USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 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 Set 1.1: A 72 LYS NZ :NH3+ -114:sc= -0.289 (180deg=-0.178) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.944 K(o=-1.2,f=-1.9!) 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=-0.00594 X(o=-0.0059,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.36) USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.56!) 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 170:sc= -1.15 USER MOD Single : A 64 ASN : amide:sc= 0.0749 X(o=0.075,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.709 K(o=-0.71,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.02) 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+ -163:sc= -0.0255 (180deg=-0.259) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.534 0.962 -10.016 1.00 0.00 N ATOM 230 CA LEU A 19 -4.441 0.519 -10.875 1.00 0.00 C ATOM 231 C LEU A 19 -3.783 -0.738 -10.314 1.00 0.00 C ATOM 232 O LEU A 19 -3.843 -1.000 -9.112 1.00 0.00 O ATOM 233 CB LEU A 19 -3.401 1.630 -11.024 1.00 0.00 C ATOM 234 CG LEU A 19 -3.504 2.481 -12.291 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.396 3.959 -11.951 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.428 2.081 -13.290 1.00 0.00 C ATOM 0 HA LEU A 19 -4.855 0.283 -11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.478 2.290 -10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.409 1.178 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.478 2.305 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.471 4.549 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.203 4.236 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.436 4.153 -11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.516 2.696 -14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.444 2.228 -12.844 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.552 1.032 -13.557 1.00 0.00 H new ATOM 248 N LEU A 20 -3.153 -1.511 -11.192 1.00 0.00 N ATOM 249 CA LEU A 20 -2.481 -2.740 -10.785 1.00 0.00 C ATOM 250 C LEU A 20 -0.980 -2.513 -10.629 1.00 0.00 C ATOM 251 O LEU A 20 -0.399 -1.654 -11.292 1.00 0.00 O ATOM 252 CB LEU A 20 -2.737 -3.848 -11.808 1.00 0.00 C ATOM 253 CG LEU A 20 -2.400 -5.269 -11.357 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.148 -5.615 -10.079 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.727 -6.269 -12.456 1.00 0.00 C ATOM 0 H LEU A 20 -3.094 -1.308 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.887 -3.045 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.789 -3.818 -12.090 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.160 -3.627 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.331 -5.321 -11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.896 -6.630 -9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.864 -4.917 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.221 -5.546 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.481 -7.275 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.790 -6.216 -12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.145 -6.033 -13.347 1.00 0.00 H new ATOM 267 N TYR A 21 -0.358 -3.291 -9.750 1.00 0.00 N ATOM 268 CA TYR A 21 1.075 -3.175 -9.506 1.00 0.00 C ATOM 269 C TYR A 21 1.724 -4.553 -9.411 1.00 0.00 C ATOM 270 O TYR A 21 1.103 -5.514 -8.956 1.00 0.00 O ATOM 271 CB TYR A 21 1.333 -2.388 -8.221 1.00 0.00 C ATOM 272 CG TYR A 21 1.476 -0.899 -8.441 1.00 0.00 C ATOM 273 CD1 TYR A 21 2.717 -0.332 -8.706 1.00 0.00 C ATOM 274 CD2 TYR A 21 0.371 -0.059 -8.386 1.00 0.00 C ATOM 275 CE1 TYR A 21 2.852 1.028 -8.908 1.00 0.00 C ATOM 276 CE2 TYR A 21 0.496 1.302 -8.587 1.00 0.00 C ATOM 277 CZ TYR A 21 1.739 1.841 -8.847 1.00 0.00 C ATOM 278 OH TYR A 21 1.870 3.196 -9.049 1.00 0.00 O ATOM 0 H TYR A 21 -0.824 -4.009 -9.195 1.00 0.00 H new ATOM 0 HA TYR A 21 1.519 -2.641 -10.346 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.514 -2.567 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.240 -2.766 -7.749 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.590 -0.965 -8.755 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.604 -0.478 -8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.824 1.453 -9.113 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.374 1.940 -8.541 1.00 0.00 H new ATOM 0 HH TYR A 21 0.992 3.624 -8.973 1.00 0.00 H new ATOM 288 N ARG A 22 2.977 -4.640 -9.844 1.00 0.00 N ATOM 289 CA ARG A 22 3.712 -5.899 -9.809 1.00 0.00 C ATOM 290 C ARG A 22 5.198 -5.654 -9.563 1.00 0.00 C ATOM 291 O ARG A 22 5.725 -4.592 -9.893 1.00 0.00 O ATOM 292 CB ARG A 22 3.521 -6.662 -11.121 1.00 0.00 C ATOM 293 CG ARG A 22 2.127 -7.244 -11.289 1.00 0.00 C ATOM 294 CD ARG A 22 1.874 -7.678 -12.725 1.00 0.00 C ATOM 295 NE ARG A 22 2.697 -8.823 -13.104 1.00 0.00 N ATOM 296 CZ ARG A 22 2.911 -9.189 -14.363 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.365 -8.505 -15.358 1.00 0.00 N ATOM 298 NH2 ARG A 22 3.673 -10.243 -14.628 1.00 0.00 N ATOM 0 H ARG A 22 3.505 -3.854 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 22 3.319 -6.498 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.729 -5.992 -11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.251 -7.470 -11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.005 -8.098 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.384 -6.502 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.821 -7.932 -12.847 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.080 -6.845 -13.397 1.00 0.00 H new ATOM 0 HE ARG A 22 3.131 -9.372 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.778 -7.695 -15.158 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.531 -8.789 -16.324 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.095 -10.772 -13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.837 -10.524 -15.595 1.00 0.00 H new ATOM 312 N ILE A 23 5.866 -6.644 -8.980 1.00 0.00 N ATOM 313 CA ILE A 23 7.290 -6.536 -8.689 1.00 0.00 C ATOM 314 C ILE A 23 8.129 -6.981 -9.882 1.00 0.00 C ATOM 315 O ILE A 23 7.695 -7.803 -10.690 1.00 0.00 O ATOM 316 CB ILE A 23 7.679 -7.378 -7.460 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.305 -8.845 -7.680 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.003 -6.835 -6.210 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.176 -9.813 -6.910 1.00 0.00 C ATOM 0 H ILE A 23 5.444 -7.529 -8.700 1.00 0.00 H new ATOM 0 HA ILE A 23 7.490 -5.486 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 23 8.758 -7.315 -7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.265 -8.994 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.374 -9.074 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.288 -7.441 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.315 -5.803 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.921 -6.871 -6.