USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 488 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 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 97:sc= -0.215 USER MOD Single : A 64 ASN : amide:sc= 0.0489 X(o=0.049,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.710 0.879 -9.881 1.00 0.00 N ATOM 230 CA LEU A 19 -4.597 0.484 -10.737 1.00 0.00 C ATOM 231 C LEU A 19 -3.908 -0.764 -10.193 1.00 0.00 C ATOM 232 O LEU A 19 -3.972 -1.050 -8.997 1.00 0.00 O ATOM 233 CB LEU A 19 -3.588 1.627 -10.855 1.00 0.00 C ATOM 234 CG LEU A 19 -3.729 2.523 -12.087 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.790 3.986 -11.678 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.579 2.284 -13.054 1.00 0.00 C ATOM 0 HA LEU A 19 -4.995 0.255 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.671 2.251 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.585 1.201 -10.853 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.661 2.270 -12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.890 4.608 -12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.648 4.146 -11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.876 4.254 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.695 2.930 -13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.634 2.509 -12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.582 1.242 -13.372 1.00 0.00 H new ATOM 248 N LEU A 20 -3.248 -1.502 -11.078 1.00 0.00 N ATOM 249 CA LEU A 20 -2.544 -2.718 -10.687 1.00 0.00 C ATOM 250 C LEU A 20 -1.052 -2.453 -10.516 1.00 0.00 C ATOM 251 O LEU A 20 -0.491 -1.567 -11.161 1.00 0.00 O ATOM 252 CB LEU A 20 -2.762 -3.815 -11.730 1.00 0.00 C ATOM 253 CG LEU A 20 -2.384 -5.234 -11.302 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.127 -5.625 -10.034 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.676 -6.224 -12.420 1.00 0.00 C ATOM 0 H LEU A 20 -3.186 -1.280 -12.072 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.947 -3.049 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.814 -3.812 -12.017 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.188 -3.561 -12.621 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.314 -5.257 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.845 -6.638 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.868 -4.933 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.201 -5.585 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.401 -7.228 -12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.739 -6.198 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.098 -5.955 -13.304 1.00 0.00 H new ATOM 267 N TYR A 21 -0.415 -3.228 -9.645 1.00 0.00 N ATOM 268 CA TYR A 21 1.013 -3.076 -9.389 1.00 0.00 C ATOM 269 C TYR A 21 1.702 -4.436 -9.324 1.00 0.00 C ATOM 270 O TYR A 21 1.098 -5.432 -8.926 1.00 0.00 O ATOM 271 CB TYR A 21 1.240 -2.314 -8.083 1.00 0.00 C ATOM 272 CG TYR A 21 1.375 -0.819 -8.270 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.255 0.001 -8.304 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.625 -0.228 -8.411 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.374 1.366 -8.476 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.754 1.137 -8.581 1.00 0.00 C ATOM 277 CZ TYR A 21 1.625 1.930 -8.613 1.00 0.00 C ATOM 278 OH TYR A 21 1.748 3.290 -8.782 1.00 0.00 O ATOM 0 H TYR A 21 -0.864 -3.967 -9.105 1.00 0.00 H new ATOM 0 HA TYR A 21 1.446 -2.508 -10.213 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.409 -2.514 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.141 -2.694 -7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.726 -0.436 -8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.510 -0.846 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.508 1.989 -8.503 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.733 1.581 -8.688 1.00 0.00 H new ATOM 0 HH TYR A 21 2.696 3.525 -8.862 1.00 0.00 H new ATOM 288 N ARG A 22 2.971 -4.468 -9.718 1.00 0.00 N ATOM 289 CA ARG A 22 3.743 -5.705 -9.705 1.00 0.00 C ATOM 290 C ARG A 22 5.216 -5.423 -9.422 1.00 0.00 C ATOM 291 O ARG A 22 5.703 -4.318 -9.662 1.00 0.00 O ATOM 292 CB ARG A 22 3.600 -6.434 -11.042 1.00 0.00 C ATOM 293 CG ARG A 22 2.344 -7.285 -11.140 1.00 0.00 C ATOM 294 CD ARG A 22 2.092 -7.743 -12.568 1.00 0.00 C ATOM 295 NE ARG A 22 3.148 -8.628 -13.053 1.00 0.00 N ATOM 296 CZ ARG A 22 3.311 -8.944 -14.333 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.492 -8.449 -15.251 1.00 0.00 N ATOM 298 NH2 ARG A 22 4.296 -9.755 -14.697 1.00 0.00 N ATOM 0 H ARG A 22 3.486 -3.652 -10.050 1.00 0.00 H new ATOM 0 HA ARG A 22 3.353 -6.340 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.595 -5.700 -11.848 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.472 -7.070 -11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.440 -8.154 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.487 -6.713 -10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.134 -8.260 -12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.020 -6.873 -13.221 1.00 0.00 H new ATOM 0 HE ARG A 22 3.795 -9.025 -12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.735 -7.824 -14.975 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.619 -8.693 -16.233 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.929 -10.136 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.420 -9.997 -15.680 1.00 0.00 H new ATOM 312 N ILE A 23 5.918 -6.429 -8.912 1.00 0.00 N ATOM 313 CA ILE A 23 7.335 -6.289 -8.598 1.00 0.00 C ATOM 314 C ILE A 23 8.202 -6.645 -9.800 1.00 0.00 C ATOM 315 O ILE A 23 7.786 -7.402 -10.678 1.00 0.00 O ATOM 316 CB ILE A 23 7.738 -7.178 -7.406 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.383 -8.639 -7.690 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.055 -6.700 -6.134 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.263 -9.628 -6.956 1.00 0.00 C ATOM 0 H ILE A 23 5.529 -7.350 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 23 7.498 -5.244 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 23 8.816 -7.105 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.344 -8.813 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.460 -8.822 -8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.350 -7.338 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.351 -5.672 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.974 -6.747 -6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.955 -10.644 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.301 -9.481 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.167 -9.472 -5.881 1.00 0.00 H new ATOM 331 N LYS A 24 9.412 -6.097 -9.833 1.00 0.00 N ATOM 332 CA LYS A 24 10.342 -6.358 -10.925 1.00 0.00 C ATOM 333 C LYS A 24 11.456 -7.299 -10.478 1.00 0.00 C ATOM 334 O LYS A 24 12.126 -7.051 -9.475 1.00 0.00 O ATOM 335 CB LYS A 24 10.942 -5.047 -11.437 1.00 0.00 C ATOM 336 CG LYS A 24 10.818 -4.867 -12.940 1.00 0.00 C ATOM 337 CD LYS A 24 12.155 -4.517 -13.572 1.00 0.00 C ATOM 338 CE LYS A 24 12.216 -4.958 -15.026 1.00 0.00 C ATOM 339 NZ LYS A 24 13.578 -5.424 -15.407 1.00 0.00 N ATOM 0 H LYS A 24 9.772 -5.468 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 24 9.788 -6.836 -11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.450 -4.212 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.996 -5.007 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.432 -5.784 -13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.096 -4.079 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.318 -3.441 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.959 -4.994 -13.012 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.498 -5.761 -15.193 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.922 -4.129 -15.