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+ 152:sc= 0.194 (180deg=0.0187) USER MOD Single : A 22 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.1) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0422) USER MOD Single : A 30 ASN : amide:sc= -6.68! C(o=-6.7!,f=-5.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.957 K(o=-0.96,f=-1.5!) USER MOD Single : A 37 ASN : amide:sc= -2.07 K(o=-2.1,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot 106:sc= 1.22 USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= -0.21 (180deg=-0.993) USER MOD Single : A 42 THR OG1 : rot 78:sc= -0.245! 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 X(o=0,f=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -1.71! C(o=-1.7!,f=-5!) USER MOD Single : B 31 SER OG : rot 91:sc= 0.161 USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 ASN : amide:sc= -0.363 K(o=-0.36,f=-1.2) USER MOD Single : B 38 THR OG1 : rot 97:sc= 0.704 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 SER OG : rot -32:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -1.004 4.144 2.412 1.00 0.00 N ATOM 262 CA VAL A 16 -1.606 5.494 2.608 1.00 0.00 C ATOM 263 C VAL A 16 -0.503 6.548 2.499 1.00 0.00 C ATOM 264 O VAL A 16 0.520 6.453 3.141 1.00 0.00 O ATOM 265 CB VAL A 16 -2.274 5.586 3.986 1.00 0.00 C ATOM 266 CG1 VAL A 16 -3.561 6.408 3.874 1.00 0.00 C ATOM 267 CG2 VAL A 16 -2.618 4.183 4.498 1.00 0.00 C ATOM 0 HA VAL A 16 -2.364 5.666 1.844 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.586 6.065 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.037 6.474 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.323 7.410 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.241 5.926 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.092 4.259 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.301 3.699 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.706 3.592 4.581 1.00 0.00 H new ATOM 277 N GLU A 17 -0.703 7.547 1.682 1.00 0.00 N ATOM 278 CA GLU A 17 0.337 8.603 1.521 1.00 0.00 C ATOM 279 C GLU A 17 0.598 9.288 2.864 1.00 0.00 C ATOM 280 O GLU A 17 1.712 9.658 3.171 1.00 0.00 O ATOM 281 CB GLU A 17 -0.147 9.640 0.503 1.00 0.00 C ATOM 282 CG GLU A 17 1.060 10.321 -0.148 1.00 0.00 C ATOM 283 CD GLU A 17 1.834 9.301 -0.986 1.00 0.00 C ATOM 284 OE1 GLU A 17 1.240 8.734 -1.889 1.00 0.00 O ATOM 285 OE2 GLU A 17 3.006 9.105 -0.711 1.00 0.00 O ATOM 0 H GLU A 17 -1.543 7.677 1.118 1.00 0.00 H new ATOM 0 HA GLU A 17 1.262 8.146 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.760 9.158 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.775 10.383 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.729 11.147 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.709 10.744 0.619 1.00 0.00 H new ATOM 292 N ILE A 18 -0.417 9.464 3.667 1.00 0.00 N ATOM 293 CA ILE A 18 -0.212 10.129 4.985 1.00 0.00 C ATOM 294 C ILE A 18 0.586 9.202 5.905 1.00 0.00 C ATOM 295 O ILE A 18 1.368 9.648 6.720 1.00 0.00 O ATOM 296 CB ILE A 18 -1.568 10.446 5.622 1.00 0.00 C ATOM 297 CG1 ILE A 18 -2.466 9.209 5.564 1.00 0.00 C ATOM 298 CG2 ILE A 18 -2.235 11.593 4.860 1.00 0.00 C ATOM 299 CD1 ILE A 18 -3.468 9.253 6.719 1.00 0.00 C ATOM 0 H ILE A 18 -1.375 9.177 3.468 1.00 0.00 H new ATOM 0 HA ILE A 18 0.340 11.058 4.839 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.418 10.737 6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.994 9.174 4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.862 8.304 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.200 11.818 5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.599 12.477 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.382 11.302 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.109 8.372 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.930 9.268 7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.080 10.151 6.635 1.00 0.00 H new ATOM 311 N LEU A 19 0.402 7.914 5.779 1.00 0.00 N ATOM 312 CA LEU A 19 1.159 6.965 6.646 1.00 0.00 C ATOM 313 C LEU A 19 2.621 6.930 6.201 1.00 0.00 C ATOM 314 O LEU A 19 3.523 6.889 7.009 1.00 0.00 O ATOM 315 CB LEU A 19 0.560 5.561 6.519 1.00 0.00 C ATOM 316 CG LEU A 19 0.073 5.084 7.887 1.00 0.00 C ATOM 317 CD1 LEU A 19 1.199 5.230 8.910 1.00 0.00 C ATOM 318 CD2 LEU A 19 -1.125 5.932 8.321 1.00 0.00 C ATOM 0 H LEU A 19 -0.238 7.479 5.115 1.00 0.00 H new ATOM 0 HA LEU A 19 1.096 7.294 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.268 5.571 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.307 4.871 6.127 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.224 4.037 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.851 4.890 9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.053 4.628 8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.497 6.276 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.475 5.595 9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.826 6.978 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.928 5.828 7.591 1.00 0.00 H new ATOM 330 N LYS A 20 2.858 6.950 4.918 1.00 0.00 N ATOM 331 CA LYS A 20 4.258 6.922 4.417 1.00 0.00 C ATOM 332 C LYS A 20 4.901 8.281 4.680 1.00 0.00 C ATOM 333 O LYS A 20 6.093 8.389 4.874 1.00 0.00 O ATOM 334 CB LYS A 20 4.257 6.631 2.916 1.00 0.00 C ATOM 335 CG LYS A 20 5.695 6.624 2.397 1.00 0.00 C ATOM 336 CD LYS A 20 5.896 7.798 1.438 1.00 0.00 C ATOM 337 CE LYS A 20 5.749 7.311 -0.004 1.00 0.00 C ATOM 338 NZ LYS A 20 6.011 8.443 -0.938 1.00 0.00 N ATOM 0 H LYS A 20 2.140 6.985 4.195 1.00 0.00 H new ATOM 0 HA LYS A 20 4.822 6.143 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.784 5.668 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.673 7.385 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.394 6.697 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.904 5.684 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.165 8.580 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.883 8.237 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.447 6.497 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.746 6.916 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.377 8.073 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.127 8.962 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.713 9.085 -0.517 1.00 0.00 H new ATOM 352 N GLU A 21 4.113 9.319 4.707 1.00 0.00 N ATOM 353 CA GLU A 21 4.670 10.670 4.980 1.00 0.00 C ATOM 354 C GLU A 21 4.922 10.781 6.480 1.00 0.00 C ATOM 355 O GLU A 21 5.823 11.462 6.924 1.00 0.00 O ATOM 356 CB GLU A 21 3.667 11.741 4.546 1.00 0.00 C ATOM 357 CG GLU A 21 3.617 11.805 3.019 1.00 0.00 C ATOM 358 CD GLU A 21 4.928 12.385 2.488 1.00 0.00 C ATOM 359 OE1 GLU A 21 5.640 13.002 3.264 1.00 0.00 O ATOM 360 OE2 GLU A 21 5.200 12.202 1.312 1.00 0.00 O ATOM 0 H GLU A 21 3.105 9.289 4.551 1.00 0.00 H new ATOM 0 HA GLU A 21 5.598 10.816 4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.678 11.511 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.956 12.711 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.455 10.808 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.778 12.422 2.698 1.00 0.00 H new ATOM 367 N GLN A 22 4.132 10.095 7.260 1.00 0.00 N ATOM 368 CA GLN A 22 4.315 10.131 8.735 1.00 0.00 C ATOM 369 C GLN A 22 5.499 9.240 9.100 1.00 0.00 C ATOM 370 O GLN A 22 6.206 9.492 10.052 1.00 0.00 O ATOM 371 CB GLN A 22 3.052 9.605 9.422 1.00 0.00 C ATOM 372 CG GLN A 22 2.234 10.782 9.959 1.00 0.00 C ATOM 373 CD GLN A 22 1.310 11.306 8.858 1.00 0.00 C ATOM 374 OE1 GLN A 22 0.162 10.916 8.776 1.00 0.00 O ATOM 375 NE2 GLN A 22 1.764 12.178 8.002 1.00 0.00 N ATOM 0 H GLN A 22 3.364 9.508 6.935 1.00 0.00 H new