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.854 -10.834 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.215 -9.692 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.088 -9.611 -5.842 1.00 0.00 H new ATOM 331 N LYS A 24 9.336 -6.433 -9.987 1.00 0.00 N ATOM 332 CA LYS A 24 10.239 -6.774 -11.080 1.00 0.00 C ATOM 333 C LYS A 24 11.388 -7.647 -10.583 1.00 0.00 C ATOM 334 O LYS A 24 12.199 -7.214 -9.764 1.00 0.00 O ATOM 335 CB LYS A 24 10.793 -5.503 -11.727 1.00 0.00 C ATOM 336 CG LYS A 24 10.686 -5.495 -13.242 1.00 0.00 C ATOM 337 CD LYS A 24 12.054 -5.585 -13.897 1.00 0.00 C ATOM 338 CE LYS A 24 12.008 -5.129 -15.348 1.00 0.00 C ATOM 339 NZ LYS A 24 12.828 -6.004 -16.231 1.00 0.00 N ATOM 0 H LYS A 24 9.711 -5.751 -9.328 1.00 0.00 H new ATOM 0 HA LYS A 24 9.674 -7.336 -11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.259 -4.640 -11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.839 -5.388 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.069 -6.332 -13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.185 -4.584 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.765 -4.971 -13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.415 -6.612 -13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.975 -5.128 -15.696 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.369 -4.103 -15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.770 -5.660 -17.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.819 -5.985 -15.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.468 -6.979 -16.185 1.00 0.00 H new ATOM 583 N LEU A 41 7.469 -3.297 3.636 1.00 0.00 N ATOM 584 CA LEU A 41 6.178 -3.926 3.892 1.00 0.00 C ATOM 585 C LEU A 41 5.315 -3.926 2.635 1.00 0.00 C ATOM 586 O LEU A 41 4.584 -4.881 2.371 1.00 0.00 O ATOM 587 CB LEU A 41 5.450 -3.200 5.024 1.00 0.00 C ATOM 588 CG LEU A 41 4.188 -3.880 5.556 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.544 -4.918 6.609 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.225 -2.849 6.124 1.00 0.00 C ATOM 0 HA LEU A 41 6.357 -4.960 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.146 -3.071 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.182 -2.203 4.676 1.00 0.00 H new ATOM 0 HG LEU A 41 3.696 -4.388 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.633 -5.391 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.194 -5.674 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.060 -4.433 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.333 -3.351 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.707 -2.311 6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.943 -2.144 5.342 1.00 0.00 H new ATOM 602 N VAL A 42 5.405 -2.849 1.860 1.00 0.00 N ATOM 603 CA VAL A 42 4.634 -2.726 0.629 1.00 0.00 C ATOM 604 C VAL A 42 5.169 -3.661 -0.450 1.00 0.00 C ATOM 605 O VAL A 42 4.403 -4.341 -1.133 1.00 0.00 O ATOM 606 CB VAL A 42 4.654 -1.281 0.096 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.741 -1.145 -1.112 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.253 -0.305 1.191 1.00 0.00 C ATOM 0 H VAL A 42 6.005 -2.049 2.064 1.00 0.00 H new ATOM 0 HA VAL A 42 3.607 -3.003 0.870 1.00 0.00 H new ATOM 0 HB VAL A 42 5.670 -1.041 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.768 -0.117 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.079 -1.817 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.721 -1.403 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.272 0.711 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.247 -0.541 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.952 -0.385 2.024 1.00 0.00 H new ATOM 618 N TYR A 43 6.489 -3.691 -0.598 1.00 0.00 N ATOM 619 CA TYR A 43 7.127 -4.542 -1.595 1.00 0.00 C ATOM 620 C TYR A 43 6.750 -6.005 -1.385 1.00 0.00 C ATOM 621 O TYR A 43 6.528 -6.744 -2.344 1.00 0.00 O ATOM 622 CB TYR A 43 8.647 -4.382 -1.535 1.00 0.00 C ATOM 623 CG TYR A 43 9.375 -5.083 -2.660 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.579 -4.451 -3.881 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.857 -6.376 -2.503 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.243 -5.088 -4.912 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.523 -7.019 -3.528 1.00 0.00 C ATOM 628 CZ TYR A 43 10.713 -6.371 -4.730 1.00 0.00 C ATOM 629 OH TYR A 43 11.375 -7.010 -5.754 1.00 0.00 O ATOM 0 H TYR A 43 7.138 -3.136 -0.040 1.00 0.00 H new ATOM 0 HA TYR A 43 6.774 -4.233 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.893 -3.321 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.007 -4.771 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.213 -3.446 -4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.709 -6.887 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.393 -4.583 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.893 -8.024 -3.389 1.00 0.00 H new ATOM 0 HH TYR A 43 11.641 -7.907 -5.462 1.00 0.00 H new ATOM 639 N GLN A 44 6.679 -6.416 -0.123 1.00 0.00 N ATOM 640 CA GLN A 44 6.329 -7.790 0.215 1.00 0.00 C ATOM 641 C GLN A 44 4.930 -8.134 -0.287 1.00 0.00 C ATOM 642 O GLN A 44 4.699 -9.224 -0.811 1.00 0.00 O ATOM 643 CB GLN A 44 6.408 -8.003 1.727 1.00 0.00 C ATOM 644 CG GLN A 44 7.809 -8.320 2.225 1.00 0.00 C ATOM 645 CD GLN A 44 8.128 -9.801 2.167 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.878 -10.538 3.121 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.683 -10.244 1.046 1.00 0.00 N ATOM 0 H GLN A 44 6.859 -5.817 0.682 1.00 0.00 H new ATOM 0 HA GLN A 44 7.044 -8.451 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.046 -7.107 2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.739 -8.817 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.536 -7.772 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.913 -7.970 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.873 -9.597 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.920 -11.231 0.950 1.00 0.00 H new ATOM 656 N ILE A 45 4.001 -7.199 -0.121 1.00 0.00 N ATOM 657 CA ILE A 45 2.626 -7.403 -0.557 1.00 0.00 C ATOM 658 C ILE A 45 2.544 -7.535 -2.075 1.00 0.00 C ATOM 659 O ILE A 45 1.833 -8.395 -2.596 1.00 0.00 O ATOM 660 CB ILE A 45 1.713 -6.248 -0.103 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.754 -6.106 1.419 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.288 -6.480 -0.581 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.209 -4.786 1.917 1.00 0.00 C ATOM 0 H ILE A 45 4.176 -6.292 0.313 1.00 0.00 H new ATOM 0 HA ILE A 45 2.283 -8.329 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 45 2.077 -5.321 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.182 -6.918 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.784 -6.216 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.345 -5.656 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.274 -6.537 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.088 -7.414 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.269 -4.755 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.796 -3.969 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.169 -4.682 1.608 1.00 0.00 H new ATOM 675 N ILE A 46 3.277 -6.678 -2.777 1.00 0.00 N ATOM 676 CA ILE A 46 3.290 -6.700 -4.235 1.00 0.00 C ATOM 677 C ILE A 46 4.008 -7.939 -4.759 1.00 0.00 C ATOM 678 O ILE A 46 3.670 -8.460 -5.822 1.00 0.00 O ATOM 679 CB ILE A 46 3.969 -5.444 -4.811 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.287 -4.181 -4.282 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.935 -5.474 -6.332 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.030 -2.907 -4.620 