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.578 -5.716 -16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.260 -4.650 -15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.848 -6.232 -14.810 1.00 0.00 H new ATOM 583 N LEU A 41 7.288 -3.449 3.772 1.00 0.00 N ATOM 584 CA LEU A 41 5.917 -3.845 4.072 1.00 0.00 C ATOM 585 C LEU A 41 5.065 -3.861 2.807 1.00 0.00 C ATOM 586 O LEU A 41 4.174 -4.698 2.656 1.00 0.00 O ATOM 587 CB LEU A 41 5.304 -2.893 5.100 1.00 0.00 C ATOM 588 CG LEU A 41 3.818 -3.095 5.401 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.583 -4.454 6.040 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.300 -1.983 6.301 1.00 0.00 C ATOM 0 HA LEU A 41 5.939 -4.853 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.860 -2.991 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.447 -1.871 4.750 1.00 0.00 H new ATOM 0 HG LEU A 41 3.268 -3.059 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.520 -4.580 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.916 -5.238 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.144 -4.520 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.241 -2.143 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.854 -1.986 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.433 -1.022 5.805 1.00 0.00 H new ATOM 602 N VAL A 42 5.346 -2.933 1.898 1.00 0.00 N ATOM 603 CA VAL A 42 4.609 -2.842 0.644 1.00 0.00 C ATOM 604 C VAL A 42 5.156 -3.823 -0.388 1.00 0.00 C ATOM 605 O VAL A 42 4.404 -4.583 -0.998 1.00 0.00 O ATOM 606 CB VAL A 42 4.664 -1.418 0.061 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.769 -1.306 -1.163 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.269 -0.396 1.116 1.00 0.00 C ATOM 0 H VAL A 42 6.080 -2.233 2.007 1.00 0.00 H new ATOM 0 HA VAL A 42 3.573 -3.094 0.868 1.00 0.00 H new ATOM 0 HB VAL A 42 5.688 -1.210 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.821 -0.292 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.103 -2.012 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.740 -1.533 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.313 0.605 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.254 -0.600 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.956 -0.460 1.960 1.00 0.00 H new ATOM 618 N TYR A 43 6.471 -3.801 -0.577 1.00 0.00 N ATOM 619 CA TYR A 43 7.120 -4.686 -1.536 1.00 0.00 C ATOM 620 C TYR A 43 6.801 -6.147 -1.232 1.00 0.00 C ATOM 621 O TYR A 43 6.805 -6.993 -2.126 1.00 0.00 O ATOM 622 CB TYR A 43 8.634 -4.470 -1.519 1.00 0.00 C ATOM 623 CG TYR A 43 9.366 -5.224 -2.605 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.712 -6.560 -2.439 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.712 -4.602 -3.799 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.381 -7.253 -3.429 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.381 -5.287 -4.794 1.00 0.00 C ATOM 628 CZ TYR A 43 10.713 -6.612 -4.605 1.00 0.00 C ATOM 629 OH TYR A 43 11.379 -7.300 -5.594 1.00 0.00 O ATOM 0 H TYR A 43 7.108 -3.180 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 43 6.737 -4.447 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.842 -3.405 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.025 -4.776 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.453 -7.065 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.453 -3.565 -3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.643 -8.291 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.643 -4.788 -5.715 1.00 0.00 H new ATOM 0 HH TYR A 43 11.537 -6.705 -6.357 1.00 0.00 H new ATOM 639 N GLN A 44 6.523 -6.433 0.036 1.00 0.00 N ATOM 640 CA GLN A 44 6.201 -7.791 0.459 1.00 0.00 C ATOM 641 C GLN A 44 4.831 -8.213 -0.062 1.00 0.00 C ATOM 642 O GLN A 44 4.659 -9.332 -0.547 1.00 0.00 O ATOM 643 CB GLN A 44 6.233 -7.894 1.985 1.00 0.00 C ATOM 644 CG GLN A 44 7.639 -7.941 2.562 1.00 0.00 C ATOM 645 CD GLN A 44 8.267 -9.317 2.456 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.978 -10.207 3.257 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.131 -9.499 1.464 1.00 0.00 N ATOM 0 H GLN A 44 6.514 -5.743 0.787 1.00 0.00 H new ATOM 0 HA GLN A 44 6.951 -8.462 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.703 -7.041 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.693 -8.790 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.266 -7.218 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.608 -7.639 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.341 -8.733 0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.585 -10.404 1.343 1.00 0.00 H new ATOM 656 N ILE A 45 3.861 -7.312 0.041 1.00 0.00 N ATOM 657 CA ILE A 45 2.507 -7.591 -0.420 1.00 0.00 C ATOM 658 C ILE A 45 2.447 -7.654 -1.943 1.00 0.00 C ATOM 659 O ILE A 45 1.748 -8.493 -2.512 1.00 0.00 O ATOM 660 CB ILE A 45 1.511 -6.527 0.078 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.533 -6.452 1.606 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.109 -6.838 -0.423 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.813 -5.244 2.162 1.00 0.00 C ATOM 0 H ILE A 45 3.987 -6.382 0.440 1.00 0.00 H new ATOM 0 HA ILE A 45 2.227 -8.560 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 45 1.810 -5.557 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.078 -7.355 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.568 -6.436 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.583 -6.077 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.105 -6.845 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.201 -7.815 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.869 -5.256 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.282 -4.335 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.232 -5.269 1.852 1.00 0.00 H new ATOM 675 N ILE A 46 3.186 -6.763 -2.596 1.00 0.00 N ATOM 676 CA ILE A 46 3.219 -6.720 -4.052 1.00 0.00 C ATOM 677 C ILE A 46 3.982 -7.912 -4.621 1.00 0.00 C ATOM 678 O ILE A 46 3.606 -8.466 -5.653 1.00 0.00 O ATOM 679 CB ILE A 46 3.867 -5.419 -4.562 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.151 -4.202 -3.974 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.840 -5.374 -6.082 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.852 -2.892 -4.258 1.00 0.00 C ATOM 0 H ILE A 46 3.769 -6.062 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 46 2.184 -6.759 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 46 4.907 -5.397 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.139 -4.157 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.061 -4.330 