ATOM 0 HA GLN A 22 4.500 11.154 9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.456 9.026 8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.322 8.934 10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.647 10.467 10.822 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.899 11.576 10.299 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.727 12.506 8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.156 12.533 7.264 1.00 0.00 H new ATOM 384 N ILE A 23 5.723 8.203 8.340 1.00 0.00 N ATOM 385 CA ILE A 23 6.866 7.297 8.629 1.00 0.00 C ATOM 386 C ILE A 23 8.158 7.990 8.193 1.00 0.00 C ATOM 387 O ILE A 23 9.146 7.974 8.895 1.00 0.00 O ATOM 388 CB ILE A 23 6.674 5.977 7.862 1.00 0.00 C ATOM 389 CG1 ILE A 23 5.813 5.030 8.703 1.00 0.00 C ATOM 390 CG2 ILE A 23 8.028 5.312 7.587 1.00 0.00 C ATOM 391 CD1 ILE A 23 5.177 3.974 7.796 1.00 0.00 C ATOM 0 H ILE A 23 5.161 7.945 7.529 1.00 0.00 H new ATOM 0 HA ILE A 23 6.919 7.074 9.695 1.00 0.00 H new ATOM 0 HB ILE A 23 6.186 6.190 6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.424 4.548 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.037 5.592 9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.872 4.380 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.647 5.981 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.529 5.102 8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.565 3.301 8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.553 4.464 7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.960 3.404 7.296 1.00 0.00 H new ATOM 403 N ARG A 24 8.152 8.613 7.047 1.00 0.00 N ATOM 404 CA ARG A 24 9.378 9.318 6.585 1.00 0.00 C ATOM 405 C ARG A 24 9.533 10.592 7.410 1.00 0.00 C ATOM 406 O ARG A 24 10.622 11.084 7.621 1.00 0.00 O ATOM 407 CB ARG A 24 9.249 9.674 5.103 1.00 0.00 C ATOM 408 CG ARG A 24 8.056 10.608 4.901 1.00 0.00 C ATOM 409 CD ARG A 24 8.517 11.882 4.193 1.00 0.00 C ATOM 410 NE ARG A 24 8.095 11.832 2.766 1.00 0.00 N ATOM 411 CZ ARG A 24 8.748 12.517 1.868 1.00 0.00 C ATOM 412 NH1 ARG A 24 9.014 13.777 2.077 1.00 0.00 N ATOM 413 NH2 ARG A 24 9.132 11.942 0.762 1.00 0.00 N ATOM 0 H ARG A 24 7.354 8.664 6.414 1.00 0.00 H new ATOM 0 HA ARG A 24 10.250 8.676 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.163 10.154 4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.119 8.768 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.287 10.110 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.608 10.856 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.089 12.758 4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.601 11.978 4.261 1.00 0.00 H new ATOM 0 HE ARG A 24 7.295 11.262 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.712 14.225 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.524 14.314 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.922 10.957 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.643 12.477 0.060 1.00 0.00 H new ATOM 427 N GLU A 25 8.441 11.118 7.894 1.00 0.00 N ATOM 428 CA GLU A 25 8.506 12.348 8.726 1.00 0.00 C ATOM 429 C GLU A 25 8.975 11.958 10.126 1.00 0.00 C ATOM 430 O GLU A 25 9.634 12.717 10.805 1.00 0.00 O ATOM 431 CB GLU A 25 7.117 12.988 8.804 1.00 0.00 C ATOM 432 CG GLU A 25 7.095 14.040 9.914 1.00 0.00 C ATOM 433 CD GLU A 25 5.887 14.960 9.722 1.00 0.00 C ATOM 434 OE1 GLU A 25 4.791 14.545 10.063 1.00 0.00 O ATOM 435 OE2 GLU A 25 6.078 16.063 9.236 1.00 0.00 O ATOM 0 H GLU A 25 7.503 10.745 7.747 1.00 0.00 H new ATOM 0 HA GLU A 25 9.200 13.065 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.864 13.448 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.365 12.224 8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.044 13.555 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.016 14.623 9.896 1.00 0.00 H new ATOM 442 N LEU A 26 8.659 10.765 10.552 1.00 0.00 N ATOM 443 CA LEU A 26 9.107 10.312 11.896 1.00 0.00 C ATOM 444 C LEU A 26 10.561 9.863 11.787 1.00 0.00 C ATOM 445 O LEU A 26 11.324 9.950 12.726 1.00 0.00 O ATOM 446 CB LEU A 26 8.241 9.142 12.370 1.00 0.00 C ATOM 447 CG LEU A 26 7.674 9.459 13.754 1.00 0.00 C ATOM 448 CD1 LEU A 26 8.808 9.895 14.682 1.00 0.00 C ATOM 449 CD2 LEU A 26 6.650 10.591 13.638 1.00 0.00 C ATOM 0 H LEU A 26 8.110 10.086 10.026 1.00 0.00 H new ATOM 0 HA LEU A 26 9.014 11.126 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.430 8.966 11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.834 8.228 12.408 1.00 0.00 H new ATOM 0 HG LEU A 26 7.192 8.570 14.161 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.404 10.121 15.669 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.540 9.091 14.765 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.290 10.784 14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.245 10.818 14.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.134 11.479 13.231 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.841 10.283 12.976 1.00 0.00 H new ATOM 461 N VAL A 27 10.950 9.403 10.629 1.00 0.00 N ATOM 462 CA VAL A 27 12.357 8.967 10.433 1.00 0.00 C ATOM 463 C VAL A 27 13.213 10.212 10.219 1.00 0.00 C ATOM 464 O VAL A 27 14.374 10.253 10.573 1.00 0.00 O ATOM 465 CB VAL A 27 12.447 8.055 9.206 1.00 0.00 C ATOM 466 CG1 VAL A 27 13.913 7.864 8.814 1.00 0.00 C ATOM 467 CG2 VAL A 27 11.829 6.695 9.538 1.00 0.00 C ATOM 0 H VAL A 27 10.350 9.311 9.809 1.00 0.00 H new ATOM 0 HA VAL A 27 12.709 8.414 11.304 1.00 0.00 H new ATOM 0 HB VAL A 27 11.907 8.510 8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.974 7.215 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.356 8.832 8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.455 7.409 9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.892 6.044 8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.371 6.242 10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.784 6.829 9.816 1.00 0.00 H new ATOM 477 N GLU A 28 12.634 11.240 9.660 1.00 0.00 N ATOM 478 CA GLU A 28 13.396 12.498 9.441 1.00 0.00 C ATOM 479 C GLU A 28 13.418 13.273 10.756 1.00 0.00 C ATOM 480 O GLU A 28 14.366 13.960 11.070 1.00 0.00 O ATOM 481 CB GLU A 28 12.716 13.331 8.353 1.00 0.00 C ATOM 482 CG GLU A 28 12.830 12.600 7.014 1.00 0.00 C ATOM 483 CD GLU A 28 14.250 12.756 6.467 1.00 0.00 C ATOM 484 OE1 GLU A 28 15.135 13.063 7.249 1.00 0.00 O ATOM 485 OE2 GLU A 28 14.429 12.568 5.274 1.00 0.00 O ATOM 0 H GLU A 28 11.664 11.261 9.346 1.00 0.00 H new ATOM 0 HA GLU A 28 14.414 12.275 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.668 13.493 8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.183 14.314 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.592 11.544 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.109 13.005 6.304 1.00 0.00 H new ATOM 492 N LYS A 29 12.384 13.138 11.541 1.00 0.00 N ATOM 493 CA LYS A 29 12.350 13.835 12.851 1.00 0.00 C ATOM 494 C LYS A 29 13.196 13.024 13.827 1.00 0.00 C ATOM 495 O LYS A 29 13.754 13.544 14.768 1.00 0.00 O ATOM 496 CB LYS A 29 10.908 13.919 13.358 1.00 0.00 C ATOM 497 CG LYS A 29 10.475 15.384 13.418 1.00 0.00 C ATOM 498 CD LYS A 29 9.656 15.729 12.172 1.00 0.00 C ATOM 499 CE LYS A 29 10.273 16.944 11.475 1.00 0.00 C ATOM 500 NZ LYS A 29 11.374 16.498 10.575 1.00 0.00 N ATOM 0 H LYS A 29 11.562 12.573 11.328 1.00 0.00 H new ATOM 0 HA LYS A 29 12.740 14.848 12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.246 13.359 12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.831 13.465 14.346 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.883 15.562 14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.351 16.030 13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.634 14.878 