATOM 1980 N ALA B 44 22.111 20.803 29.674 1.00 0.00 N ATOM 1981 CA ALA B 44 23.183 21.606 29.022 1.00 0.00 C ATOM 1982 C ALA B 44 22.709 23.056 28.881 1.00 0.00 C ATOM 1983 O ALA B 44 23.487 23.986 28.966 1.00 0.00 O ATOM 1984 CB ALA B 44 23.482 21.030 27.636 1.00 0.00 C ATOM 0 H ALA B 44 21.570 20.210 29.044 1.00 0.00 H new ATOM 0 HA ALA B 44 24.087 21.572 29.630 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.266 21.618 27.159 1.00 0.00 H new ATOM 0 HB2 ALA B 44 23.813 19.996 27.735 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.580 21.065 27.025 1.00 0.00 H new ATOM 1990 N SER B 45 21.438 23.251 28.667 1.00 0.00 N ATOM 1991 CA SER B 45 20.903 24.636 28.520 1.00 0.00 C ATOM 1992 C SER B 45 19.672 24.802 29.418 1.00 0.00 C ATOM 1993 O SER B 45 18.556 24.840 28.937 1.00 0.00 O ATOM 1994 CB SER B 45 20.508 24.875 27.062 1.00 0.00 C ATOM 1995 OG SER B 45 21.675 24.851 26.251 1.00 0.00 O ATOM 0 H SER B 45 20.743 22.509 28.587 1.00 0.00 H new ATOM 0 HA SER B 45 21.666 25.357 28.812 1.00 0.00 H new ATOM 0 HB2 SER B 45 19.806 24.109 26.733 1.00 0.00 H new ATOM 0 HB3 SER B 45 20.001 25.835 26.963 1.00 0.00 H new ATOM 0 HG SER B 45 21.426 25.002 25.315 1.00 0.00 H new ATOM 2001 N PRO B 46 19.916 24.887 30.702 1.00 0.00 N ATOM 2002 CA PRO B 46 18.849 25.041 31.710 1.00 0.00 C ATOM 2003 C PRO B 46 18.370 26.494 31.786 1.00 0.00 C ATOM 2004 O PRO B 46 17.217 26.790 31.539 1.00 0.00 O ATOM 2005 CB PRO B 46 19.535 24.635 33.017 1.00 0.00 C ATOM 2006 CG PRO B 46 21.053 24.827 32.794 1.00 0.00 C ATOM 2007 CD PRO B 46 21.278 24.833 31.269 1.00 0.00 C ATOM 0 HA PRO B 46 17.965 24.445 31.483 1.00 0.00 H new ATOM 0 HB2 PRO B 46 19.184 25.249 33.846 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.308 23.599 33.269 1.00 0.00 H new ATOM 0 HG2 PRO B 46 21.395 25.761 33.240 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.618 24.023 33.266 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.873 25.691 30.958 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.811 23.940 30.942 1.00 0.00 H new