1.00 0.00 C ATOM 0 H ILE A 46 3.870 -5.960 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 46 2.250 -6.721 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 46 5.011 -5.433 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.279 -4.124 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.187 -4.258 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.419 -4.580 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.462 -6.358 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.900 -5.506 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.490 -2.052 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.030 -2.943 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.107 -2.807 -5.703 1.00 0.00 H new ATOM 694 N GLU A 47 4.998 -8.406 -4.006 1.00 0.00 N ATOM 695 CA GLU A 47 5.763 -9.585 -4.395 1.00 0.00 C ATOM 696 C GLU A 47 4.913 -10.847 -4.280 1.00 0.00 C ATOM 697 O GLU A 47 5.046 -11.772 -5.081 1.00 0.00 O ATOM 698 CB GLU A 47 7.015 -9.718 -3.525 1.00 0.00 C ATOM 699 CG GLU A 47 7.851 -10.945 -3.846 1.00 0.00 C ATOM 700 CD GLU A 47 7.978 -11.890 -2.667 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.492 -11.458 -1.614 1.00 0.00 O ATOM 702 OE2 GLU A 47 7.563 -13.061 -2.797 1.00 0.00 O ATOM 0 H GLU A 47 5.289 -7.986 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 47 6.064 -9.464 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.630 -8.827 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.717 -9.756 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.402 -11.476 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.845 -10.630 -4.163 1.00 0.00 H new ATOM 709 N ASP A 48 4.042 -10.877 -3.278 1.00 0.00 N ATOM 710 CA ASP A 48 3.170 -12.025 -3.057 1.00 0.00 C ATOM 711 C ASP A 48 2.191 -12.194 -4.215 1.00 0.00 C ATOM 712 O ASP A 48 1.718 -13.298 -4.485 1.00 0.00 O ATOM 713 CB ASP A 48 2.403 -11.864 -1.744 1.00 0.00 C ATOM 714 CG ASP A 48 1.800 -13.169 -1.262 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.481 -14.211 -1.366 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.647 -13.149 -0.782 1.00 0.00 O ATOM 0 H ASP A 48 3.921 -10.120 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 48 3.793 -12.918 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.075 -11.473 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.610 -11.128 -1.878 1.00 0.00 H new ATOM 721 N ALA A 49 1.891 -11.092 -4.895 1.00 0.00 N ATOM 722 CA ALA A 49 0.969 -11.119 -6.024 1.00 0.00 C ATOM 723 C ALA A 49 1.655 -11.645 -7.280 1.00 0.00 C ATOM 724 O ALA A 49 1.018 -12.255 -8.138 1.00 0.00 O ATOM 725 CB ALA A 49 0.400 -9.730 -6.273 1.00 0.00 C ATOM 0 H ALA A 49 2.273 -10.170 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 49 0.151 -11.796 -5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.287 -9.764 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.134 -9.391 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.213 -9.038 -6.494 1.00 0.00 H new ATOM 731 N GLY A 50 2.958 -11.403 -7.383 1.00 0.00 N ATOM 732 CA GLY A 50 3.709 -11.859 -8.539 1.00 0.00 C ATOM 733 C GLY A 50 3.077 -11.427 -9.847 1.00 0.00 C ATOM 734 O GLY A 50 2.890 -10.235 -10.091 1.00 0.00 O ATOM 0 H GLY A 50 3.507 -10.899 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.726 -11.470 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.782 -12.946 -8.516 1.00 0.00 H new ATOM 738 N ASN A 51 2.748 -12.398 -10.693 1.00 0.00 N ATOM 739 CA ASN A 51 2.135 -12.112 -11.985 1.00 0.00 C ATOM 740 C ASN A 51 0.730 -11.543 -11.807 1.00 0.00 C ATOM 741 O ASN A 51 0.323 -10.629 -12.524 1.00 0.00 O ATOM 742 CB ASN A 51 2.079 -13.380 -12.839 1.00 0.00 C ATOM 743 CG ASN A 51 3.414 -14.097 -12.896 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.472 -13.470 -12.830 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.371 -15.419 -13.020 1.00 0.00 N ATOM 0 H ASN A 51 2.896 -13.390 -10.507 1.00 0.00 H new ATOM 0 HA ASN A 51 2.748 -11.367 -12.492 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.324 -14.054 -12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.765 -13.120 -13.850 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.237 -15.956 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.472 -15.897 -13.071 1.00 0.00 H new ATOM 752 N LYS A 52 -0.006 -12.090 -10.846 1.00 0.00 N ATOM 753 CA LYS A 52 -1.364 -11.637 -10.570 1.00 0.00 C ATOM 754 C LYS A 52 -1.387 -10.145 -10.256 1.00 0.00 C ATOM 755 O LYS A 52 -2.365 -9.455 -10.544 1.00 0.00 O ATOM 756 CB LYS A 52 -1.959 -12.424 -9.401 1.00 0.00 C ATOM 757 CG LYS A 52 -1.833 -13.930 -9.555 1.00 0.00 C ATOM 758 CD LYS A 52 -3.195 -14.601 -9.613 1.00 0.00 C ATOM 759 CE LYS A 52 -3.625 -14.865 -11.048 1.00 0.00 C ATOM 760 NZ LYS A 52 -4.012 -13.610 -11.751 1.00 0.00 N ATOM 0 H LYS A 52 0.315 -12.848 -10.245 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.966 -11.812 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.464 -12.119 -8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.013 -12.165 -9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.275 -14.158 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.262 -14.335 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.162 -15.541 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.934 -13.969 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.810 -15.348 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.466 -15.558 -11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.868 -13.779 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.201 -12.864 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.237 -13.309 -12.376 1.00 0.00 H new ATOM 774 N GLY A 53 -0.303 -9.652 -9.666 1.00 0.00 N ATOM 775 CA GLY A 53 -0.219 -8.244 -9.324 1.00 0.00 C ATOM 776 C GLY A 53 -1.220 -7.846 -8.257 1.00 0.00 C ATOM 777 O GLY A 53 -2.215 -8.538 -8.041 1.00 0.00 O ATOM 0 H GLY A 53 0.519 -10.203 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.789 -8.017 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.389 -7.645 -10.219 1.00 0.00 H new ATOM 781 N ILE A 54 -0.956 -6.728 -7.588 1.00 0.00 N ATOM 782 CA ILE A 54 -1.842 -6.240 -6.538 1.00 0.00 C ATOM 783 C ILE A 54 -2.321 -4.824 -6.838 1.00 0.00 C ATOM 784 O ILE A 54 -1.534 -3.961 -7.228 1.00 0.00 O ATOM 785 CB ILE A 54 -1.147 -6.256 -5.164 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.154 -5.939 -4.056 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.004 -5.261 -5.141 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.209 -6.992 -2.972 1.00 0.00 C ATOM 0 H ILE A 54 -0.137 -6.144 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.700 -6.912 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.743 -7.253 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.898 -4.979 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.145 -5.830 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.485 -5.284 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.730 -5.527 -5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.378 -4.258 -5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.943 -6.702 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.495 -7.949 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.229 -7.085 -2.505 1.00 0.00 H