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.624 15.941 12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.512 17.472 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.657 17.645 12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.152 17.187 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.720 15.568 10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.019 16.428 9.600 1.00 0.00 H new ATOM 514 N ASN A 30 13.306 11.746 13.584 1.00 0.00 N ATOM 515 CA ASN A 30 14.130 10.878 14.468 1.00 0.00 C ATOM 516 C ASN A 30 15.602 11.107 14.136 1.00 0.00 C ATOM 517 O ASN A 30 16.447 11.134 15.005 1.00 0.00 O ATOM 518 CB ASN A 30 13.774 9.411 14.215 1.00 0.00 C ATOM 519 CG ASN A 30 12.853 8.907 15.324 1.00 0.00 C ATOM 520 OD1 ASN A 30 11.645 9.003 15.217 1.00 0.00 O ATOM 521 ND2 ASN A 30 13.374 8.370 16.391 1.00 0.00 N ATOM 0 H ASN A 30 12.857 11.264 12.805 1.00 0.00 H new ATOM 0 HA ASN A 30 13.939 11.119 15.514 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.284 9.307 13.247 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.681 8.807 14.180 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.769 8.029 17.138 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.387 8.290 16.479 1.00 0.00 H new ATOM 528 N SER A 31 15.909 11.281 12.880 1.00 0.00 N ATOM 529 CA SER A 31 17.323 11.521 12.482 1.00 0.00 C ATOM 530 C SER A 31 17.708 12.947 12.869 1.00 0.00 C ATOM 531 O SER A 31 18.820 13.212 13.275 1.00 0.00 O ATOM 532 CB SER A 31 17.467 11.347 10.969 1.00 0.00 C ATOM 533 OG SER A 31 18.604 12.074 10.518 1.00 0.00 O ATOM 0 H SER A 31 15.239 11.267 12.111 1.00 0.00 H new ATOM 0 HA SER A 31 17.975 10.809 12.988 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.575 10.291 10.721 1.00 0.00 H new ATOM 0 HB3 SER A 31 16.569 11.703 10.463 1.00 0.00 H new ATOM 0 HG SER A 31 18.700 11.963 9.549 1.00 0.00 H new ATOM 539 N GLN A 32 16.790 13.866 12.753 1.00 0.00 N ATOM 540 CA GLN A 32 17.096 15.273 13.125 1.00 0.00 C ATOM 541 C GLN A 32 17.125 15.380 14.648 1.00 0.00 C ATOM 542 O GLN A 32 17.855 16.167 15.214 1.00 0.00 O ATOM 543 CB GLN A 32 16.016 16.200 12.560 1.00 0.00 C ATOM 544 CG GLN A 32 16.678 17.340 11.784 1.00 0.00 C ATOM 545 CD GLN A 32 17.648 16.760 10.752 1.00 0.00 C ATOM 546 OE1 GLN A 32 18.841 16.713 10.981 1.00 0.00 O ATOM 547 NE2 GLN A 32 17.184 16.316 9.616 1.00 0.00 N ATOM 0 H GLN A 32 15.841 13.702 12.416 1.00 0.00 H new ATOM 0 HA GLN A 32 18.063 15.566 12.715 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.347 15.641 11.906 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.407 16.602 13.370 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.919 17.944 11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.211 17.999 12.469 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.183 16.355 9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.822 15.930 8.920 1.00 0.00 H new ATOM 556 N LEU A 33 16.343 14.576 15.315 1.00 0.00 N ATOM 557 CA LEU A 33 16.329 14.609 16.801 1.00 0.00 C ATOM 558 C LEU A 33 17.512 13.788 17.310 1.00 0.00 C ATOM 559 O LEU A 33 18.012 14.001 18.394 1.00 0.00 O ATOM 560 CB LEU A 33 15.020 14.009 17.317 1.00 0.00 C ATOM 561 CG LEU A 33 14.746 14.521 18.731 1.00 0.00 C ATOM 562 CD1 LEU A 33 14.254 15.969 18.664 1.00 0.00 C ATOM 563 CD2 LEU A 33 13.671 13.651 19.384 1.00 0.00 C ATOM 0 H LEU A 33 15.712 13.896 14.891 1.00 0.00 H new ATOM 0 HA LEU A 33 16.406 15.637 17.156 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.198 14.280 16.655 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.082 12.921 17.319 1.00 0.00 H new ATOM 0 HG LEU A 33 15.663 14.475 19.319 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.059 16.334 19.672 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.016 16.591 18.194 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.336 16.015 18.078 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.473 14.013 20.393 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.755 13.700 18.795 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.017 12.619 19.431 1.00 0.00 H new ATOM 575 N GLU A 34 17.976 12.861 16.517 1.00 0.00 N ATOM 576 CA GLU A 34 19.141 12.034 16.928 1.00 0.00 C ATOM 577 C GLU A 34 20.406 12.854 16.684 1.00 0.00 C ATOM 578 O GLU A 34 21.382 12.747 17.397 1.00 0.00 O ATOM 579 CB GLU A 34 19.183 10.751 16.095 1.00 0.00 C ATOM 580 CG GLU A 34 20.473 9.985 16.394 1.00 0.00 C ATOM 581 CD GLU A 34 20.345 8.549 15.881 1.00 0.00 C ATOM 582 OE1 GLU A 34 19.335 7.926 16.166 1.00 0.00 O ATOM 583 OE2 GLU A 34 21.260 8.095 15.212 1.00 0.00 O ATOM 0 H GLU A 34 17.594 12.641 15.597 1.00 0.00 H new ATOM 0 HA GLU A 34 19.064 11.761 17.980 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.318 10.129 16.324 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.130 10.993 15.034 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.320 10.478 15.918 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.667 9.983 17.467 1.00 0.00 H new ATOM 590 N ARG A 35 20.377 13.691 15.681 1.00 0.00 N ATOM 591 CA ARG A 35 21.557 14.546 15.384 1.00 0.00 C ATOM 592 C ARG A 35 21.559 15.722 16.357 1.00 0.00 C ATOM 593 O ARG A 35 22.592 16.164 16.811 1.00 0.00 O ATOM 594 CB ARG A 35 21.465 15.066 13.948 1.00 0.00 C ATOM 595 CG ARG A 35 22.443 14.296 13.060 1.00 0.00 C ATOM 596 CD ARG A 35 22.343 14.816 11.625 1.00 0.00 C ATOM 597 NE ARG A 35 23.433 15.802 11.376 1.00 0.00 N ATOM 598 CZ ARG A 35 24.410 15.500 10.566 1.00 0.00 C ATOM 599 NH1 ARG A 35 25.386 14.737 10.977 1.00 0.00 N ATOM 600 NH2 ARG A 35 24.412 15.960 9.345 1.00 0.00 N ATOM 0 H ARG A 35 19.583 13.818 15.054 1.00 0.00 H new ATOM 0 HA ARG A 35 22.475 13.969 15.493 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.448 14.949 13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 35 21.695 16.131 13.921 1.00 0.00 H new ATOM 0 HG2 ARG A 35 23.461 14.416 13.432 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.216 13.230 13.089 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.420 13.988 10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.372 15.283 11.463 1.00 0.00 H new ATOM 0 HE ARG A 35 23.415 16.711 11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 35 25.385 14.377 11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 35 26.150 14.501 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.649 16.556 9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.176 15.724 8.712 1.00 0.00 H new ATOM 614 N GLU A 36 20.400 16.221 16.691 1.00 0.00 N ATOM 615 CA GLU A 36 20.323 17.356 17.650 1.00 0.00 C ATOM 616 C GLU A 36 20.593 16.819 19.054 1.00 0.00 C ATOM 617 O GLU A 36 21.177 17.481 19.886 1.00 0.00 O ATOM 618 CB GLU A 36 18.928 17.983 17.596 1.00 0.00 C ATOM 619 CG GLU A 36 19.054 19.504 17.496 1.00 0.00 C ATOM 620 CD GLU A 36 19.040 19.922 16.024 1.00 0.00 C ATOM 621 OE1 GLU A 36 20.036 19.697 15.357 1.00 0.00 O ATOM 622 OE2 GLU A 36 18.035 20.460 15.591 1.00 0.00 O ATOM 0 H GLU A 36 19.502 15.890 16.339 1.00 0.00 H new ATOM 0 HA GLU A 36 21.060 18.116 17.392 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.377 17.596 16.739 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.362 17.712 18.487 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.233 19.983 18.029 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.978 19.835 17.970 1.00 0.00 H new ATOM 629 N ASN A 37 20.184 15.607 19.310 1.00 0.00 N ATOM 630 CA ASN A 37 20.426 14.998 20.646 1.00 0.00 C ATOM 631 C ASN A 37 21.890 14.581 20.721 1.00 0.00 C ATOM 632 O ASN A 37 22.501 14.600 21.768 1.00 0.00 O ATOM 633 CB ASN A 37 19.532 13.770 20.819 1.00 0.00 C ATOM 634 CG ASN A 37 19.466 13.385 22.297 1.00 0.00 C ATOM 635 OD1 