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.301 -4.449 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.392 -6.225 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.808 -5.416 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.288 -2.073 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.855 -2.916 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.919 -2.741 -5.335 1.00 0.00 H new ATOM 694 N GLU A 47 5.055 -8.301 -3.939 1.00 0.00 N ATOM 695 CA GLU A 47 5.870 -9.428 -4.376 1.00 0.00 C ATOM 696 C GLU A 47 5.059 -10.721 -4.367 1.00 0.00 C ATOM 697 O GLU A 47 5.134 -11.519 -5.302 1.00 0.00 O ATOM 698 CB GLU A 47 7.098 -9.577 -3.476 1.00 0.00 C ATOM 699 CG GLU A 47 7.960 -10.781 -3.817 1.00 0.00 C ATOM 700 CD GLU A 47 7.776 -11.926 -2.841 1.00 0.00 C ATOM 701 OE1 GLU A 47 6.717 -12.586 -2.895 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.689 -12.162 -2.023 1.00 0.00 O ATOM 0 H GLU A 47 5.380 -7.852 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 47 6.198 -9.232 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.704 -8.674 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.771 -9.657 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.717 -11.124 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.008 -10.482 -3.826 1.00 0.00 H new ATOM 709 N ASP A 48 4.287 -10.921 -3.305 1.00 0.00 N ATOM 710 CA ASP A 48 3.462 -12.116 -3.173 1.00 0.00 C ATOM 711 C ASP A 48 2.497 -12.243 -4.348 1.00 0.00 C ATOM 712 O ASP A 48 2.096 -13.345 -4.719 1.00 0.00 O ATOM 713 CB ASP A 48 2.682 -12.081 -1.858 1.00 0.00 C ATOM 714 CG ASP A 48 1.829 -13.318 -1.658 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.165 -14.371 -2.239 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.824 -13.234 -0.921 1.00 0.00 O ATOM 0 H ASP A 48 4.215 -10.271 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 48 4.121 -12.984 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.381 -11.987 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.045 -11.197 -1.840 1.00 0.00 H new ATOM 721 N ALA A 49 2.128 -11.106 -4.929 1.00 0.00 N ATOM 722 CA ALA A 49 1.211 -11.089 -6.062 1.00 0.00 C ATOM 723 C ALA A 49 1.858 -11.701 -7.300 1.00 0.00 C ATOM 724 O ALA A 49 1.184 -12.321 -8.122 1.00 0.00 O ATOM 725 CB ALA A 49 0.755 -9.667 -6.351 1.00 0.00 C ATOM 0 H ALA A 49 2.450 -10.184 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 49 0.341 -11.692 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.071 -9.670 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.246 -9.263 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.621 -9.048 -6.585 1.00 0.00 H new ATOM 731 N GLY A 50 3.169 -11.522 -7.428 1.00 0.00 N ATOM 732 CA GLY A 50 3.884 -12.062 -8.569 1.00 0.00 C ATOM 733 C GLY A 50 3.370 -11.516 -9.886 1.00 0.00 C ATOM 734 O GLY A 50 3.397 -10.309 -10.118 1.00 0.00 O ATOM 0 H GLY A 50 3.749 -11.012 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.945 -11.830 -8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.794 -13.148 -8.570 1.00 0.00 H new ATOM 738 N ASN A 51 2.901 -12.409 -10.752 1.00 0.00 N ATOM 739 CA ASN A 51 2.381 -12.010 -12.055 1.00 0.00 C ATOM 740 C ASN A 51 0.948 -11.500 -11.935 1.00 0.00 C ATOM 741 O ASN A 51 0.492 -10.698 -12.750 1.00 0.00 O ATOM 742 CB ASN A 51 2.435 -13.187 -13.031 1.00 0.00 C ATOM 743 CG ASN A 51 3.826 -13.782 -13.143 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.692 -13.240 -13.830 1.00 0.00 O ATOM 745 ND2 ASN A 51 4.045 -14.903 -12.466 1.00 0.00 N ATOM 0 H ASN A 51 2.870 -13.413 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 51 3.005 -11.202 -12.436 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.738 -13.959 -12.704 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.105 -12.855 -14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.961 -15.350 -12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.297 -15.317 -11.909 1.00 0.00 H new ATOM 752 N LYS A 52 0.242 -11.971 -10.913 1.00 0.00 N ATOM 753 CA LYS A 52 -1.139 -11.562 -10.683 1.00 0.00 C ATOM 754 C LYS A 52 -1.214 -10.087 -10.302 1.00 0.00 C ATOM 755 O LYS A 52 -2.220 -9.423 -10.546 1.00 0.00 O ATOM 756 CB LYS A 52 -1.769 -12.417 -9.582 1.00 0.00 C ATOM 757 CG LYS A 52 -1.534 -13.907 -9.759 1.00 0.00 C ATOM 758 CD LYS A 52 -2.479 -14.727 -8.897 1.00 0.00 C ATOM 759 CE LYS A 52 -1.949 -14.881 -7.479 1.00 0.00 C ATOM 760 NZ LYS A 52 -2.627 -13.955 -6.530 1.00 0.00 N ATOM 0 H LYS A 52 0.603 -12.637 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.694 -11.708 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.367 -12.106 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.842 -12.228 -9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.670 -14.176 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.503 -14.147 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.458 -14.248 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.618 -15.712 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.092 -15.909 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.876 -14.689 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.238 -14.091 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.470 -12.972 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.648 -14.155 -6.520 1.00 0.00 H new ATOM 774 N GLY A 53 -0.140 -9.580 -9.704 1.00 0.00 N ATOM 775 CA GLY A 53 -0.105 -8.186 -9.300 1.00 0.00 C ATOM 776 C GLY A 53 -1.139 -7.863 -8.241 1.00 0.00 C ATOM 777 O GLY A 53 -2.083 -8.627 -8.032 1.00 0.00 O ATOM 0 H GLY A 53 0.706 -10.109 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.888 -7.946 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.273 -7.554 -10.172 1.00 0.00 H new ATOM 781 N ILE A 54 -0.963 -6.730 -7.570 1.00 0.00 N ATOM 782 CA ILE A 54 -1.889 -6.308 -6.526 1.00 0.00 C ATOM 783 C ILE A 54 -2.385 -4.888 -6.773 1.00 0.00 C ATOM 784 O ILE A 54 -1.600 -3.990 -7.080 1.00 0.00 O ATOM 785 CB ILE A 54 -1.236 -6.378 -5.133 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.277 -6.107 -4.044 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.089 -5.384 -5.035 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.360 -7.200 -3.002 1.00 0.00 C ATOM 0 H ILE A 54 -0.187 -6.087 -7.731 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.734 -6.995 -6.556 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.835 -7.381 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.039 -5.164 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.255 -5.985 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.362 -5.446 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.661 -5.618 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.467 -4.375 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.118 -6.941 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.629 -8.141 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.394 -7.307 -2.509 1.00 0.00 H new ATOM 800 N TRP A 55 -3.691 -4.691 -6.634 1.00 0.00 N ATOM 801 CA TRP A 55 -4.292 -3.378 -6.839 1.00 0.00 C ATOM 802 C TRP A 55 -3.908 -2.421 -5.716 1.00 0.00 C ATOM 803 O TRP A 55 -3.801 -2.822 -4.557 1.00 0.00 O ATOM 804 CB TRP A 55 -5.814 -3.499 -6.925 1.00 0.00 C ATOM 805 CG TRP A 55 -6.276 -4.432 -8.003 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.459 -5.781 -7.895 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.611 -4.086 -9.351 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.888 -6.295 -9.095 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.990 -5.276 -10.004 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.631 -2.888 -10.069 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.381 -5.298 -11.340 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.019 -2.912 -11.395 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.391 -4.110 -12.019 1.00 0.00 C ATOM 0 H TRP A 55 -4.354 -5.423 -6.380 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.913 -2.976 -7.778 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.199 -3.845 -5.966 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.240 -2.512 -7.102 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.291 -6.359 -6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.097 -7.276 -9.279 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.348 -1.959 -9.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.666 -6.221 -11.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.036 -1.992 -11.960 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.692 -4.096 -13.056 1.00 0.00 H new ATOM 824 N SER A 56 -3.702 -1.156 -6.066 1.00 0.00 N ATOM 825 CA SER A 56 -3.327 -0.143 -5.086 1.00 0.00 C ATOM 826 C SER A 56 -4.305 -0.131 -3.915 1.00 0.00 C ATOM 827 O SER A 56 -3.939 0.210 -2.790 1.00 0.00 O ATOM 828 CB SER A 56 -3.281 1.239 -5.742 1.00 0.00 C ATOM 829 OG SER A 56 -3.780 2.235 -4.867 1.00 0.00 O ATOM 0 H SER A 56 -3.788 -0.808 -7.021 1.00 0.00 H new ATOM 0 HA SER A 56 -2.336 -0.390 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.255 1.478 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.869 1.229 -6.660 1.00 0.00 H new ATOM 0 HG SER A 56 -3.739 3.109 -5.309 1.00 0.00 H new ATOM 835 N ARG A 57 -5.551 -0.504 -4.189 1.00 0.00 N ATOM 836 CA ARG A 57 -6.583 -0.535 -3.160 1.00 0.00 C ATOM 837 C ARG A 57 -6.384 -1.726 -2.226 1.00 0.00 C ATOM 838 O ARG A 57 -6.653 -1.639 -1.028 1.00 0.00 O ATOM 839 CB ARG A 57 -7.970 -0.602 -3.801 1.00 0.00 C ATOM 840 CG ARG A 57 -8.605 0.761 -4.023 1.00 0.00 C ATOM 841 CD ARG A 57 -10.120 0.695 -3.910 1.00 0.00 C ATOM 842 NE ARG A 57 -10.596 1.196 -2.624 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.690 2.487 -2.328 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.343 3.403 -3.222 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.133 2.865 -1.135 1.00 0.00 N ATOM 0 H ARG A 57 -5.870 -0.789 -5.115 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.505 0.381 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.894 -1.118 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.625 -1.200 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.215 1.469 -3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.329 1.136 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.569 1.278 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.449 -0.336 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.871 0.517 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.003 3.117 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.416 4.394 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.401 2.163 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.205 3.857 -0.908 1.00 0.00 H new ATOM 859 N ASP A 58 -5.912 -2.835 -2.783 1.00 0.00 N ATOM 860 CA ASP A 58 -5.676 -4.043 -2.001 1.00 0.00 C ATOM 861 C ASP A 58 -4.427 -3.897 -1.139 1.00 0.00 C ATOM 862 O ASP A 58 -4.479 -4.057 0.081 1.00 0.00 O ATOM 863 CB ASP A 58 -5.535 -5.255 -2.924 1.00 0.00 C ATOM 864 CG ASP A 58 -6.718 -6.198 -2.826 1.00 0.00 C ATOM 865 OD1 ASP A 58 -6.689 -7.100 -1.963 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.674 -6.033 -3.613 1.00 0.00 O ATOM 0 H ASP A 58 -5.685 -2.923 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.533 -4.194 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.431 -4.914 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.622 -5.795 -2.673 1.00 0.00 H new ATOM 871 N VAL A 59 -3.303 -3.592 -1.780 1.00 0.00 N ATOM 872 CA VAL A 59 -2.040 -3.424 -1.072 1.00 0.00 C ATOM 873 C VAL A 59 -2.159 -2.370 0.022 1.00 0.00 C ATOM 874 O VAL A 59 -1.413 -2.389 1.001 1.00 0.00 O ATOM 875 CB VAL A 59 -0.906 -3.024 -2.035 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.263 -1.746 -2.779 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.403 -2.861 -1.277 1.00 0.00 C ATOM 0 H VAL A 59 -3.242 -3.456 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.800 -4.386 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.778 -3.820 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.450 -1.479 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.176 -1.902 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.419 -0.939 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.193 -2.578 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.291 -2.085 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.664 -3.803 -0.795 1.00 0.00 H new ATOM 887 N ARG A 60 -3.103 -1.450 -0.150 1.00 0.00 N ATOM 888 CA ARG A 60 -3.319 -0.386 0.823 1.00 0.00 C ATOM 889 C ARG A 60 -4.008 -0.925 2.073 1.00 0.00 C ATOM 890 O ARG A 60 -3.653 -0.563 3.195 1.00 0.00 O ATOM 891 CB ARG A 60 -4.160 0.734 0.207 1.00 0.00 C ATOM 892 CG ARG A 60 -4.383 1.912 1.141 1.00 0.00 C ATOM 893 CD ARG A 60 -5.658 2.664 0.794 1.00 0.00 C ATOM 894 NE ARG A 60 -6.554 2.780 1.941 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.374 1.812 2.335 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.410 0.661 1.677 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.159 1.993 3.389 1.00 0.00 N ATOM 0 H ARG A 60 -3.730 -1.420 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.346 0.014 1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.670 1.088 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.127 0.329 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.437 1.557 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.532 2.590 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.404 3.660 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.173 2.150 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.550 3.653 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.807 0.518 0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.040 -0.081 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.134 2.876 3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.788 1.249 3.690 1.00 0.00 H new ATOM 911 N TYR A 61 -4.995 -1.792 1.872 1.00 0.00 N ATOM 912 CA TYR A 61 -5.736 -2.378 2.982 1.00 0.00 C ATOM 913 C TYR A 61 -4.834 -3.275 3.825 1.00 0.00 C ATOM 914 O TYR A 61 -4.784 -3.151 5.049 1.00 0.00 O ATOM 915 CB TYR A 61 -6.928 -3.182 2.459 1.00 0.00 C ATOM 916 CG TYR A 61 -8.101 -3.215 3.413 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.639 -2.040 3.923 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.670 -4.420 3.804 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.710 -2.064 4.795 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.742 -4.454 4.675 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.258 -3.274 5.167 1.00 0.00 C ATOM 922 OH TYR A 61 -11.326 -3.304 6.036 1.00 0.00 O ATOM 0 H TYR A 61 -5.300 -2.104 0.950 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.102 -1.566 3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.254 -2.757 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.606 -4.204 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.212 -1.091 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.268 -5.346 3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.116 -1.141 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.173 -5.400 4.969 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.593 -4.234 6.195 1.00 0.00 H new ATOM 932 N LYS A 62 -4.121 -4.179 3.161 1.00 0.00 N ATOM 933 CA LYS A 62 -3.219 -5.096 3.846 1.00 0.00 C ATOM 934 C LYS A 62 -2.084 -4.337 4.527 1.00 0.00 C ATOM 935 O LYS A 62 -1.586 -4.754 5.572 1.00 0.00 O ATOM 936 CB LYS A 62 -2.645 -6.113 2.857 1.00 0.00 C ATOM 937 CG LYS A 62 -3.696 -7.012 2.230 1.00 0.00 C ATOM 938 CD LYS A 62 -3.158 -8.412 1.984 1.00 0.00 C ATOM 939 CE LYS A 62 -3.049 -8.713 0.497 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.299 -10.152 0.203 1.00 0.00 N ATOM 0 H LYS A 62 -4.151 -4.296 2.148 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.790 -5.623 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.117 -5.580 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.910 -6.732 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.567 -7.066 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.031 -6.579 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.178 -8.513 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.813 -9.143 2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.765 -8.101 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.056 -8.437 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.216 -10.317 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.600 -10.736 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.256 -10.410 0.518 1.00 0.00 H new ATOM 954 N SER A 63 -1.683 -3.221 3.928 1.00 0.00 N ATOM 955 CA SER A 63 -0.605 -2.404 4.475 1.00 0.00 C ATOM 956 C SER A 63 -1.117 -1.518 5.607 1.00 0.00 C ATOM 957 O SER A 63 -0.353 -1.099 6.475 1.00 0.00 O ATOM 958 CB SER A 63 0.017 -1.541 3.377 1.00 0.00 C ATOM 959 OG SER A 63 0.784 -2.328 2.482 1.00 0.00 O ATOM 0 H SER A 63 -2.088 -2.861 3.064 1.00 0.00 H new ATOM 0 HA SER A 63 0.157 -3.072 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.769 -1.023 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.649 -0.775 3.826 1.00 0.00 H new ATOM 0 HG SER A 63 0.244 -2.548 1.695 1.00 0.00 H new ATOM 965 N ASN A 64 -2.416 -1.237 5.589 1.00 0.00 N ATOM 966 CA ASN A 64 -3.031 -0.400 6.613 1.00 0.00 C ATOM 967 C ASN A 64 -2.459 1.014 6.575 1.00 0.00 C ATOM 968 O ASN A 64 -2.387 1.694 7.599 1.00 0.00 O ATOM 969 CB ASN A 64 -2.816 -1.012 7.998 1.00 0.00 C ATOM 970 CG ASN A 64 -4.090 -1.041 8.821 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.528 -2.101 9.270 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.691 0.125 9.022 1.00 0.00 N ATOM 0 H ASN A 64 -3.063 -1.576 4.877 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.100 -0.346 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.434 -2.027 7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.055 -0.441 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.552 0.168 9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.292 0.978 8.631 1.00 0.00 H new ATOM 979 N LEU A 65 -2.055 1.451 5.387 1.00 0.00 N ATOM 980 CA LEU A 65 -1.489 2.785 5.215 1.00 0.00 C ATOM 981 C LEU A 65 -2.404 3.658 4.361 1.00 0.00 C ATOM 982 O LEU A 65 -3.039 3.194 3.414 1.00 0.00 O ATOM 983 CB LEU A 65 -0.105 2.694 4.570 1.00 0.00 C ATOM 984 CG LEU A 65 0.836 1.637 5.148 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.080 1.499 4.284 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.216 1.985 6.580 1.00 0.00 C ATOM 0 H LEU A 65 -2.109 0.902 4.529 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.395 3.243 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.234 2.494 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.378 3.667 4.655 1.00 0.00 H new ATOM 0 HG LEU A 65 0.314 0.680 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.738 0.742 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.792 1.202 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.604 2.454 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.886 1.221 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.718 2.952 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.317 2.031 7.194 1.00 0.00 H new ATOM 998 N PRO A 66 -2.473 4.953 4.702 1.00 0.00 N ATOM 999 CA PRO A 66 -3.305 5.919 3.977 1.00 0.00 C ATOM 1000 C PRO A 66 -2.768 6.213 2.581 1.00 0.00 C ATOM 1001 O PRO A 66 -1.578 6.041 2.312 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.235 7.173 4.852 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.949 7.047 5.593 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.744 5.575 5.819 1.00 0.00 C ATOM 0 HA PRO A 66 -4.318 5.548 3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.256 8.079 4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.082 7.226 5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.125 7.472 5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.990 7.585 6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.687 5.310 5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.140 5.258 6.784 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.652 6.658 1.694 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.266 6.978 0.324 1.00 0.00 C ATOM 1014 C LEU A 67 -2.071 7.925 0.301 1.00 0.00 C ATOM 1015 O LEU A 67 -1.180 7.799 -0.540 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.444 7.605 -0.425 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.229 8.675 0.335 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.287 9.966 -0.467 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.632 8.180 0.655 1.00 0.00 C ATOM 0 H LEU A 67 -4.640 6.805 1.899 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.980 6.051 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.068 8.046 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.133 6.810 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.714 8.878 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.850 10.715 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.275 10.330 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.778 9.779 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.176 8.954 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.156 7.948 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.570 7.283 1.271 1.00 0.00 H new ATOM 1031 N THR A 68 -2.057 8.874 1.232 1.00 0.00 N ATOM 1032 CA THR A 68 -0.971 9.843 1.319 1.00 0.00 C ATOM 1033 C THR A 68 0.379 9.145 1.441 1.00 0.00 C ATOM 1034 O THR A 68 1.401 9.672 1.003 1.00 0.00 O ATOM 1035 CB THR A 68 -1.158 10.789 2.521 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.019 11.647 2.650 