new ATOM 800 N TRP A 55 -3.614 -4.591 -6.650 1.00 0.00 N ATOM 801 CA TRP A 55 -4.198 -3.278 -6.899 1.00 0.00 C ATOM 802 C TRP A 55 -3.815 -2.295 -5.798 1.00 0.00 C ATOM 803 O TRP A 55 -3.638 -2.680 -4.643 1.00 0.00 O ATOM 804 CB TRP A 55 -5.721 -3.384 -6.997 1.00 0.00 C ATOM 805 CG TRP A 55 -6.183 -4.288 -8.100 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.324 -5.645 -8.043 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.563 -3.899 -9.424 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.768 -6.123 -9.252 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.924 -5.072 -10.116 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.636 -2.674 -10.093 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.348 -5.053 -11.442 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.057 -2.657 -11.409 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.410 -3.840 -12.072 1.00 0.00 C ATOM 0 H TRP A 55 -4.279 -5.294 -6.326 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.805 -2.907 -7.846 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.115 -3.749 -6.048 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.138 -2.389 -7.153 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.117 -6.253 -7.175 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.952 -7.102 -9.471 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.368 -1.757 -9.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.619 -5.964 -11.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.115 -1.716 -11.936 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.737 -3.793 -13.100 1.00 0.00 H new ATOM 824 N SER A 56 -3.690 -1.023 -6.164 1.00 0.00 N ATOM 825 CA SER A 56 -3.324 0.015 -5.207 1.00 0.00 C ATOM 826 C SER A 56 -4.259 -0.004 -4.001 1.00 0.00 C ATOM 827 O SER A 56 -3.871 0.373 -2.895 1.00 0.00 O ATOM 828 CB SER A 56 -3.364 1.391 -5.875 1.00 0.00 C ATOM 829 OG SER A 56 -3.633 2.410 -4.928 1.00 0.00 O ATOM 0 H SER A 56 -3.837 -0.687 -7.116 1.00 0.00 H new ATOM 0 HA SER A 56 -2.309 -0.185 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.411 1.588 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.130 1.400 -6.651 1.00 0.00 H new ATOM 0 HG SER A 56 -3.652 3.280 -5.380 1.00 0.00 H new ATOM 835 N ARG A 57 -5.492 -0.447 -4.223 1.00 0.00 N ATOM 836 CA ARG A 57 -6.483 -0.515 -3.156 1.00 0.00 C ATOM 837 C ARG A 57 -6.237 -1.728 -2.262 1.00 0.00 C ATOM 838 O ARG A 57 -6.506 -1.691 -1.061 1.00 0.00 O ATOM 839 CB ARG A 57 -7.893 -0.580 -3.744 1.00 0.00 C ATOM 840 CG ARG A 57 -8.994 -0.494 -2.699 1.00 0.00 C ATOM 841 CD ARG A 57 -10.370 -0.437 -3.343 1.00 0.00 C ATOM 842 NE ARG A 57 -11.441 -0.570 -2.358 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.695 -0.877 -2.673 1.00 0.00 C ATOM 844 NH1 ARG A 57 -13.033 -1.081 -3.938 1.00 0.00 N ATOM 845 NH2 ARG A 57 -13.613 -0.980 -1.720 1.00 0.00 N ATOM 0 H ARG A 57 -5.829 -0.764 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.390 0.387 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.017 0.234 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.003 -1.511 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.937 -1.358 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.843 0.392 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.482 0.507 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.457 -1.232 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.214 -0.419 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.330 -1.003 -4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.996 -1.317 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.356 -0.823 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.575 -1.216 -1.962 1.00 0.00 H new ATOM 859 N ASP A 58 -5.725 -2.800 -2.856 1.00 0.00 N ATOM 860 CA ASP A 58 -5.443 -4.023 -2.114 1.00 0.00 C ATOM 861 C ASP A 58 -4.215 -3.849 -1.226 1.00 0.00 C ATOM 862 O ASP A 58 -4.296 -3.978 -0.004 1.00 0.00 O ATOM 863 CB ASP A 58 -5.229 -5.192 -3.078 1.00 0.00 C ATOM 864 CG ASP A 58 -6.524 -5.897 -3.429 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.203 -5.451 -4.377 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.859 -6.894 -2.755 1.00 0.00 O ATOM 0 H ASP A 58 -5.497 -2.847 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.301 -4.239 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.759 -4.825 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.539 -5.907 -2.630 1.00 0.00 H new ATOM 871 N VAL A 59 -3.077 -3.556 -1.849 1.00 0.00 N ATOM 872 CA VAL A 59 -1.832 -3.364 -1.115 1.00 0.00 C ATOM 873 C VAL A 59 -2.008 -2.352 0.012 1.00 0.00 C ATOM 874 O VAL A 59 -1.331 -2.425 1.037 1.00 0.00 O ATOM 875 CB VAL A 59 -0.700 -2.888 -2.046 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.108 -1.616 -2.775 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.582 -2.672 -1.257 1.00 0.00 C ATOM 0 H VAL A 59 -2.992 -3.447 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.562 -4.331 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.515 -3.662 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.296 -1.295 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.999 -1.809 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.321 -0.832 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.371 -2.336 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.414 -1.917 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.881 -3.608 -0.786 1.00 0.00 H new ATOM 887 N ARG A 60 -2.923 -1.408 -0.186 1.00 0.00 N ATOM 888 CA ARG A 60 -3.188 -0.380 0.814 1.00 0.00 C ATOM 889 C ARG A 60 -3.949 -0.961 2.002 1.00 0.00 C ATOM 890 O ARG A 60 -3.679 -0.616 3.153 1.00 0.00 O ATOM 891 CB ARG A 60 -3.987 0.768 0.195 1.00 0.00 C ATOM 892 CG ARG A 60 -4.200 1.940 1.140 1.00 0.00 C ATOM 893 CD ARG A 60 -5.461 2.715 0.791 1.00 0.00 C ATOM 894 NE ARG A 60 -6.626 2.221 1.521 1.00 0.00 N ATOM 895 CZ ARG A 60 -6.844 2.465 2.808 1.00 0.00 C ATOM 896 NH1 ARG A 60 -5.981 3.192 3.504 1.00 0.00 N ATOM 897 NH2 ARG A 60 -7.927 1.981 3.402 1.00 0.00 N ATOM 0 H ARG A 60 -3.493 -1.334 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.231 0.002 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.469 1.121 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.958 0.391 -0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.268 1.575 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.338 2.606 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.312 3.771 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.647 2.642 -0.281 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.309 1.658 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.147 3.566 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.151 3.378 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.593 1.421 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.094 2.169 4.391 1.00 0.00 H new ATOM 911 N TYR A 61 -4.899 -1.843 1.715 1.00 0.00 N ATOM 912 CA TYR A 61 -5.701 -2.470 2.760 1.00 0.00 C ATOM 913 C TYR A 61 -4.853 -3.419 3.602 1.00 0.00 C ATOM 914 O TYR A 61 -4.872 -3.363 4.831 1.00 0.00 O ATOM 915 CB TYR A 61 -6.877 -3.229 2.143 1.00 0.00 C ATOM 916 CG TYR A 61 -8.148 -3.141 2.957 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.690 -1.909 3.303 