ASN A 37 20.401 13.613 23.040 1.00 0.00 O ATOM 636 ND2 ASN A 37 18.390 12.809 22.760 1.00 0.00 N ATOM 0 H ASN A 37 19.690 15.010 18.647 1.00 0.00 H new ATOM 0 HA ASN A 37 20.197 15.714 21.435 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.531 13.981 20.443 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.923 12.938 20.234 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.334 12.550 23.745 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.606 12.618 22.137 1.00 0.00 H new ATOM 643 N THR A 38 22.460 14.218 19.605 1.00 0.00 N ATOM 644 CA THR A 38 23.890 13.818 19.593 1.00 0.00 C ATOM 645 C THR A 38 24.736 15.081 19.708 1.00 0.00 C ATOM 646 O THR A 38 25.798 15.081 20.292 1.00 0.00 O ATOM 647 CB THR A 38 24.211 13.099 18.281 1.00 0.00 C ATOM 648 OG1 THR A 38 23.532 11.852 18.249 1.00 0.00 O ATOM 649 CG2 THR A 38 25.719 12.866 18.180 1.00 0.00 C ATOM 0 H THR A 38 21.993 14.182 18.699 1.00 0.00 H new ATOM 0 HA THR A 38 24.103 13.144 20.423 1.00 0.00 H new ATOM 0 HB THR A 38 23.885 13.712 17.441 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.779 11.905 17.624 1.00 0.00 H new ATOM 0 HG21 THR A 38 25.946 12.354 17.245 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.238 13.824 18.204 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.050 12.253 19.019 1.00 0.00 H new ATOM 657 N LEU A 39 24.257 16.166 19.165 1.00 0.00 N ATOM 658 CA LEU A 39 25.011 17.445 19.244 1.00 0.00 C ATOM 659 C LEU A 39 24.871 18.010 20.655 1.00 0.00 C ATOM 660 O LEU A 39 25.779 18.614 21.187 1.00 0.00 O ATOM 661 CB LEU A 39 24.432 18.437 18.231 1.00 0.00 C ATOM 662 CG LEU A 39 25.257 19.724 18.242 1.00 0.00 C ATOM 663 CD1 LEU A 39 25.382 20.261 16.815 1.00 0.00 C ATOM 664 CD2 LEU A 39 24.559 20.766 19.118 1.00 0.00 C ATOM 0 H LEU A 39 23.369 16.220 18.667 1.00 0.00 H new ATOM 0 HA LEU A 39 26.064 17.275 19.018 1.00 0.00 H new ATOM 0 HB2 LEU A 39 24.438 17.998 17.233 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.393 18.657 18.476 1.00 0.00 H new ATOM 0 HG LEU A 39 26.250 19.517 18.641 1.00 0.00 H new ATOM 0 HD11 LEU A 39 25.970 21.179 16.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 25.876 19.518 16.189 1.00 0.00 H new ATOM 0 HD13 LEU A 39 24.389 20.469 16.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 25.145 21.685 19.128 1.00 0.00 H new ATOM 0 HD22 LEU A 39 23.567 20.973 18.717 1.00 0.00 H new ATOM 0 HD23 LEU A 39 24.467 20.384 20.135 1.00 0.00 H new ATOM 676 N LEU A 40 23.739 17.804 21.269 1.00 0.00 N ATOM 677 CA LEU A 40 23.538 18.313 22.651 1.00 0.00 C ATOM 678 C LEU A 40 24.244 17.376 23.626 1.00 0.00 C ATOM 679 O LEU A 40 24.690 17.776 24.681 1.00 0.00 O ATOM 680 CB LEU A 40 22.042 18.354 22.971 1.00 0.00 C ATOM 681 CG LEU A 40 21.642 19.776 23.363 1.00 0.00 C ATOM 682 CD1 LEU A 40 22.539 20.267 24.503 1.00 0.00 C ATOM 683 CD2 LEU A 40 21.803 20.698 22.154 1.00 0.00 C ATOM 0 H LEU A 40 22.944 17.304 20.871 1.00 0.00 H new ATOM 0 HA LEU A 40 23.949 19.319 22.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.465 18.028 22.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.814 17.664 23.783 1.00 0.00 H new ATOM 0 HG LEU A 40 20.603 19.783 23.693 1.00 0.00 H new ATOM 0 HD11 LEU A 40 22.252 21.281 24.781 1.00 0.00 H new ATOM 0 HD12 LEU A 40 22.426 19.609 25.364 1.00 0.00 H new ATOM 0 HD13 LEU A 40 23.579 20.261 24.176 1.00 0.00 H new ATOM 0 HD21 LEU A 40 21.518 21.713 22.430 1.00 0.00 H new ATOM 0 HD22 LEU A 40 22.842 20.689 21.825 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.163 20.350 21.343 1.00 0.00 H new ATOM 695 N LYS A 41 24.359 16.127 23.268 1.00 0.00 N ATOM 696 CA LYS A 41 25.044 15.153 24.157 1.00 0.00 C ATOM 697 C LYS A 41 26.545 15.443 24.140 1.00 0.00 C ATOM 698 O LYS A 41 27.189 15.492 25.168 1.00 0.00 O ATOM 699 CB LYS A 41 24.788 13.733 23.653 1.00 0.00 C ATOM 700 CG LYS A 41 25.714 12.761 24.384 1.00 0.00 C ATOM 701 CD LYS A 41 25.478 11.341 23.866 1.00 0.00 C ATOM 702 CE LYS A 41 26.712 10.485 24.152 1.00 0.00 C ATOM 703 NZ LYS A 41 27.867 10.994 23.358 1.00 0.00 N ATOM 0 H LYS A 41 24.006 15.739 22.393 1.00 0.00 H new ATOM 0 HA LYS A 41 24.662 15.244 25.174 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.747 13.457 23.822 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.962 13.680 22.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 26.754 13.047 24.229 1.00 0.00 H new ATOM 0 HG3 LYS A 41 25.528 12.803 25.457 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.601 10.907 24.347 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.276 11.361 22.795 1.00 0.00 H new ATOM 0 HE2 LYS A 41 26.948 10.513 25.216 1.00 0.00 H new ATOM 0 HE3 LYS A 41 26.512 9.444 23.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 28.490 10.201 23.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 27.518 11.451 22.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 28.399 11.685 23.924 1.00 0.00 H new ATOM 717 N THR A 42 27.105 15.653 22.978 1.00 0.00 N ATOM 718 CA THR A 42 28.561 15.957 22.902 1.00 0.00 C ATOM 719 C THR A 42 28.790 17.379 23.413 1.00 0.00 C ATOM 720 O THR A 42 29.804 17.683 24.005 1.00 0.00 O ATOM 721 CB THR A 42 29.046 15.852 21.452 1.00 0.00 C ATOM 722 OG1 THR A 42 28.058 15.204 20.668 1.00 0.00 O ATOM 723 CG2 THR A 42 30.344 15.045 21.399 1.00 0.00 C ATOM 0 H THR A 42 26.618 15.627 22.082 1.00 0.00 H new ATOM 0 HA THR A 42 29.116 15.243 23.511 1.00 0.00 H new ATOM 0 HB THR A 42 29.226 16.853 21.060 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.337 15.835 20.463 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.686 14.973 20.366 1.00 0.00 H new ATOM 0 HG22 THR A 42 31.106 15.542 21.999 1.00 0.00 H new ATOM 0 HG23 THR A 42 30.167 14.044 21.793 1.00 0.00 H new ATOM 731 N LEU A 43 27.846 18.249 23.194 1.00 0.00 N ATOM 732 CA LEU A 43 27.998 19.649 23.676 1.00 0.00 C ATOM 733 C LEU A 43 28.077 19.643 25.203 1.00 0.00 C ATOM 734 O LEU A 43 28.898 20.312 25.797 1.00 0.00 O ATOM 735 CB LEU A 43 26.791 20.472 23.225 1.00 0.00 C ATOM 736 CG LEU A 43 26.976 21.927 23.655 1.00 0.00 C ATOM 737 CD1 LEU A 43 27.889 22.638 22.655 1.00 0.00 C ATOM 738 CD2 LEU A 43 25.615 22.624 23.688 1.00 0.00 C ATOM 0 H LEU A 43 26.975 18.051 22.702 1.00 0.00 H new ATOM 0 HA LEU A 43 28.907 20.089 23.265 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.681 20.413 22.142 1.00 0.00 H new ATOM 0 HB3 LEU A 43 25.878 20.066 23.660 1.00 0.00 H new ATOM 0 HG LEU A 43 27.426 21.961 24.647 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.023 23.676 22.959 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.858 22.140 22.629 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.438 22.606 21.663 1.00 0.00 H new ATOM 0 HD21 LEU A 43 25.745 23.662 23.995 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.166 22.592 22.695 1.00 0.00 H new ATOM 0 HD23 LEU A 43 24.963 22.115 24.398 1.00 0.00 H new ATOM 750 N ALA A 44 27.232 18.881 25.841 1.00 0.00 N ATOM 751 CA ALA A 44 27.257 18.818 27.329 1.00 0.00 C ATOM 752 C ALA A 44 28.098 17.615 27.759 1.00 0.00 C ATOM 753 O ALA A 44 28.036 17.169 28.888 1.00 0.00 O ATOM 754 CB ALA A 44 25.832 18.661 27.860 1.00 0.00 C ATOM 0 H ALA A 44 26.524 18.298 25.395 1.00 0.00 H new ATOM 0 HA ALA A 44 27.689 19.735 27.730 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.852 18.615 28.949 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.230 19.513 27.544 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.396 17.743 27.466 1.00 0.00 H new ATOM 760 N SER A 45 28.882 17.088 26.860 1.00 0.00 N ATOM 761 CA SER A 45 29.733 15.913 27.196 1.00 0.00 C ATOM 762 C SER A 45 30.930 16.330 28.064 1.00 0.00 C ATOM 763 O SER A 45 31.253 15.645 29.013 1.00 0.00 