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.352 9.999 3.806 1.00 0.00 C ATOM 0 H THR A 68 -2.785 8.992 1.936 1.00 0.00 H new ATOM 0 HA THR A 68 -0.993 10.427 0.399 1.00 0.00 H new ATOM 0 HB THR A 68 -2.049 11.392 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.146 12.246 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.482 10.688 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.236 9.368 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.477 9.374 3.984 1.00 0.00 H new ATOM 1045 N GLU A 69 0.375 7.958 2.039 1.00 0.00 N ATOM 1046 CA GLU A 69 1.601 7.189 2.217 1.00 0.00 C ATOM 1047 C GLU A 69 1.847 6.272 1.023 1.00 0.00 C ATOM 1048 O GLU A 69 2.886 6.356 0.367 1.00 0.00 O ATOM 1049 CB GLU A 69 1.528 6.361 3.503 1.00 0.00 C ATOM 1050 CG GLU A 69 1.536 7.201 4.769 1.00 0.00 C ATOM 1051 CD GLU A 69 2.880 7.854 5.027 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.756 7.194 5.625 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.057 9.025 4.630 1.00 0.00 O ATOM 0 H GLU A 69 -0.463 7.508 2.408 1.00 0.00 H new ATOM 0 HA GLU A 69 2.432 7.891 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.622 5.756 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.372 5.671 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.770 7.973 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.272 6.572 5.619 1.00 0.00 H new ATOM 1060 N ILE A 70 0.885 5.398 0.747 1.00 0.00 N ATOM 1061 CA ILE A 70 0.997 4.466 -0.368 1.00 0.00 C ATOM 1062 C ILE A 70 1.343 5.196 -1.662 1.00 0.00 C ATOM 1063 O ILE A 70 2.055 4.666 -2.513 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.307 3.673 -0.572 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.664 2.900 0.699 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.171 2.725 -1.754 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.354 1.846 1.071 1.00 0.00 C ATOM 0 H ILE A 70 0.019 5.316 1.280 1.00 0.00 H new ATOM 0 HA ILE A 70 1.800 3.772 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.112 4.376 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.766 3.603 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.635 2.424 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.101 2.172 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.041 3.297 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.644 2.026 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.036 1.338 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.439 1.121 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.322 2.318 1.238 1.00 0.00 H new ATOM 1079 N ASN A 71 0.835 6.416 -1.800 1.00 0.00 N ATOM 1080 CA ASN A 71 1.091 7.220 -2.989 1.00 0.00 C ATOM 1081 C ASN A 71 2.578 7.534 -3.124 1.00 0.00 C ATOM 1082 O ASN A 71 3.114 7.591 -4.231 1.00 0.00 O ATOM 1083 CB ASN A 71 0.287 8.521 -2.934 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.164 8.321 -3.328 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.492 7.409 -4.088 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -2.040 9.176 -2.813 1.00 0.00 N ATOM 0 H ASN A 71 0.244 6.869 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 71 0.779 6.644 -3.860 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.334 8.931 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.743 9.255 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.030 9.092 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.723 9.916 -2.187 1.00 0.00 H new ATOM 1093 N LYS A 72 3.240 7.736 -1.990 1.00 0.00 N ATOM 1094 CA LYS A 72 4.665 8.041 -1.979 1.00 0.00 C ATOM 1095 C LYS A 72 5.496 6.764 -2.048 1.00 0.00 C ATOM 1096 O LYS A 72 6.529 6.721 -2.718 1.00 0.00 O ATOM 1097 CB LYS A 72 5.029 8.831 -0.720 1.00 0.00 C ATOM 1098 CG LYS A 72 6.517 9.098 -0.578 1.00 0.00 C ATOM 1099 CD LYS A 72 6.844 9.732 0.764 1.00 0.00 C ATOM 1100 CE LYS A 72 6.320 11.157 0.849 1.00 0.00 C ATOM 1101 NZ LYS A 72 6.586 11.768 2.181 1.00 0.00 N ATOM 0 H LYS A 72 2.811 7.694 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 72 4.888 8.646 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.497 9.782 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.682 8.283 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.067 8.163 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.848 9.755 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.409 9.135 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.923 9.730 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.787 11.762 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.247 11.162 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.214 12.739 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.119 11.205 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.611 11.787 2.356 1.00 0.00 H new ATOM 1115 N ILE A 73 5.038 5.728 -1.355 1.00 0.00 N ATOM 1116 CA ILE A 73 5.739 4.449 -1.341 1.00 0.00 C ATOM 1117 C ILE A 73 5.750 3.813 -2.727 1.00 0.00 C ATOM 1118 O ILE A 73 6.812 3.546 -3.290 1.00 0.00 O ATOM 1119 CB ILE A 73 5.098 3.467 -0.343 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.100 4.064 1.066 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.835 2.137 -0.362 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.323 3.242 2.071 1.00 0.00 C ATOM 0 H ILE A 73 4.185 5.748 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 73 6.763 4.654 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 73 4.064 3.291 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.130 4.163 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.679 5.069 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.370 1.453 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.786 1.708 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.877 2.295 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.367 3.724 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.284 3.164 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.758 2.245 2.139 1.00 0.00 H new ATOM 1134 N LEU A 74 4.562 3.575 -3.272 1.00 0.00 N ATOM 1135 CA LEU A 74 4.435 2.972 -4.594 1.00 0.00 C ATOM 1136 C LEU A 74 5.229 3.759 -5.631 1.00 0.00 C ATOM 1137 O LEU A 74 5.725 3.197 -6.607 1.00 0.00 O ATOM 1138 CB LEU A 74 2.963 2.906 -5.006 1.00 0.00 C ATOM 1139 CG LEU A 74 2.136 1.790 -4.365 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.674 1.912 -4.764 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.686 0.426 -4.757 1.00 0.00 C ATOM 0 H LEU A 74 3.674 3.790 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 74 4.839 1.961 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.496 3.861 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.914 2.791 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 74 2.205 1.890 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.102 1.110 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.285 2.875 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.585 1.839 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.085 -0.356 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.648 0.316 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.719 0.339 -4.419 1.00 0.00 H new ATOM 1153 N LYS A 75 5.349 5.064 -5.411 1.00 0.00 N ATOM 1154 CA LYS A 75 6.086 