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.808 -4.288 3.379 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.851 -1.823 4.047 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.970 -4.212 4.122 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.487 -2.977 4.453 1.00 0.00 C ATOM 922 OH TYR A 61 -11.644 -2.897 5.194 1.00 0.00 O ATOM 0 H TYR A 61 -5.133 -2.140 0.768 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.086 -1.683 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.067 -2.837 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.601 -4.277 2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.195 -1.003 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.405 -5.257 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.258 -0.858 4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.471 -5.114 4.442 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.965 -3.800 5.397 1.00 0.00 H new ATOM 932 N LYS A 62 -4.109 -4.290 2.929 1.00 0.00 N ATOM 933 CA LYS A 62 -3.251 -5.252 3.612 1.00 0.00 C ATOM 934 C LYS A 62 -2.148 -4.541 4.389 1.00 0.00 C ATOM 935 O LYS A 62 -1.708 -5.016 5.436 1.00 0.00 O ATOM 936 CB LYS A 62 -2.635 -6.224 2.603 1.00 0.00 C ATOM 937 CG LYS A 62 -3.660 -6.914 1.720 1.00 0.00 C ATOM 938 CD LYS A 62 -2.997 -7.649 0.567 1.00 0.00 C ATOM 939 CE LYS A 62 -3.209 -9.152 0.669 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.539 -9.562 0.137 1.00 0.00 N ATOM 0 H LYS A 62 -4.083 -4.350 1.911 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.865 -5.812 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.931 -5.682 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.064 -6.980 3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.240 -7.618 2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.360 -6.176 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.402 -7.287 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.929 -7.431 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.423 -9.668 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.124 -9.461 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.645 -10.593 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.290 -9.090 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.611 -9.290 -0.864 1.00 0.00 H new ATOM 954 N SER A 63 -1.705 -3.401 3.870 1.00 0.00 N ATOM 955 CA SER A 63 -0.651 -2.626 4.514 1.00 0.00 C ATOM 956 C SER A 63 -1.222 -1.752 5.627 1.00 0.00 C ATOM 957 O SER A 63 -0.511 -1.366 6.554 1.00 0.00 O ATOM 958 CB SER A 63 0.071 -1.754 3.485 1.00 0.00 C ATOM 959 OG SER A 63 1.256 -1.199 4.029 1.00 0.00 O ATOM 0 H SER A 63 -2.060 -2.993 3.005 1.00 0.00 H new ATOM 0 HA SER A 63 0.062 -3.323 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.315 -2.350 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.591 -0.954 3.154 1.00 0.00 H new ATOM 0 HG SER A 63 1.780 -0.782 3.314 1.00 0.00 H new ATOM 965 N ASN A 64 -2.511 -1.444 5.527 1.00 0.00 N ATOM 966 CA ASN A 64 -3.178 -0.616 6.524 1.00 0.00 C ATOM 967 C ASN A 64 -2.579 0.787 6.555 1.00 0.00 C ATOM 968 O ASN A 64 -2.558 1.442 7.598 1.00 0.00 O ATOM 969 CB ASN A 64 -3.070 -1.260 7.908 1.00 0.00 C ATOM 970 CG ASN A 64 -4.282 -0.976 8.774 1.00 0.00 C ATOM 971 OD1 ASN A 64 -5.254 -1.731 8.768 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.229 0.118 9.525 1.00 0.00 N ATOM 0 H ASN A 64 -3.114 -1.756 4.766 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.230 -0.537 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.951 -2.338 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.175 -0.891 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.015 0.361 10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.403 0.715 9.498 1.00 0.00 H new ATOM 979 N LEU A 65 -2.093 1.242 5.406 1.00 0.00 N ATOM 980 CA LEU A 65 -1.493 2.568 5.300 1.00 0.00 C ATOM 981 C LEU A 65 -2.385 3.506 4.493 1.00 0.00 C ATOM 982 O LEU A 65 -3.032 3.107 3.524 1.00 0.00 O ATOM 983 CB LEU A 65 -0.112 2.474 4.651 1.00 0.00 C ATOM 984 CG LEU A 65 0.909 1.589 5.368 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.258 1.657 4.670 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.039 2.001 6.827 1.00 0.00 C ATOM 0 H LEU A 65 -2.102 0.713 4.534 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.387 2.974 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.235 2.101 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.300 3.480 4.574 1.00 0.00 H new ATOM 0 HG LEU A 65 0.557 0.558 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.971 1.021 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.153 1.313 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.618 2.686 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.769 1.361 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.368 3.039 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.073 1.899 7.321 1.00 0.00 H new ATOM 998 N PRO A 66 -2.420 4.784 4.898 1.00 0.00 N ATOM 999 CA PRO A 66 -3.226 5.807 4.225 1.00 0.00 C ATOM 1000 C PRO A 66 -2.682 6.157 2.844 1.00 0.00 C ATOM 1001 O PRO A 66 -1.490 6.000 2.576 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.124 7.013 5.161 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.841 6.817 5.893 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.674 5.330 6.045 1.00 0.00 C ATOM 0 HA PRO A 66 -4.248 5.471 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.122 7.949 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.969 7.054 5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.007 7.249 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.868 7.308 6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.624 5.039 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.078 4.975 6.993 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.563 6.633 1.970 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.170 7.006 0.616 1.00 0.00 C ATOM 1014 C LEU A 67 -1.987 7.969 0.637 1.00 0.00 C ATOM 1015 O LEU A 67 -1.075 7.868 -0.184 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.350 7.646 -0.120 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.007 8.838 0.575 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.552 10.143 -0.059 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.523 8.717 0.522 1.00 0.00 C ATOM 0 H LEU A 67 -4.553 6.769 2.175 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.868 6.101 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.008 7.968 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.110 6.881 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.699 8.839 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.030 10.980 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.470 10.234 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.830 10.152 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.974 9.574 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.850 8.690 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.833 7.800 1.024 1.00 0.00 H new ATOM 1031 N THR A 68 -2.007 8.902 1.584 1.00 0.00 N ATOM 1032 CA THR A 68 -0.937 9.883 1.713 1.00 0.00 C ATOM 1033 C THR A 68 0.420 9.201 1.845 1.00 0.00 C ATOM 1034 O THR A 68 1.450 9.776 1.495 1.00 0.00 O ATOM 1035 CB THR A 68 -1.159 10.799 2.931 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.026 11.656 3.112 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.387 9.978 4.192 1.00 0.00 C ATOM 0 H THR A 68 -2.753 8.999 2.273 1.00 0.00 H new ATOM 0 HA THR A 68 -0.951 10.487 0.806 1.00 0.00 H new ATOM 0 HB THR A 68 -2.046 11.404 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.175 12.236 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.541 10.647 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.267 9.348 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.516 9.350 4.380 1.00 0.00 H new ATOM 1045 N GLU A 69 0.413 7.971 2.352 1.00 0.00 N ATOM 1046 CA GLU A 69 1.645 7.212 2.530 1.00 0.00 C ATOM 1047 C GLU A 69 1.927 6.340 1.309 1.00 0.00 C ATOM 1048 O GLU A 69 2.961 6.485 0.656 1.00 0.00 O ATOM 1049 CB GLU A 69 1.556 6.340 3.783 1.00 0.00 C ATOM 1050 CG GLU A 69 1.629 7.128 5.080 1.00 0.00 C ATOM 1051 CD GLU A 69 3.050 7.288 5.586 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.956 7.495 4.752 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.255 7.207 6.815 1.00 0.00 O ATOM 0 H GLU A 69 -0.431 7.480 2.646 1.00 0.00 H new ATOM 0 HA GLU A 69 2.465 7.921 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.621 5.780 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.365 5.610 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.188 8.113 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.031 6.626 5.840 1.00 0.00 H new ATOM 1060 N ILE A 70 1.002 5.436 1.009 1.00 0.00 N ATOM 1061 CA ILE A 70 1.150 4.541 -0.133 1.00 0.00 C ATOM 1062 C ILE A 70 1.467 5.321 -1.404 1.00 0.00 C ATOM 1063 O ILE A 70 2.162 4.826 -2.291 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.121 3.703 -0.361 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.433 2.861 0.879 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.042 2.814 -1.584 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.625 1.825 1.186 1.00 0.00 C ATOM 0 H ILE A 70 0.142 5.303 1.540 1.00 0.00 H new ATOM 0 HA ILE A 70 1.979 3.871 0.096 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.957 4.380 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.544 3.522 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.391 2.360 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.865 2.228 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.221 3.433 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.888 2.142 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.339 1.266 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.720 1.141 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.580 2.321 1.360 1.00 0.00 H new ATOM 1079 N ASN A 71 0.952 6.543 -1.486 1.00 0.00 N ATOM 1080 CA ASN A 71 1.181 7.393 -2.649 1.00 0.00 C ATOM 1081 C ASN A 71 2.674 7.610 -2.879 1.00 0.00 C ATOM 1082 O ASN A 71 3.154 7.548 -4.011 1.00 0.00 O ATOM 1083 CB ASN A 71 0.481 8.741 -2.468 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.968 8.705 -2.916 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.482 7.658 -3.309 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.633 9.853 -2.859 1.00 0.00 N ATOM 0 H ASN A 71 0.373 6.967 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 71 0.766 6.890 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.527 9.033 -1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.015 9.504 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.610 9.891 -3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.166 10.697 -2.526 1.00 0.00 H new ATOM 1093 N LYS A 72 3.403 7.864 -1.798 1.00 0.00 N ATOM 1094 CA LYS A 72 4.841 8.088 -1.880 1.00 0.00 C ATOM 1095 C LYS A 72 5.593 6.765 -1.984 1.00 0.00 C ATOM 1096 O LYS A 72 6.613 6.672 -2.668 1.00 0.00 O ATOM 1097 CB LYS A 72 5.327 8.868 -0.656 1.00 0.00 C ATOM 1098 CG LYS A 72 6.839 8.991 -0.574 1.00 0.00 C ATOM 1099 CD LYS A 72 7.273 9.673 0.712 1.00 0.00 C ATOM 1100 CE LYS A 72 7.915 8.688 1.677 1.00 0.00 C ATOM 1101 NZ LYS A 72 9.220 8.184 1.168 1.00 0.00 N ATOM 0 H LYS A 72 3.021 7.920 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 72 5.042 8.671 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.890 9.866 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.961 8.377 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.289 8.000 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.206 9.558 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.979 10.471 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.410 10.139 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.064 9.171 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.240 7.848 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.144 7.166 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.472 8.692 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.956 8.341 1.885 1.00 0.00 H new ATOM 1115 N ILE A 73 5.082 5.744 -1.304 1.00 0.00 N ATOM 1116 CA ILE A 73 5.704 4.426 -1.323 1.00 0.00 C ATOM 1117 C ILE A 73 5.667 3.821 -2.722 1.00 0.00 C ATOM 1118 O ILE A 73 6.707 3.504 -3.302 1.00 0.00 O ATOM 1119 CB ILE A 73 5.013 3.463 -0.341 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.057 4.030 1.080 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.672 2.092 -0.390 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.095 3.353 2.031 1.00 0.00 C ATOM 0 H ILE A 73 4.239 5.804 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 73 6.741 4.562 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 73 3.970 3.354 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.070 3.932 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.831 5.096 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.172 1.423 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.594 1.686 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.723 2.184 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.181 3.806 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.076 3.473 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.334 2.292 2.096 1.00 0.00 H new ATOM 1134 N LEU A 74 4.463 3.664 -3.261 1.00 0.00 N ATOM 1135 CA LEU A 74 4.289 3.098 -4.594 1.00 0.00 C ATOM 1136 C LEU A 74 5.155 3.831 -5.614 1.00 0.00 C ATOM 1137 O LEU A 74 5.647 3.232 -6.571 1.00 0.00 O ATOM 1138 CB LEU A 74 2.819 3.170 -5.012 1.00 0.00 C ATOM 1139 CG LEU A 74 1.921 2.042 -4.503 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.475 2.287 -4.907 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.403 0.698 -5.029 1.00 0.00 C ATOM 0 H LEU A 74 3.593 3.921 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 74 4.601 2.054 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.409 4.118 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.772 3.182 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 74 1.975 2.024 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.149 1.474 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.133 3.230 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.404 2.332 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.752 -0.093 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.380 0.704 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.423 0.519 -4.689 1.00 0.00 H new ATOM 1153 N LYS A 