O ATOM 764 CB SER A 45 30.244 15.272 25.906 1.00 0.00 C ATOM 765 OG SER A 45 31.526 14.706 26.140 1.00 0.00 O ATOM 0 H SER A 45 28.970 17.423 25.901 1.00 0.00 H new ATOM 0 HA SER A 45 29.130 15.200 27.758 1.00 0.00 H new ATOM 0 HB2 SER A 45 29.550 14.502 25.569 1.00 0.00 H new ATOM 0 HB3 SER A 45 30.302 16.018 25.114 1.00 0.00 H new ATOM 0 HG SER A 45 31.856 14.292 25.315 1.00 0.00 H new ATOM 771 N PRO A 46 31.574 17.420 27.709 1.00 0.00 N ATOM 772 CA PRO A 46 32.754 17.912 28.448 1.00 0.00 C ATOM 773 C PRO A 46 32.348 18.655 29.729 1.00 0.00 C ATOM 774 O PRO A 46 32.749 19.776 29.957 1.00 0.00 O ATOM 775 CB PRO A 46 33.424 18.868 27.458 1.00 0.00 C ATOM 776 CG PRO A 46 32.325 19.308 26.462 1.00 0.00 C ATOM 777 CD PRO A 46 31.200 18.259 26.550 1.00 0.00 C ATOM 0 HA PRO A 46 33.407 17.103 28.775 1.00 0.00 H new ATOM 0 HB2 PRO A 46 33.846 19.729 27.975 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.245 18.375 26.937 1.00 0.00 H new ATOM 0 HG2 PRO A 46 31.950 20.300 26.714 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.722 19.365 25.448 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.228 18.729 26.697 1.00 0.00 H new ATOM 0 HD3 PRO A 46 31.134 17.669 25.636 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.504 -3.795 10.655 1.00 0.00 N ATOM 1508 CA GLU B 17 0.398 -4.055 11.812 1.00 0.00 C ATOM 1509 C GLU B 17 1.816 -3.622 11.441 1.00 0.00 C ATOM 1510 O GLU B 17 2.591 -3.217 12.281 1.00 0.00 O ATOM 1511 CB GLU B 17 0.397 -5.549 12.146 1.00 0.00 C ATOM 1512 CG GLU B 17 -1.037 -6.084 12.130 1.00 0.00 C ATOM 1513 CD GLU B 17 -1.048 -7.481 11.508 1.00 0.00 C ATOM 1514 OE1 GLU B 17 -0.382 -7.665 10.503 1.00 0.00 O ATOM 1515 OE2 GLU B 17 -1.723 -8.344 12.047 1.00 0.00 O ATOM 0 HA GLU B 17 0.050 -3.494 12.679 1.00 0.00 H new ATOM 0 HB2 GLU B 17 1.006 -6.093 11.423 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.845 -5.712 13.126 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.435 -6.122 13.144 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.681 -5.414 11.560 1.00 0.00 H new ATOM 1522 N ILE B 18 2.164 -3.708 10.186 1.00 0.00 N ATOM 1523 CA ILE B 18 3.532 -3.302 9.762 1.00 0.00 C ATOM 1524 C ILE B 18 3.654 -1.778 9.815 1.00 0.00 C ATOM 1525 O ILE B 18 4.703 -1.241 10.110 1.00 0.00 O ATOM 1526 CB ILE B 18 3.791 -3.783 8.332 1.00 0.00 C ATOM 1527 CG1 ILE B 18 2.971 -2.939 7.353 1.00 0.00 C ATOM 1528 CG2 ILE B 18 3.379 -5.250 8.205 1.00 0.00 C ATOM 1529 CD1 ILE B 18 3.228 -3.419 5.924 1.00 0.00 C ATOM 0 H ILE B 18 1.559 -4.042 9.436 1.00 0.00 H new ATOM 0 HA ILE B 18 4.264 -3.749 10.434 1.00 0.00 H new ATOM 0 HB ILE B 18 4.851 -3.681 8.102 1.00 0.00 H new ATOM 0 HG12 ILE B 18 1.910 -3.018 7.589 1.00 0.00 H new ATOM 0 HG13 ILE B 18 3.241 -1.887 7.449 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.563 -5.593 7.187 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.961 -5.853 8.902 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.319 -5.351 8.436 1.00 0.00 H new ATOM 0 HD11 ILE B 18 2.644 -2.818 5.228 1.00 0.00 H new ATOM 0 HD12 ILE B 18 4.288 -3.317 5.691 1.00 0.00 H new ATOM 0 HD13 ILE B 18 2.936 -4.465 5.833 1.00 0.00 H new ATOM 1541 N LEU B 19 2.592 -1.074 9.528 1.00 0.00 N ATOM 1542 CA LEU B 19 2.661 0.414 9.563 1.00 0.00 C ATOM 1543 C LEU B 19 2.408 0.905 10.988 1.00 0.00 C ATOM 1544 O LEU B 19 2.904 1.936 11.393 1.00 0.00 O ATOM 1545 CB LEU B 19 1.609 1.002 8.618 1.00 0.00 C ATOM 1546 CG LEU B 19 0.218 0.839 9.229 1.00 0.00 C ATOM 1547 CD1 LEU B 19 -0.135 2.084 10.047 1.00 0.00 C ATOM 1548 CD2 LEU B 19 -0.807 0.659 8.108 1.00 0.00 C ATOM 0 H LEU B 19 1.684 -1.463 9.272 1.00 0.00 H new ATOM 0 HA LEU B 19 3.651 0.737 9.241 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.816 2.057 8.439 1.00 0.00 H new ATOM 0 HB3 LEU B 19 1.653 0.500 7.652 1.00 0.00 H new ATOM 0 HG LEU B 19 0.207 -0.035 9.881 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -1.128 1.965 10.481 1.00 0.00 H new ATOM 0 HD12 LEU B 19 0.597 2.215 10.844 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.126 2.960 9.399 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.801 0.542 8.539 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -0.794 1.534 7.459 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -0.558 -0.228 7.526 1.00 0.00 H new ATOM 1560 N LYS B 20 1.651 0.172 11.756 1.00 0.00 N ATOM 1561 CA LYS B 20 1.382 0.597 13.157 1.00 0.00 C ATOM 1562 C LYS B 20 2.616 0.299 14.002 1.00 0.00 C ATOM 1563 O LYS B 20 2.945 1.023 14.917 1.00 0.00 O ATOM 1564 CB LYS B 20 0.180 -0.171 13.712 1.00 0.00 C ATOM 1565 CG LYS B 20 -1.099 0.628 13.449 1.00 0.00 C ATOM 1566 CD LYS B 20 -2.291 -0.090 14.082 1.00 0.00 C ATOM 1567 CE LYS B 20 -2.905 0.796 15.168 1.00 0.00 C ATOM 1568 NZ LYS B 20 -3.754 1.846 14.534 1.00 0.00 N ATOM 0 H LYS B 20 1.208 -0.702 11.474 1.00 0.00 H new ATOM 0 HA LYS B 20 1.160 1.664 13.184 1.00 0.00 H new ATOM 0 HB2 LYS B 20 0.112 -1.152 13.242 1.00 0.00 H new ATOM 0 HB3 LYS B 20 0.304 -0.338 14.782 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -1.004 1.632 13.863 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.256 0.739 12.376 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -3.037 -0.319 13.321 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -1.971 -1.040 14.511 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -3.504 0.192 15.849 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -2.117 1.260 15.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -4.171 2.448 15.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -3.170 2.429 13.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -4.514 1.394 13.986 1.00 0.00 H new ATOM 1582 N GLU B 21 3.311 -0.756 13.688 1.00 0.00 N ATOM 1583 CA GLU B 21 4.537 -1.098 14.454 1.00 0.00 C ATOM 1584 C GLU B 21 5.672 -0.190 13.986 1.00 0.00 C ATOM 1585 O GLU B 21 6.580 0.118 14.726 1.00 0.00 O ATOM 1586 CB GLU B 21 4.911 -2.558 14.205 1.00 0.00 C ATOM 1587 CG GLU B 21 5.280 -3.221 15.532 1.00 0.00 C ATOM 1588 CD GLU B 21 6.734 -2.898 15.876 1.00 0.00 C ATOM 1589 OE1 GLU B 21 6.989 -1.778 16.288 1.00 0.00 O ATOM 1590 OE2 GLU B 21 7.568 -3.774 15.719 1.00 0.00 O ATOM 0 H GLU B 21 3.081 -1.399 12.930 1.00 0.00 H new ATOM 0 HA GLU B 21 4.361 -0.956 15.520 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.076 -3.085 13.742 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.749 -2.617 13.511 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.620 -2.866 16.324 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.143 -4.300 15.462 1.00 0.00 H new ATOM 1597 N GLN B 22 5.616 0.250 12.759 1.00 0.00 N ATOM 1598 CA GLN B 22 6.680 1.151 12.244 1.00 0.00 C ATOM 1599 C GLN B 22 6.461 2.549 12.827 1.00 0.00 C ATOM 1600 O GLN B 22 7.394 3.237 13.187 1.00 0.00 O ATOM 1601 CB GLN B 22 6.605 1.211 10.717 1.00 0.00 C ATOM 1602 CG GLN B 22 7.875 1.862 10.168 1.00 0.00 C ATOM 1603 CD GLN B 22 8.767 0.791 9.538 1.00 0.00 C ATOM 1604 OE1 GLN B 22 8.475 0.290 8.470 1.00 0.00 O ATOM 1605 NE2 GLN B 22 9.852 0.415 10.159 1.00 0.00 N ATOM 0 H GLN B 22 4.878 0.023 12.092 1.00 0.00 H new ATOM 0 HA GLN B 22 7.661 0.777 12.536 1.00 0.00 H new ATOM 0 HB2 GLN B 22 6.493 0.207 10.308 1.00 0.00 H new ATOM 0 HB3 GLN B 22 5.729 1.781 10.408 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.617 2.618 9.426 1.00 0.00 H new ATOM 0 HG3 GLN B 22 8.411 2.371 10.969 1.00 0.00 H new ATOM 0 HE21 GLN B 22 10.098 0.835 11.055 1.00 0.00 H new ATOM 0 HE22 GLN B 22 10.454 -0.299 9.748 1.00 0.00 H new ATOM 1614 N ILE B 23 5.228 2.967 12.933 1.00 0.00 N ATOM 1615 CA ILE B 23 4.945 4.313 13.502 1.00 0.00 C ATOM 1616 C ILE B 23 5.066 4.243 15.024 1.00 0.00 C ATOM 1617 O ILE B 23 5.407 