5.930 -6.324 1.00 0.00 C ATOM 1155 C LYS A 75 7.583 5.878 -6.033 1.00 0.00 C ATOM 1156 O LYS A 75 8.405 6.116 -6.916 1.00 0.00 O ATOM 1157 CB LYS A 75 5.584 7.371 -6.211 1.00 0.00 C ATOM 1158 CG LYS A 75 5.860 8.210 -7.446 1.00 0.00 C ATOM 1159 CD LYS A 75 4.770 8.040 -8.491 1.00 0.00 C ATOM 1160 CE LYS A 75 3.576 8.937 -8.202 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.811 9.257 -9.439 1.00 0.00 N ATOM 0 H LYS A 75 4.945 5.545 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 75 5.918 5.572 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.510 7.359 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.054 7.844 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.934 9.260 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.822 7.926 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.171 8.273 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.447 6.999 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.918 8.446 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.920 9.861 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.005 9.870 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.432 9.748 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.461 8.377 -9.868 1.00 0.00 H new ATOM 1175 N ASN A 76 7.928 5.564 -4.788 1.00 0.00 N ATOM 1176 CA ASN A 76 9.327 5.480 -4.382 1.00 0.00 C ATOM 1177 C ASN A 76 10.022 4.305 -5.064 1.00 0.00 C ATOM 1178 O ASN A 76 10.988 4.487 -5.805 1.00 0.00 O ATOM 1179 CB ASN A 76 9.429 5.335 -2.862 1.00 0.00 C ATOM 1180 CG ASN A 76 10.400 6.327 -2.251 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.616 6.150 -2.327 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.866 7.379 -1.641 1.00 0.00 N ATOM 0 H ASN A 76 7.260 5.364 -4.044 1.00 0.00 H new ATOM 0 HA ASN A 76 9.825 6.400 -4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.443 5.476 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.747 4.322 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.470 8.080 -1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.852 7.486 -1.602 1.00 0.00 H new ATOM 1189 N LEU A 77 9.523 3.101 -4.809 1.00 0.00 N ATOM 1190 CA LEU A 77 10.095 1.895 -5.398 1.00 0.00 C ATOM 1191 C LEU A 77 10.216 2.034 -6.912 1.00 0.00 C ATOM 1192 O LEU A 77 11.110 1.454 -7.528 1.00 0.00 O ATOM 1193 CB LEU A 77 9.235 0.678 -5.053 1.00 0.00 C ATOM 1194 CG LEU A 77 9.510 0.023 -3.699 1.00 0.00 C ATOM 1195 CD1 LEU A 77 8.457 -1.029 -3.391 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.902 -0.591 -3.677 1.00 0.00 C ATOM 0 H LEU A 77 8.723 2.933 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 77 11.093 1.756 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.188 0.978 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.374 -0.072 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 77 9.461 0.792 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.669 -1.484 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.473 -0.562 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.473 -1.797 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.081 -1.053 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.978 -1.347 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.646 0.187 -3.851 1.00 0.00 H new ATOM 1208 N GLU A 78 9.313 2.808 -7.505 1.00 0.00 N ATOM 1209 CA GLU A 78 9.320 3.024 -8.947 1.00 0.00 C ATOM 1210 C GLU A 78 10.670 3.564 -9.409 1.00 0.00 C ATOM 1211 O GLU A 78 11.345 2.953 -10.237 1.00 0.00 O ATOM 1212 CB GLU A 78 8.207 3.995 -9.345 1.00 0.00 C ATOM 1213 CG GLU A 78 7.565 3.669 -10.683 1.00 0.00 C ATOM 1214 CD GLU A 78 7.535 4.859 -11.622 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.428 6.001 -11.129 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.620 4.648 -12.850 1.00 0.00 O ATOM 0 H GLU A 78 8.567 3.296 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 78 9.146 2.064 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.439 3.990 -8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.614 5.005 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.112 2.853 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.547 3.317 -10.517 1.00 0.00 H new ATOM 1223 N SER A 79 11.058 4.715 -8.868 1.00 0.00 N ATOM 1224 CA SER A 79 12.325 5.341 -9.227 1.00 0.00 C ATOM 1225 C SER A 79 13.492 4.393 -8.967 1.00 0.00 C ATOM 1226 O SER A 79 14.482 4.392 -9.698 1.00 0.00 O ATOM 1227 CB SER A 79 12.520 6.637 -8.438 1.00 0.00 C ATOM 1228 OG SER A 79 13.723 7.286 -8.812 1.00 0.00 O ATOM 0 H SER A 79 10.512 5.233 -8.179 1.00 0.00 H new ATOM 0 HA SER A 79 12.298 5.573 -10.292 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.675 7.303 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.538 6.417 -7.371 1.00 0.00 H new ATOM 0 HG SER A 79 13.823 8.112 -8.295 1.00 0.00 H new ATOM 1234 N LYS A 80 13.368 3.587 -7.918 1.00 0.00 N ATOM 1235 CA LYS A 80 14.410 2.632 -7.559 1.00 0.00 C ATOM 1236 C LYS A 80 14.509 1.519 -8.597 1.00 0.00 C ATOM 1237 O LYS A 80 15.465 0.743 -8.601 1.00 0.00 O ATOM 1238 CB LYS A 80 14.128 2.034 -6.179 1.00 0.00 C ATOM 1239 CG LYS A 80 13.767 3.070 -5.129 1.00 0.00 C ATOM 1240 CD LYS A 80 14.333 2.704 -3.766 1.00 0.00 C ATOM 1241 CE LYS A 80 15.851 2.796 -3.751 1.00 0.00 C ATOM 1242 NZ LYS A 80 16.326 4.014 -3.037 1.00 0.00 N ATOM 0 H LYS A 80 12.556 3.576 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 80 15.361 3.163 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.313 1.315 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.006 1.482 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.148 4.045 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.683 3.159 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.919 3.370 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.026 1.692 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.264 1.909 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.224 2.807 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.366 4.040 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.953 4.862 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.991 3.992 -2.053 1.00 0.00 H new ATOM 1256 N LYS A 81 13.516 1.446 -9.476 1.00 0.00 N ATOM 1257 CA LYS A 81 13.492 0.430 -10.522 1.00 0.00 C ATOM 1258 C LYS A 81 13.399 -0.968 -9.919 1.00 0.00 C ATOM 1259 O LYS A 81 13.955 -1.926 -10.457 1.00 0.00 O ATOM 1260 CB LYS A 81 14.744 0.537 -11.395 1.00 0.00 C ATOM 1261 CG LYS A 81 14.557 -0.020 -12.796 1.00 0.00 C ATOM 1262 CD LYS A 81 15.892 -0.291 -13.470 1.00 0.00 C ATOM 1263 CE LYS A 81 15.911 -1.657 -14.139 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.285 -2.051 -14.557 1.00 0.00 N ATOM 0 H LYS A 81 12.716 2.079 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 81 12.610 0.601 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.039 1.584 -11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.563 0.007 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.979 -0.943 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.982 0.686 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.089 0.482 -14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.692 -0.235 -12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.512 -2.403 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.256 -1.644 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.255 -2.987 -15.