75 5.341 5.129 -5.401 1.00 0.00 N ATOM 1154 CA LYS A 75 6.151 5.944 -6.299 1.00 0.00 C ATOM 1155 C LYS A 75 7.637 5.761 -6.007 1.00 0.00 C ATOM 1156 O LYS A 75 8.473 5.870 -6.903 1.00 0.00 O ATOM 1157 CB LYS A 75 5.772 7.420 -6.163 1.00 0.00 C ATOM 1158 CG LYS A 75 5.624 8.135 -7.495 1.00 0.00 C ATOM 1159 CD LYS A 75 4.189 8.091 -7.995 1.00 0.00 C ATOM 1160 CE LYS A 75 3.771 9.420 -8.606 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.295 9.512 -8.775 1.00 0.00 N ATOM 0 H LYS A 75 4.941 5.640 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 75 5.956 5.618 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.834 7.496 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.532 7.928 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.942 9.172 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.281 7.673 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.085 7.299 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.522 7.843 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.115 10.236 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.256 9.543 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.050 10.432 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.969 8.748 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.833 9.420 -7.848 1.00 0.00 H new ATOM 1175 N ASN A 76 7.958 5.480 -4.749 1.00 0.00 N ATOM 1176 CA ASN A 76 9.344 5.281 -4.340 1.00 0.00 C ATOM 1177 C ASN A 76 9.953 4.076 -5.050 1.00 0.00 C ATOM 1178 O ASN A 76 10.938 4.203 -5.778 1.00 0.00 O ATOM 1179 CB ASN A 76 9.428 5.090 -2.824 1.00 0.00 C ATOM 1180 CG ASN A 76 10.513 5.941 -2.193 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.695 5.791 -2.504 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.115 6.842 -1.302 1.00 0.00 N ATOM 0 H ASN A 76 7.278 5.385 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 76 9.910 6.169 -4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.467 5.340 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.619 4.040 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.800 7.444 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.125 6.932 -1.075 1.00 0.00 H new ATOM 1189 N LEU A 77 9.360 2.907 -4.833 1.00 0.00 N ATOM 1190 CA LEU A 77 9.843 1.677 -5.452 1.00 0.00 C ATOM 1191 C LEU A 77 9.989 1.849 -6.961 1.00 0.00 C ATOM 1192 O LEU A 77 10.924 1.326 -7.566 1.00 0.00 O ATOM 1193 CB LEU A 77 8.888 0.521 -5.149 1.00 0.00 C ATOM 1194 CG LEU A 77 9.079 -0.170 -3.798 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.853 -0.997 -3.443 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.326 -1.042 -3.817 1.00 0.00 C ATOM 0 H LEU A 77 8.544 2.785 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 77 10.823 1.449 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.866 0.897 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.993 -0.227 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 77 9.208 0.597 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.007 -1.481 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.980 -0.347 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.692 -1.756 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.446 -1.526 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.227 -1.802 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.199 -0.424 -4.025 1.00 0.00 H new ATOM 1208 N GLU A 78 9.059 2.586 -7.560 1.00 0.00 N ATOM 1209 CA GLU A 78 9.086 2.827 -8.998 1.00 0.00 C ATOM 1210 C GLU A 78 10.407 3.467 -9.418 1.00 0.00 C ATOM 1211 O GLU A 78 11.123 2.938 -10.267 1.00 0.00 O ATOM 1212 CB GLU A 78 7.918 3.726 -9.409 1.00 0.00 C ATOM 1213 CG GLU A 78 7.440 3.491 -10.832 1.00 0.00 C ATOM 1214 CD GLU A 78 7.257 4.781 -11.607 1.00 0.00 C ATOM 1215 OE1 GLU A 78 6.707 5.744 -11.033 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.663 4.828 -12.787 1.00 0.00 O ATOM 0 H GLU A 78 8.278 3.026 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 78 8.991 1.866 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.086 3.563 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.218 4.768 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.158 2.858 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.495 2.948 -10.809 1.00 0.00 H new ATOM 1223 N SER A 79 10.721 4.610 -8.816 1.00 0.00 N ATOM 1224 CA SER A 79 11.953 5.325 -9.130 1.00 0.00 C ATOM 1225 C SER A 79 13.170 4.432 -8.910 1.00 0.00 C ATOM 1226 O SER A 79 14.151 4.506 -9.651 1.00 0.00 O ATOM 1227 CB SER A 79 12.069 6.585 -8.271 1.00 0.00 C ATOM 1228 OG SER A 79 12.728 7.623 -8.974 1.00 0.00 O ATOM 0 H SER A 79 10.140 5.060 -8.109 1.00 0.00 H new ATOM 0 HA SER A 79 11.920 5.612 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.075 6.918 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.617 6.356 -7.357 1.00 0.00 H new ATOM 0 HG SER A 79 12.788 8.418 -8.404 1.00 0.00 H new ATOM 1234 N LYS A 80 13.100 3.588 -7.887 1.00 0.00 N ATOM 1235 CA LYS A 80 14.194 2.679 -7.568 1.00 0.00 C ATOM 1236 C LYS A 80 14.351 1.615 -8.650 1.00 0.00 C ATOM 1237 O LYS A 80 15.353 0.900 -8.693 1.00 0.00 O ATOM 1238 CB LYS A 80 13.951 2.011 -6.213 1.00 0.00 C ATOM 1239 CG LYS A 80 13.531 2.982 -5.123 1.00 0.00 C ATOM 1240 CD LYS A 80 14.395 2.834 -3.881 1.00 0.00 C ATOM 1241 CE LYS A 80 13.573 2.983 -2.610 1.00 0.00 C ATOM 1242 NZ LYS A 80 12.731 1.783 -2.350 1.00 0.00 N ATOM 0 H LYS A 80 12.296 3.514 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 80 15.114 3.261 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.180 1.249 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.861 1.499 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.602 4.003 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.487 2.809 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.881 1.859 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.185 3.584 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.240 3.149 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.935 3.863 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.893 2.060 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.430 1.368 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.281 1.082 -1.814 1.00 0.00 H new ATOM 1256 N LYS A 81 13.355 1.516 -9.524 1.00 0.00 N ATOM 1257 CA LYS A 81 13.383 0.541 -10.609 1.00 0.00 C ATOM 1258 C LYS A 81 13.382 -0.882 -10.061 1.00 0.00 C ATOM 1259 O LYS A 81 13.992 -1.782 -10.641 1.00 0.00 O ATOM 1260 CB LYS A 81 14.616 0.760 -11.487 1.00 0.00 C ATOM 1261 CG LYS A 81 14.452 0.243 -12.906 1.00 0.00 C ATOM 1262 CD LYS A 81 15.498 0.830 -13.838 1.00 0.00 C ATOM 1263 CE LYS A 81 15.003 0.873 -15.276 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.046 0.414 -16.235 1.00 0.00 N ATOM 0 H LYS A 81 12.518 2.099 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 81 12.486 0.680 -11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.842 1.826 -11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.472 0.267 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.530 -0.844 -12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.456 0.492 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.754 1.837 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.410 0.235 -13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.118 0.245 -15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.702 1.890 -15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.670 0.458 -17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.882 1.029 -16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.315 -0.566 -16.012 1.00 0.00 H new ATOM 1278 N LEU A 82 12.692 -1.081 -8.943 1.00 0.00 N ATOM 1279 CA LEU A 82 12.611 -2.396 -8.318 1.00 0.00 C ATOM 1280 C LEU A 82 11.303 -3.092 -8.682 1.00 0.00 C ATOM 1281 O LEU A 82 11.223 -4.321 -8.686 1.00 0.00 O ATOM 1282 CB LEU A 82 12.728 -2.269 -6.798 1.00 0.00 C ATOM 1283 CG LEU A 82 14.130 -1.995 -6.254 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.097 -1.851 -4.740 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.088 -3.104 -6.665 1.00 0.00 C ATOM 0 H LEU A 82 12.181 -0.348 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 82 13.439 -2.999 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.069 -1.466 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.358 -3.190 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 82 14.487 -1.057 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.104 -1.656 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.444 -1.022 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.719 -2.772 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.081 -2.892 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.735 -4.056 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.135 -3.159 -7.753 1.00 0.00 H new ATOM 1297 N ILE A 83 10.282 -2.299 -8.989 1.00 0.00 N ATOM 1298 CA ILE A 83 8.980 -2.839 -9.357 1.00 0.00 C ATOM 1299 C ILE A 83 8.543 -2.333 -10.728 1.00 0.00 C ATOM 1300 O ILE A 83 9.212 -1.497 -11.336 1.00 0.00 O ATOM 1301 CB ILE A 83 7.903 -2.469 -8.319 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.771 -0.949 -8.209 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.241 -3.077 -6.966 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.697 -0.505 -7.241 1.00 0.00 C ATOM 0 H ILE A 83 10.332 -1.280 -8.990 1.00 0.00 H new ATOM 0 HA ILE A 83 9.086 -3.923 -9.389 1.00 0.00 H new ATOM 0 HB ILE A 83 6.946 -2.875 -8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.727 -0.531 -7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.552 -0.539 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.471 -2.807 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.289 -4.162 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.205 -2.698 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.659 0.584 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.732 -0.893 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.925 -0.885 -6.245 1.00 0.00 H new ATOM 1316 N LYS A 84 7.415 -2.845 -11.209 1.00 0.00 N ATOM 1317 CA LYS A 84 6.886 -2.445 -12.507 1.00 0.00 C ATOM 1318 C LYS A 84 5.376 -2.239 -12.439 1.00 0.00 C ATOM 1319 O LYS A 84 4.628 -3.165 -12.125 1.00 0.00 O ATOM 1320 CB LYS A 84 7.220 -3.499 -13.565 1.00 0.00 C ATOM 1321 CG LYS A 84 6.683 -4.882 -13.237 1.00 0.00 C ATOM 1322 CD LYS A 84 7.354 -5.954 -14.078 1.00 0.00 C ATOM 1323 CE LYS A 84 6.460 -6.403 -15.225 1.00 0.00 C ATOM 1324 NZ LYS A 84 7.213 -7.195 -16.237 1.00 0.00 N ATOM 0 H LYS A 84 6.850 -3.538 -10.719 1.00 0.00 H new ATOM 0 HA LYS A 84 7.352 -1.500 -12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.815 -3.179 -14.525 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.302 -3.556 -13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.843 -5.094 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.607 -4.905 -13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.294 -5.571 -14.476 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.600 -6.810 -13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.639 -7.002 -14.832 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.017 -5.530 -15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.570 -7.482 -17.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.981 -6.615 -16.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.615 -8.042 -15.786 1.00 0.00 H new ATOM 1338 N ALA A 85 4.935 -1.022 -12.737 1.00 0.00 N ATOM 1339 CA ALA A 85 3.514 -0.696 -12.712 1.00 0.00 C ATOM 1340 C ALA A 85 2.804 -1.247 -13.944 1.00 0.00 C ATOM 1341 O ALA A 85 3.354 -1.241 -15.045 1.00 0.00 O ATOM 1342 CB ALA A 85 3.319 0.809 -12.617 1.00 0.00 C ATOM 0 H ALA A 85 5.541 -0.245 -12.999 1.00 0.00 H new ATOM 0 HA ALA A 85 3.074 -1.164 -11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.253 1.037 -12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.785 1.179 -11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.779 1.291 -13.480 1.00 0.00 H new ATOM 1348 N VAL A 86 1.578 -1.725 -13.751 1.00 0.00 N ATOM 1349 CA VAL A 86 0.792 -2.279 -14.846 1.00 0.00 C ATOM 1350 C VAL A 86 -0.610 -1.681 -14.875 1.00 0.00 C ATOM 1351 O VAL A 86 -1.394 -1.863 -13.943 1.00 0.00 O ATOM 1352 CB VAL A 86 0.682 -3.812 -14.738 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.989 -4.472 -15.152 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.293 -4.220 -13.325 1.00 0.00 C ATOM 0 H VAL A 86 1.108 -1.739 -12.846 1.00 0.00 H new ATOM 0 HA VAL A 86 1.312 -2.023 -15.769 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.100 -4.151 -15.418 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.892 -5.555 -15.069 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.220 -4.206 -16.184 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.792 -4.129 -14.500 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.220 -5.306 -13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.050 -3.869 -12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.670 -3.777 -13.071 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.920 -0.966 -15.951 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.228 -0.340 -16.104 1.00 0.00 C ATOM 1366 C LYS A 87 -3.240 -1.329 -16.675 1.00 0.00 C ATOM 1367 O LYS A 87 -2.935 -2.076 -17.604 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.127 0.886 -17.014 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.752 0.551 -18.447 1.00 0.00 C ATOM 1370 CD LYS A 87 -0.541 1.345 -18.907 1.00 0.00 C ATOM 1371 CE LYS A 87 0.049 0.770 -20.185 1.00 0.00 C ATOM 1372 NZ LYS A 87 0.688 -0.556 -19.954 1.00 0.00 N ATOM 0 H LYS A 87 -0.282 -0.805 -16.731 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.570 -0.025 -15.118 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.083 1.410 -17.011 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.386 1.572 -16.604 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.542 -0.515 -18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.596 0.761 -19.104 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.827 2.384 -19.072 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.216 1.344 -18.123 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.736 0.669 -20.934 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.787 1.463 -20.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.317 -0.782 -20.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.242 -0.526 -19.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.048 -1.287 -19.875 1.00 0.00 H new