5.210 15.672 1.00 0.00 O ATOM 1618 CB ILE B 23 3.532 4.759 13.112 1.00 0.00 C ATOM 1619 CG1 ILE B 23 2.514 3.729 13.604 1.00 0.00 C ATOM 1620 CG2 ILE B 23 3.434 4.880 11.591 1.00 0.00 C ATOM 1621 CD1 ILE B 23 1.497 4.411 14.522 1.00 0.00 C ATOM 0 H ILE B 23 4.406 2.434 12.650 1.00 0.00 H new ATOM 0 HA ILE B 23 5.660 5.035 13.109 1.00 0.00 H new ATOM 0 HB ILE B 23 3.322 5.726 13.569 1.00 0.00 H new ATOM 0 HG12 ILE B 23 2.004 3.272 12.756 1.00 0.00 H new ATOM 0 HG13 ILE B 23 3.022 2.927 14.140 1.00 0.00 H new ATOM 0 HG21 ILE B 23 2.428 5.197 11.315 1.00 0.00 H new ATOM 0 HG22 ILE B 23 4.156 5.616 11.237 1.00 0.00 H new ATOM 0 HG23 ILE B 23 3.647 3.913 11.135 1.00 0.00 H new ATOM 0 HD11 ILE B 23 0.772 3.676 14.872 1.00 0.00 H new ATOM 0 HD12 ILE B 23 2.014 4.847 15.377 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.980 5.197 13.972 1.00 0.00 H new ATOM 1633 N ARG B 24 4.805 3.100 15.601 1.00 0.00 N ATOM 1634 CA ARG B 24 4.926 2.972 17.081 1.00 0.00 C ATOM 1635 C ARG B 24 6.405 2.846 17.437 1.00 0.00 C ATOM 1636 O ARG B 24 6.852 3.315 18.463 1.00 0.00 O ATOM 1637 CB ARG B 24 4.179 1.724 17.564 1.00 0.00 C ATOM 1638 CG ARG B 24 2.871 2.138 18.240 1.00 0.00 C ATOM 1639 CD ARG B 24 2.484 1.089 19.285 1.00 0.00 C ATOM 1640 NE ARG B 24 1.481 1.667 20.223 1.00 0.00 N ATOM 1641 CZ ARG B 24 0.246 1.249 20.194 1.00 0.00 C ATOM 1642 NH1 ARG B 24 -0.063 0.091 20.708 1.00 0.00 N ATOM 1643 NH2 ARG B 24 -0.680 1.988 19.648 1.00 0.00 N ATOM 0 H ARG B 24 4.514 2.253 15.113 1.00 0.00 H new ATOM 0 HA ARG B 24 4.493 3.849 17.562 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.972 1.063 16.722 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.800 1.164 18.263 1.00 0.00 H new ATOM 0 HG2 ARG B 24 2.986 3.113 18.713 1.00 0.00 H new ATOM 0 HG3 ARG B 24 2.080 2.236 17.497 1.00 0.00 H new ATOM 0 HD2 ARG B 24 2.073 0.207 18.795 1.00 0.00 H new ATOM 0 HD3 ARG B 24 3.368 0.765 19.835 1.00 0.00 H new ATOM 0 HE ARG B 24 1.760 2.389 20.887 1.00 0.00 H new ATOM 0 HH11 ARG B 24 0.661 -0.488 21.133 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -1.029 -0.236 20.685 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -0.438 2.893 19.244 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -1.646 1.661 19.625 1.00 0.00 H new ATOM 1657 N GLU B 25 7.170 2.224 16.584 1.00 0.00 N ATOM 1658 CA GLU B 25 8.625 2.074 16.854 1.00 0.00 C ATOM 1659 C GLU B 25 9.320 3.393 16.529 1.00 0.00 C ATOM 1660 O GLU B 25 10.306 3.752 17.136 1.00 0.00 O ATOM 1661 CB GLU B 25 9.202 0.954 15.984 1.00 0.00 C ATOM 1662 CG GLU B 25 10.466 0.400 16.644 1.00 0.00 C ATOM 1663 CD GLU B 25 11.438 -0.083 15.567 1.00 0.00 C ATOM 1664 OE1 GLU B 25 11.173 -1.119 14.980 1.00 0.00 O ATOM 1665 OE2 GLU B 25 12.431 0.591 15.347 1.00 0.00 O ATOM 0 H GLU B 25 6.848 1.812 15.708 1.00 0.00 H new ATOM 0 HA GLU B 25 8.784 1.820 17.902 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.466 0.160 15.858 1.00 0.00 H new ATOM 0 HB3 GLU B 25 9.434 1.334 14.989 1.00 0.00 H new ATOM 0 HG2 GLU B 25 10.937 1.170 17.254 1.00 0.00 H new ATOM 0 HG3 GLU B 25 10.209 -0.423 17.312 1.00 0.00 H new ATOM 1672 N LEU B 26 8.800 4.129 15.583 1.00 0.00 N ATOM 1673 CA LEU B 26 9.418 5.436 15.235 1.00 0.00 C ATOM 1674 C LEU B 26 8.967 6.468 16.268 1.00 0.00 C ATOM 1675 O LEU B 26 9.679 7.397 16.589 1.00 0.00 O ATOM 1676 CB LEU B 26 8.964 5.870 13.840 1.00 0.00 C ATOM 1677 CG LEU B 26 10.011 5.445 12.809 1.00 0.00 C ATOM 1678 CD1 LEU B 26 9.317 5.060 11.503 1.00 0.00 C ATOM 1679 CD2 LEU B 26 10.971 6.609 12.551 1.00 0.00 C ATOM 0 H LEU B 26 7.975 3.880 15.038 1.00 0.00 H new ATOM 0 HA LEU B 26 10.505 5.350 15.237 1.00 0.00 H new ATOM 0 HB2 LEU B 26 8.000 5.419 13.603 1.00 0.00 H new ATOM 0 HB3 LEU B 26 8.826 6.951 13.810 1.00 0.00 H new ATOM 0 HG LEU B 26 10.568 4.589 13.189 1.00 0.00 H new ATOM 0 HD11 LEU B 26 10.064 4.757 10.769 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.632 4.232 11.685 1.00 0.00 H new ATOM 0 HD13 LEU B 26 8.759 5.915 11.121 1.00 0.00 H new ATOM 0 HD21 LEU B 26 11.718 6.308 11.816 1.00 0.00 H new ATOM 0 HD22 LEU B 26 10.412 7.464 12.171 1.00 0.00 H new ATOM 0 HD23 LEU B 26 11.467 6.884 13.482 1.00 0.00 H new ATOM 1691 N VAL B 27 7.793 6.289 16.810 1.00 0.00 N ATOM 1692 CA VAL B 27 7.294 7.236 17.844 1.00 0.00 C ATOM 1693 C VAL B 27 7.903 6.834 19.182 1.00 0.00 C ATOM 1694 O VAL B 27 8.074 7.644 20.071 1.00 0.00 O ATOM 1695 CB VAL B 27 5.768 7.154 17.930 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.283 7.933 19.153 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.153 7.757 16.666 1.00 0.00 C ATOM 0 H VAL B 27 7.157 5.525 16.580 1.00 0.00 H new ATOM 0 HA VAL B 27 7.575 8.258 17.588 1.00 0.00 H new ATOM 0 HB VAL B 27 5.465 6.111 18.020 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.196 7.875 19.214 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.721 7.504 20.055 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.586 8.976 19.063 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.066 7.699 16.727 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.456 8.800 16.576 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.498 7.202 15.793 1.00 0.00 H new ATOM 1707 N GLU B 28 8.249 5.584 19.319 1.00 0.00 N ATOM 1708 CA GLU B 28 8.872 5.112 20.582 1.00 0.00 C ATOM 1709 C GLU B 28 10.335 5.553 20.579 1.00 0.00 C ATOM 1710 O GLU B 28 10.869 5.981 21.582 1.00 0.00 O ATOM 1711 CB GLU B 28 8.780 3.582 20.658 1.00 0.00 C ATOM 1712 CG GLU B 28 9.803 3.049 21.665 1.00 0.00 C ATOM 1713 CD GLU B 28 9.358 1.674 22.169 1.00 0.00 C ATOM 1714 OE1 GLU B 28 9.309 0.758 21.366 1.00 0.00 O ATOM 1715 OE2 GLU B 28 9.076 1.563 23.350 1.00 0.00 O ATOM 0 H GLU B 28 8.125 4.867 18.604 1.00 0.00 H new ATOM 0 HA GLU B 28 8.357 5.532 21.446 1.00 0.00 H new ATOM 0 HB2 GLU B 28 7.775 3.284 20.955 1.00 0.00 H new ATOM 0 HB3 GLU B 28 8.964 3.148 19.675 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.785 2.976 21.197 1.00 0.00 H new ATOM 0 HG3 GLU B 28 9.899 3.741 22.502 1.00 0.00 H new ATOM 1722 N LYS B 29 10.977 5.471 19.445 1.00 0.00 N ATOM 1723 CA LYS B 29 12.396 5.906 19.360 1.00 0.00 C ATOM 1724 C LYS B 29 12.430 7.431 19.390 1.00 0.00 C ATOM 1725 O LYS B 29 13.322 8.035 19.949 1.00 0.00 O ATOM 1726 CB LYS B 29 13.014 5.402 18.053 1.00 0.00 C ATOM 1727 CG LYS B 29 14.501 5.116 18.269 1.00 0.00 C ATOM 1728 CD LYS B 29 14.817 3.692 17.809 1.00 0.00 C ATOM 1729 CE LYS B 29 16.037 3.168 18.569 1.00 0.00 C ATOM 1730 NZ LYS B 29 15.589 2.433 19.785 1.00 0.00 N ATOM 0 H LYS B 29 10.578 5.121 18.574 1.00 0.00 H new ATOM 0 HA LYS B 29 12.965 5.499 20.196 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.503 4.498 17.722 1.00 0.00 H new ATOM 0 HB3 LYS B 29 12.886 6.146 17.267 1.00 0.00 H new ATOM 0 HG2 LYS B 29 15.105 5.832 17.712 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.756 5.235 19.322 1.00 0.00 H new ATOM 0 HD2 LYS B 29 13.959 3.043 17.985 1.00 0.00 H new ATOM 0 HD3 LYS B 29 15.011 3.680 16.736 1.00 0.00 H new ATOM 0 HE2 LYS B 29 16.622 2.509 17.928 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.686 3.997 18.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 16.419 2.077 20.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.048 3.075 20.