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.656 -1.353 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.904 -2.089 -13.722 1.00 0.00 H new ATOM 1278 N LEU A 82 12.691 -1.079 -8.800 1.00 0.00 N ATOM 1279 CA LEU A 82 12.523 -2.361 -8.125 1.00 0.00 C ATOM 1280 C LEU A 82 11.180 -2.992 -8.479 1.00 0.00 C ATOM 1281 O LEU A 82 11.025 -4.213 -8.432 1.00 0.00 O ATOM 1282 CB LEU A 82 12.630 -2.180 -6.609 1.00 0.00 C ATOM 1283 CG LEU A 82 14.042 -1.984 -6.055 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.001 -1.797 -4.546 1.00 0.00 C ATOM 1285 CD2 LEU A 82 14.928 -3.164 -6.424 1.00 0.00 C ATOM 0 H LEU A 82 12.224 -0.297 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 82 13.317 -3.027 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.026 -1.319 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.190 -3.053 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 82 14.466 -1.084 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.014 -1.659 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.401 -0.920 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.558 -2.678 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.929 -3.007 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.508 -4.079 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.983 -3.252 -7.509 1.00 0.00 H new ATOM 1297 N ILE A 83 10.214 -2.152 -8.835 1.00 0.00 N ATOM 1298 CA ILE A 83 8.886 -2.628 -9.201 1.00 0.00 C ATOM 1299 C ILE A 83 8.453 -2.067 -10.551 1.00 0.00 C ATOM 1300 O ILE A 83 9.105 -1.182 -11.106 1.00 0.00 O ATOM 1301 CB ILE A 83 7.838 -2.245 -8.139 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.763 -0.724 -7.991 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.173 -2.896 -6.805 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.741 -0.266 -6.974 1.00 0.00 C ATOM 0 H ILE A 83 10.326 -1.139 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 83 8.947 -3.714 -9.265 1.00 0.00 H new ATOM 0 HB ILE A 83 6.863 -2.609 -8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.744 -0.346 -7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.523 -0.284 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.423 -2.616 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.181 -3.980 -6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.155 -2.559 -6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.742 0.823 -6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.751 -0.614 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.992 -0.677 -5.996 1.00 0.00 H new ATOM 1316 N LYS A 84 7.348 -2.586 -11.075 1.00 0.00 N ATOM 1317 CA LYS A 84 6.824 -2.136 -12.359 1.00 0.00 C ATOM 1318 C LYS A 84 5.309 -1.970 -12.301 1.00 0.00 C ATOM 1319 O LYS A 84 4.581 -2.923 -12.025 1.00 0.00 O ATOM 1320 CB LYS A 84 7.197 -3.129 -13.462 1.00 0.00 C ATOM 1321 CG LYS A 84 6.700 -4.540 -13.202 1.00 0.00 C ATOM 1322 CD LYS A 84 7.384 -5.548 -14.111 1.00 0.00 C ATOM 1323 CE LYS A 84 6.384 -6.521 -14.717 1.00 0.00 C ATOM 1324 NZ LYS A 84 5.752 -5.971 -15.948 1.00 0.00 N ATOM 0 H LYS A 84 6.797 -3.320 -10.629 1.00 0.00 H new ATOM 0 HA LYS A 84 7.269 -1.167 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.788 -2.777 -14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.281 -3.149 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.883 -4.805 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.622 -4.581 -13.357 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.910 -5.022 -14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.133 -6.101 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.887 -7.458 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.611 -6.751 -13.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.077 -6.664 -16.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.250 -5.090 -15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.487 -5.775 -16.657 1.00 0.00 H new ATOM 1338 N ALA A 85 4.841 -0.754 -12.563 1.00 0.00 N ATOM 1339 CA ALA A 85 3.412 -0.465 -12.544 1.00 0.00 C ATOM 1340 C ALA A 85 2.725 -1.010 -13.792 1.00 0.00 C ATOM 1341 O ALA A 85 3.281 -0.965 -14.889 1.00 0.00 O ATOM 1342 CB ALA A 85 3.179 1.034 -12.422 1.00 0.00 C ATOM 0 H ALA A 85 5.430 0.047 -12.791 1.00 0.00 H new ATOM 0 HA ALA A 85 2.977 -0.961 -11.676 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.108 1.236 -12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.628 1.398 -11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.634 1.543 -13.272 1.00 0.00 H new ATOM 1348 N VAL A 86 1.512 -1.524 -13.616 1.00 0.00 N ATOM 1349 CA VAL A 86 0.748 -2.078 -14.728 1.00 0.00 C ATOM 1350 C VAL A 86 -0.669 -1.517 -14.754 1.00 0.00 C ATOM 1351 O VAL A 86 -1.454 -1.740 -13.832 1.00 0.00 O ATOM 1352 CB VAL A 86 0.680 -3.615 -14.652 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.007 -4.230 -15.071 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.294 -4.062 -13.250 1.00 0.00 C ATOM 0 H VAL A 86 1.037 -1.568 -12.714 1.00 0.00 H new ATOM 0 HA VAL A 86 1.266 -1.790 -15.643 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.088 -3.962 -15.343 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.940 -5.316 -15.011 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.237 -3.937 -16.095 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.797 -3.878 -14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.251 -5.151 -13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.037 -3.705 -12.537 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.682 -3.651 -12.993 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.992 -0.789 -15.817 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.317 -0.197 -15.966 1.00 0.00 C ATOM 1366 C LYS A 87 -3.192 -1.045 -16.884 1.00 0.00 C ATOM 1367 O LYS A 87 -2.692 -1.718 -17.785 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.203 1.224 -16.522 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.535 1.292 -17.885 1.00 0.00 C ATOM 1370 CD LYS A 87 -2.292 2.209 -18.832 1.00 0.00 C ATOM 1371 CE LYS A 87 -2.245 3.655 -18.363 1.00 0.00 C ATOM 1372 NZ LYS A 87 -1.401 4.500 -19.253 1.00 0.00 N ATOM 0 H LYS A 87 -0.354 -0.594 -16.589 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.784 -0.159 -14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.200 1.658 -16.593 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.638 1.836 -15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.511 1.649 -17.772 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.478 0.291 -18.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.864 2.135 -19.832 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.329 1.882 -18.905 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.257 4.059 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.853 3.695 -17.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.395 5.478 -18.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.429 4.130 -19.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.789 4.483 -20.218 1.00 0.00 H new