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= -0.138 X(o=-0.14,f=-0.073) USER MOD Single : A 51 ASN : amide:sc= -0.0931 K(o=-0.093,f=-0.59) 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 120:sc= -1 USER MOD Single : A 64 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.0084) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.915 K(o=-0.92,f=-2.7!) 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= -0.324 K(o=-0.32,f=-2.9!) 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 -5.600 0.904 -9.982 1.00 0.00 N ATOM 230 CA LEU A 19 -4.487 0.489 -10.829 1.00 0.00 C ATOM 231 C LEU A 19 -3.825 -0.771 -10.280 1.00 0.00 C ATOM 232 O LEU A 19 -3.904 -1.056 -9.084 1.00 0.00 O ATOM 233 CB LEU A 19 -3.456 1.614 -10.938 1.00 0.00 C ATOM 234 CG LEU A 19 -3.483 2.426 -12.234 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.211 3.894 -11.949 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.472 1.876 -13.229 1.00 0.00 C ATOM 0 HA LEU A 19 -4.881 0.268 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.603 2.297 -10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.462 1.181 -10.825 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.477 2.341 -12.673 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.234 4.456 -12.883 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.974 4.281 -11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.230 3.999 -11.486 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.505 2.466 -14.145 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.472 1.930 -12.799 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.714 0.838 -13.457 1.00 0.00 H new ATOM 248 N LEU A 20 -3.171 -1.521 -11.160 1.00 0.00 N ATOM 249 CA LEU A 20 -2.493 -2.750 -10.763 1.00 0.00 C ATOM 250 C LEU A 20 -0.993 -2.519 -10.609 1.00 0.00 C ATOM 251 O LEU A 20 -0.417 -1.652 -11.268 1.00 0.00 O ATOM 252 CB LEU A 20 -2.747 -3.852 -11.793 1.00 0.00 C ATOM 253 CG LEU A 20 -2.407 -5.275 -11.352 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.155 -5.632 -10.077 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.731 -6.269 -12.458 1.00 0.00 C ATOM 0 H LEU A 20 -3.096 -1.300 -12.153 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.895 -3.062 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.800 -3.822 -12.075 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.170 -3.623 -12.689 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.337 -5.325 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.900 -6.649 -9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.873 -4.939 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.228 -5.564 -10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.482 -7.277 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.794 -6.217 -12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.149 -6.026 -13.347 1.00 0.00 H new ATOM 267 N TYR A 21 -0.366 -3.300 -9.737 1.00 0.00 N ATOM 268 CA TYR A 21 1.067 -3.180 -9.497 1.00 0.00 C ATOM 269 C TYR A 21 1.726 -4.555 -9.437 1.00 0.00 C ATOM 270 O TYR A 21 1.066 -5.562 -9.182 1.00 0.00 O ATOM 271 CB TYR A 21 1.325 -2.422 -8.193 1.00 0.00 C ATOM 272 CG TYR A 21 1.466 -0.928 -8.380 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.356 -0.094 -8.326 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.709 -0.351 -8.611 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.480 1.271 -8.496 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.842 1.013 -8.781 1.00 0.00 C ATOM 277 CZ TYR A 21 1.725 1.820 -8.723 1.00 0.00 C ATOM 278 OH TYR A 21 1.853 3.180 -8.893 1.00 0.00 O ATOM 0 H TYR A 21 -0.827 -4.023 -9.185 1.00 0.00 H new ATOM 0 HA TYR A 21 1.503 -2.623 -10.326 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.506 -2.618 -7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.233 -2.809 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.620 -0.520 -8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.586 -0.980 -8.658 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.393 1.905 -8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.816 1.446 -8.958 1.00 0.00 H new ATOM 0 HH TYR A 21 2.795 3.404 -9.042 1.00 0.00 H new ATOM 288 N ARG A 22 3.034 -4.588 -9.674 1.00 0.00 