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 14.986 1.633 19.505 1.00 0.00 H new ATOM 1744 N ASN B 30 11.446 8.057 18.806 1.00 0.00 N ATOM 1745 CA ASN B 30 11.395 9.543 18.811 1.00 0.00 C ATOM 1746 C ASN B 30 11.071 10.001 20.227 1.00 0.00 C ATOM 1747 O ASN B 30 11.536 11.025 20.688 1.00 0.00 O ATOM 1748 CB ASN B 30 10.304 10.022 17.852 1.00 0.00 C ATOM 1749 CG ASN B 30 10.048 11.513 18.072 1.00 0.00 C ATOM 1750 OD1 ASN B 30 9.664 11.925 19.149 1.00 0.00 O ATOM 1751 ND2 ASN B 30 10.245 12.348 17.088 1.00 0.00 N ATOM 0 H ASN B 30 10.672 7.600 18.324 1.00 0.00 H new ATOM 0 HA ASN B 30 12.351 9.956 18.490 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.608 9.843 16.821 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.387 9.457 18.017 1.00 0.00 H new ATOM 0 HD21 ASN B 30 10.077 13.345 17.224 1.00 0.00 H new ATOM 0 HD22 ASN B 30 10.567 12.004 16.184 1.00 0.00 H new ATOM 1758 N SER B 31 10.287 9.231 20.928 1.00 0.00 N ATOM 1759 CA SER B 31 9.936 9.594 22.324 1.00 0.00 C ATOM 1760 C SER B 31 11.168 9.386 23.197 1.00 0.00 C ATOM 1761 O SER B 31 11.426 10.138 24.110 1.00 0.00 O ATOM 1762 CB SER B 31 8.795 8.703 22.816 1.00 0.00 C ATOM 1763 OG SER B 31 7.552 9.302 22.472 1.00 0.00 O ATOM 0 H SER B 31 9.873 8.362 20.590 1.00 0.00 H new ATOM 0 HA SER B 31 9.614 10.634 22.373 1.00 0.00 H new ATOM 0 HB2 SER B 31 8.872 7.713 22.367 1.00 0.00 H new ATOM 0 HB3 SER B 31 8.862 8.570 23.896 1.00 0.00 H new ATOM 0 HG SER B 31 7.266 8.979 21.592 1.00 0.00 H new ATOM 1769 N GLN B 32 11.946 8.378 22.910 1.00 0.00 N ATOM 1770 CA GLN B 32 13.174 8.142 23.713 1.00 0.00 C ATOM 1771 C GLN B 32 14.152 9.277 23.424 1.00 0.00 C ATOM 1772 O GLN B 32 14.874 9.730 24.290 1.00 0.00 O ATOM 1773 CB GLN B 32 13.803 6.805 23.314 1.00 0.00 C ATOM 1774 CG GLN B 32 14.059 5.967 24.568 1.00 0.00 C ATOM 1775 CD GLN B 32 14.002 4.481 24.207 1.00 0.00 C ATOM 1776 OE1 GLN B 32 14.722 4.025 23.342 1.00 0.00 O ATOM 1777 NE2 GLN B 32 13.167 3.701 24.838 1.00 0.00 N ATOM 0 H GLN B 32 11.783 7.711 22.156 1.00 0.00 H new ATOM 0 HA GLN B 32 12.932 8.111 24.775 1.00 0.00 H new ATOM 0 HB2 GLN B 32 13.141 6.268 22.634 1.00 0.00 H new ATOM 0 HB3 GLN B 32 14.738 6.976 22.781 1.00 0.00 H new ATOM 0 HG2 GLN B 32 15.033 6.213 24.990 1.00 0.00 H new ATOM 0 HG3 GLN B 32 13.314 6.196 25.330 1.00 0.00 H new ATOM 0 HE21 GLN B 32 12.562 4.083 25.565 1.00 0.00 H new ATOM 0 HE22 GLN B 32 13.120 2.709 24.604 1.00 0.00 H new ATOM 1786 N LEU B 33 14.162 9.754 22.209 1.00 0.00 N ATOM 1787 CA LEU B 33 15.071 10.874 21.852 1.00 0.00 C ATOM 1788 C LEU B 33 14.439 12.183 22.323 1.00 0.00 C ATOM 1789 O LEU B 33 15.101 13.188 22.463 1.00 0.00 O ATOM 1790 CB LEU B 33 15.263 10.916 20.335 1.00 0.00 C ATOM 1791 CG LEU B 33 16.474 10.064 19.948 1.00 0.00 C ATOM 1792 CD1 LEU B 33 16.379 8.699 20.631 1.00 0.00 C ATOM 1793 CD2 LEU B 33 16.496 9.871 18.431 1.00 0.00 C ATOM 0 H LEU B 33 13.576 9.413 21.447 1.00 0.00 H new ATOM 0 HA LEU B 33 16.041 10.733 22.330 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.369 10.544 19.835 1.00 0.00 H new ATOM 0 HB3 LEU B 33 15.409 11.945 20.005 1.00 0.00 H new ATOM 0 HG LEU B 33 17.387 10.567 20.266 1.00 0.00 H new ATOM 0 HD11 LEU B 33 17.242 8.093 20.355 1.00 0.00 H new ATOM 0 HD12 LEU B 33 16.362 8.834 21.713 1.00 0.00 H new ATOM 0 HD13 LEU B 33 15.466 8.196 20.313 1.00 0.00 H new ATOM 0 HD21 LEU B 33 17.358 9.264 18.154 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.582 9.368 18.115 1.00 0.00 H new ATOM 0 HD23 LEU B 33 16.564 10.843 17.942 1.00 0.00 H new ATOM 1805 N GLU B 34 13.156 12.172 22.566 1.00 0.00 N ATOM 1806 CA GLU B 34 12.471 13.410 23.030 1.00 0.00 C ATOM 1807 C GLU B 34 12.752 13.616 24.520 1.00 0.00 C ATOM 1808 O GLU B 34 13.032 14.710 24.961 1.00 0.00 O ATOM 1809 CB GLU B 34 10.963 13.269 22.811 1.00 0.00 C ATOM 1810 CG GLU B 34 10.312 14.653 22.827 1.00 0.00 C ATOM 1811 CD GLU B 34 9.549 14.846 24.139 1.00 0.00 C ATOM 1812 OE1 GLU B 34 10.116 14.558 25.180 1.00 0.00 O ATOM 1813 OE2 GLU B 34 8.409 15.277 24.079 1.00 0.00 O ATOM 0 H GLU B 34 12.552 11.356 22.463 1.00 0.00 H new ATOM 0 HA GLU B 34 12.842 14.266 22.467 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.768 12.775 21.859 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.529 12.642 23.590 1.00 0.00 H new ATOM 0 HG2 GLU B 34 11.074 15.425 22.720 1.00 0.00 H new ATOM 0 HG3 GLU B 34 9.633 14.756 21.981 1.00 0.00 H new ATOM 1820 N ARG B 35 12.685 12.571 25.298 1.00 0.00 N ATOM 1821 CA ARG B 35 12.952 12.713 26.756 1.00 0.00 C ATOM 1822 C ARG B 35 14.459 12.811 26.980 1.00 0.00 C ATOM 1823 O ARG B 35 14.918 13.437 27.913 1.00 0.00 O ATOM 1824 CB ARG B 35 12.400 11.499 27.505 1.00 0.00 C ATOM 1825 CG ARG B 35 12.322 11.818 29.000 1.00 0.00 C ATOM 1826 CD ARG B 35 11.000 11.295 29.567 1.00 0.00 C ATOM 1827 NE ARG B 35 11.099 11.206 31.051 1.00 0.00 N ATOM 1828 CZ ARG B 35 10.789 10.095 31.660 1.00 0.00 C ATOM 1829 NH1 ARG B 35 9.864 9.317 31.170 1.00 0.00 N ATOM 1830 NH2 ARG B 35 11.407 9.758 32.761 1.00 0.00 N ATOM 0 H ARG B 35 12.457 11.627 24.987 1.00 0.00 H new ATOM 0 HA ARG B 35 12.464 13.613 27.130 1.00 0.00 H new ATOM 0 HB2 ARG B 35 11.412 11.241 27.125 1.00 0.00 H new ATOM 0 HB3 ARG B 35 13.041 10.633 27.339 1.00 0.00 H new ATOM 0 HG2 ARG B 35 13.161 11.360 29.524 1.00 0.00 H new ATOM 0 HG3 ARG B 35 12.397 12.894 29.157 1.00 0.00 H new ATOM 0 HD2 ARG B 35 10.183 11.959 29.285 1.00 0.00 H new ATOM 0 HD3 ARG B 35 10.774 10.315 29.147 1.00 0.00 H new ATOM 0 HE ARG B 35 11.409 12.014 31.591 1.00 0.00 H new ATOM 0 HH11 ARG B 35 9.382 9.577 30.309 1.00 0.00 H new ATOM 0 HH12 ARG B 35 9.623 8.448 31.647 1.00 0.00 H new ATOM 0 HH21 ARG B 35 12.132 10.364 33.145 1.00 0.00 H new ATOM 0 HH22 ARG B 35 11.164 8.889 33.237 1.00 0.00 H new ATOM 1844 N GLU B 36 15.234 12.204 26.125 1.00 0.00 N ATOM 1845 CA GLU B 36 16.712 12.273 26.284 1.00 0.00 C ATOM 1846 C GLU B 36 17.210 13.598 25.705 1.00 0.00 C ATOM 1847 O GLU B 36 18.175 14.168 26.170 1.00 0.00 O ATOM 1848 CB GLU B 36 17.359 11.106 25.536 1.00 0.00 C ATOM 1849 CG GLU B 36 17.474 9.902 26.472 1.00 0.00 C ATOM 1850 CD GLU B 36 17.128 8.622 25.709 1.00 0.00 C ATOM 1851 OE1 GLU B 36 17.159 8.654 24.490 1.00 0.00 O ATOM 1852 OE2 GLU B 36 16.840 7.629 26.357 1.00 0.00 O ATOM 0 H GLU B 36 14.907 11.664 25.324 1.00 0.00 H new ATOM 0 HA GLU B 36 16.977 12.211 27.339 1.00 0.00 H new ATOM 0 HB2 GLU B 36 16.763 10.845 24.662 1.00 0.00 H new ATOM 0 HB3 GLU B 36 18.346 11.394 25.174 1.00 0.00 H new ATOM 0 HG2 GLU B 36 18.485 9.836 26.873 1.00 0.00 H new ATOM 0 HG3 GLU B 36 16.802 10.024 27.321 1.00 0.00 H new ATOM 1859 N ASN B 37 16.547 14.092 24.697 1.00 0.00 N ATOM 1860 CA ASN B 37 16.965 15.383 24.080 1.00 0.00 C ATOM 1861 C ASN B 37 16.514 16.538 24.975 1.00 0.00 C ATOM 1862 O ASN B 37 17.200 17.528 25.113 1.00 0.00 O ATOM 1863 CB ASN B 37 16.319 15.524 22.700 1.00 0.00 C ATOM 1864 CG ASN B 37 16.716 16.867 22.082 1.00 0.00 C ATOM 1865 OD1 ASN B 37 16.194 17.898 22.457 1.00 0.00 O ATOM 1866 ND2 ASN B 37 17.622 16.898 21.144 1.00 0.00 N ATOM 0 H ASN B 37 15.729 13.655 24.271 1.00 0.00 H new ATOM 0 HA ASN B 37 18.050 15.403 23.974 1.00 0.00 H new ATOM 0 HB2 ASN B 37 16.637 14.706 22.053 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.234 15.458 22.787 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.892 17.788 20.725 1.00 0.00 H new ATOM 0 HD22 ASN B 37 18.060 16.032 20.829 1.00 0.00 H new ATOM 1873 N THR B 38 15.369 16.416 25.589 1.00 0.00 N ATOM 1874 CA THR B 38 14.888 17.509 26.480 1.00 0.00 C ATOM 1875 C THR B 38 15.689 17.465 27.778 1.00 0.00 C ATOM 1876 O THR B 38 15.913 18.473 28.415 1.00 0.00 O ATOM 1877 CB THR B 38 13.398 17.323 26.782 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.721 16.935 25.596 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.815 18.639 27.297 1.00 0.00 C ATOM 0 H THR B 38 14.748 15.610 25.513 1.00 0.00 H new ATOM 0 HA THR B 38 15.024 18.473 25.990 1.00 0.00 H new ATOM 0 HB THR B 38 13.273 16.550 27.540 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.622 15.960 25.580 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.755 18.508 27.512 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.336 18.936 28.207 1.00 0.00 H new ATOM 0 HG23 THR B 38 12.938 19.413 26.539 1.00 0.00 H new ATOM 1887 N LEU B 39 16.136 16.302 28.167 1.00 0.00 N ATOM 1888 CA LEU B 39 16.939 16.192 29.416 1.00 0.00 C ATOM 1889 C LEU B 39 18.342 16.740 29.149 1.00 0.00 C ATOM 1890 O LEU B 39 18.906 17.449 29.953 1.00 0.00 O ATOM 1891 CB LEU B 39 17.038 14.725 29.839 1.00 0.00 C ATOM 1892 CG LEU B 39 16.504 14.565 31.264 1.00 0.00 C ATOM 1893 CD1 LEU B 39 15.838 13.195 31.407 1.00 0.00 C ATOM 1894 CD2 LEU B 39 17.662 14.672 32.258 1.00 0.00 C ATOM 0 H LEU B 39 15.979 15.423 27.673 1.00 0.00 H new ATOM 0 HA LEU B 39 16.461 16.761 30.213 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.467 14.099 29.153 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.074 14.390 29.788 1.00 0.00 H new ATOM 0 HG LEU B 39 15.775 15.349 31.469 1.00 0.00 H new ATOM 0 HD11 LEU B 39 15.457 13.080 32.422 1.00 0.00 H new ATOM 0 HD12 LEU B 39 15.013 13.116 30.699 1.00 0.00 H new ATOM 0 HD13 LEU B 39 16.568 12.412 31.203 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.282 14.558 33.273 1.00 0.00 H new ATOM 0 HD22 LEU B 39 18.391 13.888 32.053 1.00 0.00 H new ATOM 0 HD23 LEU B 39 18.140 15.647 32.157 1.00 0.00 H new ATOM 1906 N LEU B 40 18.907 16.419 28.018 1.00 0.00 N ATOM 1907 CA LEU B 40 20.270 16.927 27.697 1.00 0.00 C ATOM 1908 C LEU B 40 20.172 18.396 27.288 1.00 0.00 C ATOM 1909 O LEU B 40 21.114 19.151 27.410 1.00 0.00 O ATOM 1910 CB LEU B 40 20.860 16.111 26.544 1.00 0.00 C ATOM 1911 CG LEU B 40 21.514 14.843 27.095 1.00 0.00 C ATOM 1912 CD1 LEU B 40 21.750 13.851 25.956 1.00 0.00 C ATOM 1913 CD2 LEU B 40 22.853 15.203 27.742 1.00 0.00 C ATOM 0 H LEU B 40 18.484 15.827 27.303 1.00 0.00 H new ATOM 0 HA LEU B 40 20.914 16.832 28.571 1.00 0.00 H new ATOM 0 HB2 LEU B 40 20.077 15.849 25.833 1.00 0.00 H new ATOM 0 HB3 LEU B 40 21.596 16.706 26.003 1.00 0.00 H new ATOM 0 HG LEU B 40 20.858 14.390 27.839 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.216 12.948 26.351 1.00 0.00 H new ATOM 0 HD12 LEU B 40 20.797 13.595 25.493 1.00 0.00 H new ATOM 0 HD13 LEU B 40 22.406 14.302 25.211 1.00 0.00 H new ATOM 0 HD21 LEU B 40 23.321 14.301 28.136 1.00 0.00 H new ATOM 0 HD22 LEU B 40 23.507 15.656 26.997 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.686 15.909 28.555 1.00 0.00 H new ATOM 1925 N LYS B 41 19.033 18.807 26.809 1.00 0.00 N ATOM 1926 CA LYS B 41 18.868 20.226 26.396 1.00 0.00 C ATOM 1927 C LYS B 41 18.580 21.076 27.632 1.00 0.00 C ATOM 1928 O LYS B 41 18.939 22.235 27.699 1.00 0.00 O ATOM 1929 CB LYS B 41 17.702 20.338 25.412 1.00 0.00 C ATOM 1930 CG LYS B 41 17.500 21.804 25.031 1.00 0.00 C ATOM 1931 CD LYS B 41 17.482 21.938 23.506 1.00 0.00 C ATOM 1932 CE LYS B 41 17.398 23.417 23.128 1.00 0.00 C ATOM 1933 NZ LYS B 41 17.508 23.556 21.648 1.00 0.00 N ATOM 0 H LYS B 41 18.208 18.220 26.686 1.00 0.00 H new ATOM 0 HA LYS B 41 19.780 20.578 25.914 1.00 0.00 H new ATOM 0 HB2 LYS B 41 17.905 19.744 24.521 1.00 0.00 H new ATOM 0 HB3 LYS B 41 16.793 19.939 25.861 1.00 0.00 H new ATOM 0 HG2 LYS B 41 16.564 22.174 25.450 1.00 0.00 H new ATOM 0 HG3 LYS B 41 18.300 22.413 25.451 1.00 0.00 H new ATOM 0 HD2 LYS B 41 18.381 21.493 23.080 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.631 21.396 23.092 1.00 0.00 H new ATOM 0 HE2 LYS B 41 16.455 23.840 23.475 1.00 0.00 H new ATOM 0 HE3 LYS B 41 18.197 23.975 23.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 17.451 24.562 21.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 18.419 23.167 21.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.731 23.036 21.192 1.00 0.00 H new ATOM 1947 N THR B 42 17.944 20.506 28.618 1.00 0.00 N ATOM 1948 CA THR B 42 17.642 21.278 29.854 1.00 0.00 C ATOM 1949 C THR B 42 18.856 21.236 30.783 1.00 0.00 C ATOM 1950 O THR B 42 19.108 22.161 31.527 1.00 0.00 O ATOM 1951 CB THR B 42 16.424 20.671 30.561 1.00 0.00 C ATOM 1952 OG1 THR B 42 16.026 21.521 31.627 1.00 0.00 O ATOM 1953 CG2 THR B 42 16.780 19.292 31.117 1.00 0.00 C ATOM 0 H THR B 42 17.621 19.539 28.620 1.00 0.00 H new ATOM 0 HA THR B 42 17.420 22.313 29.593 1.00 0.00 H new ATOM 0 HB THR B 42 15.607 20.570 29.847 1.00 0.00 H new ATOM 0 HG1 THR B 42 15.247 21.136 32.079 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.911 18.866 31.618 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.085 18.638 30.300 1.00 0.00 H new ATOM 0 HG23 THR B 42 17.599 19.387 31.830 1.00 0.00 H new ATOM 1961 N LEU B 43 19.626 20.181 30.733 1.00 0.00 N ATOM 1962 CA LEU B 43 20.831 20.108 31.606 1.00 0.00 C ATOM 1963 C LEU B 43 21.942 20.932 30.964 1.00 0.00 C ATOM 1964 O LEU B 43 22.606 21.715 31.615 1.00 0.00 O ATOM 1965 CB LEU B 43 21.290 18.656 31.756 1.00 0.00 C ATOM 1966 CG LEU B 43 22.232 18.545 32.958 1.00 0.00 C ATOM 1967 CD1 LEU B 43 21.614 17.619 34.008 1.00 0.00 C ATOM 1968 CD2 LEU B 43 23.581 17.977 32.506 1.00 0.00 C ATOM 0 H LEU B 43 19.473 19.373 30.130 1.00 0.00 H new ATOM 0 HA LEU B 43 20.592 20.499 32.595 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.428 18.002 31.893 1.00 0.00 H new ATOM 0 HB3 LEU B 43 21.798 18.328 30.849 1.00 0.00 H new ATOM 0 HG LEU B 43 22.384 19.534 33.389 1.00 0.00 H new ATOM 0 HD11 LEU B 43 22.285 17.540 34.864 1.00 0.00 H new ATOM 0 HD12 LEU B 43 20.657 18.026 34.334 1.00 0.00 H new ATOM 0 HD13 LEU B 43 21.460 16.630 33.576 1.00 0.00 H new ATOM 0 HD21 LEU B 43 24.249 17.899 33.364 1.00 0.00 H new ATOM 0 HD22 LEU B 43 23.432 16.989 32.071 1.00 0.00 H new ATOM 0 HD23 LEU B 43 24.023 18.638 31.761 1.00 0.00 H new ATOM 1980 N ALA B 44 22.140 20.774 29.684 1.00 0.00 N ATOM 1981 CA ALA B 44 23.194 21.561 28.992 1.00 0.00 C ATOM 1982 C ALA B 44 22.729 23.013 28.891 1.00 0.00 C ATOM 1983 O ALA B 44 23.506 23.939 29.019 1.00 0.00 O ATOM 1984 CB ALA B 44 23.418 20.998 27.586 1.00 0.00 C ATOM 0 H ALA B 44 21.616 20.133 29.089 1.00 0.00 H new ATOM 0 HA ALA B 44 24.128 21.504 29.551 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.191 21.577 27.081 1.00 0.00 H new ATOM 0 HB2 ALA B 44 23.732 19.957 27.657 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.490 21.059 27.018 1.00 0.00 H new ATOM 1990 N SER B 45 21.459 23.217 28.671 1.00 0.00 N ATOM 1991 CA SER B 45 20.929 24.604 28.570 1.00 0.00 C ATOM 1992 C SER B 45 19.719 24.749 29.505 1.00 0.00 C ATOM 1993 O SER B 45 18.656 24.236 29.218 1.00 0.00 O ATOM 1994 CB SER B 45 20.497 24.876 27.127 1.00 0.00 C ATOM 1995 OG SER B 45 19.139 24.489 26.959 1.00 0.00 O ATOM 0 H SER B 45 20.764 22.479 28.557 1.00 0.00 H new ATOM 0 HA SER B 45 21.701 25.318 28.858 1.00 0.00 H new ATOM 0 HB2 SER B 45 20.617 25.934 26.893 1.00 0.00 H new ATOM 0 HB3 SER B 45 21.132 24.323 26.435 1.00 0.00 H new ATOM 0 HG SER B 45 18.943 23.724 27.539 1.00 0.00 H new ATOM 2001 N PRO B 46 19.914 25.444 30.599 1.00 0.00 N ATOM 2002 CA PRO B 46 18.847 25.666 31.592 1.00 0.00 C ATOM 2003 C PRO B 46 17.824 26.666 31.049 1.00 0.00 C ATOM 2004 O PRO B 46 16.738 26.806 31.574 1.00 0.00 O ATOM 2005 CB PRO B 46 19.594 26.223 32.809 1.00 0.00 C ATOM 2006 CG PRO B 46 20.925 26.801 32.273 1.00 0.00 C ATOM 2007 CD PRO B 46 21.201 26.086 30.937 1.00 0.00 C ATOM 0 HA PRO B 46 18.283 24.766 31.836 1.00 0.00 H new ATOM 0 HB2 PRO B 46 19.007 26.995 33.306 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.778 25.440 33.544 1.00 0.00 H new ATOM 0 HG2 PRO B 46 20.851 27.879 32.129 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.736 26.629 32.981 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.510 26.790 30.165 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.999 25.351 31.036 1.00 0.00 H new