N ATOM 289 CA ARG A 22 3.783 -5.838 -9.649 1.00 0.00 C ATOM 290 C ARG A 22 5.265 -5.578 -9.395 1.00 0.00 C ATOM 291 O ARG A 22 5.771 -4.490 -9.673 1.00 0.00 O ATOM 292 CB ARG A 22 3.606 -6.591 -10.969 1.00 0.00 C ATOM 293 CG ARG A 22 2.467 -7.598 -10.947 1.00 0.00 C ATOM 294 CD ARG A 22 2.444 -8.440 -12.213 1.00 0.00 C ATOM 295 NE ARG A 22 1.323 -8.091 -13.082 1.00 0.00 N ATOM 296 CZ ARG A 22 1.234 -8.467 -14.353 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.194 -9.200 -14.900 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.183 -8.109 -15.080 1.00 0.00 N ATOM 0 H ARG A 22 3.596 -3.763 -9.885 1.00 0.00 H new ATOM 0 HA ARG A 22 3.393 -6.449 -8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.428 -5.871 -11.767 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.534 -7.110 -11.209 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.571 -8.248 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.518 -7.073 -10.840 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.379 -8.304 -12.756 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.381 -9.495 -11.946 1.00 0.00 H new ATOM 0 HE ARG A 22 0.567 -7.528 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.004 -9.477 -14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.123 -9.487 -15.876 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.557 -7.545 -14.663 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.116 -8.398 -16.056 1.00 0.00 H new ATOM 312 N ILE A 23 5.955 -6.583 -8.865 1.00 0.00 N ATOM 313 CA ILE A 23 7.378 -6.463 -8.574 1.00 0.00 C ATOM 314 C ILE A 23 8.219 -6.773 -9.807 1.00 0.00 C ATOM 315 O ILE A 23 7.769 -7.465 -10.721 1.00 0.00 O ATOM 316 CB ILE A 23 7.800 -7.402 -7.429 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.466 -8.853 -7.781 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.116 -6.995 -6.131 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.394 -9.859 -7.137 1.00 0.00 C ATOM 0 H ILE A 23 5.551 -7.489 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 23 7.552 -5.431 -8.269 1.00 0.00 H new ATOM 0 HB ILE A 23 8.878 -7.320 -7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.442 -9.067 -7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.506 -8.974 -8.863 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.424 -7.668 -5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.399 -5.974 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.035 -7.051 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.098 -10.866 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.417 -9.671 -7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.336 -9.765 -6.053 1.00 0.00 H new ATOM 331 N LYS A 24 9.444 -6.260 -9.826 1.00 0.00 N ATOM 332 CA LYS A 24 10.352 -6.484 -10.944 1.00 0.00 C ATOM 333 C LYS A 24 11.462 -7.456 -10.558 1.00 0.00 C ATOM 334 O LYS A 24 12.247 -7.186 -9.648 1.00 0.00 O ATOM 335 CB LYS A 24 10.959 -5.158 -11.409 1.00 0.00 C ATOM 336 CG LYS A 24 10.958 -4.985 -12.918 1.00 0.00 C ATOM 337 CD LYS A 24 12.255 -4.365 -13.409 1.00 0.00 C ATOM 338 CE LYS A 24 12.084 -3.724 -14.778 1.00 0.00 C ATOM 339 NZ LYS A 24 13.246 -3.999 -15.668 1.00 0.00 N ATOM 0 H LYS A 24 9.832 -5.685 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 24 9.779 -6.921 -11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.404 -4.336 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.984 -5.089 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.813 -5.954 -13.396 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.118 -4.355 -13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.594 -3.615 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.029 -5.131 -13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.173 -4.100 -15.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.962 -2.647 -14.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.091 -3.545 -16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.112 -3.618 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.347 -5.026 -15.799 1.00 0.00 H new ATOM 583 N LEU A 41 7.264 -3.302 3.658 1.00 0.00 N ATOM 584 CA LEU A 41 5.951 -3.870 3.940 1.00 0.00 C ATOM 585 C LEU A 41 5.083 -3.887 2.686 1.00 0.00 C ATOM 586 O LEU A 41 4.287 -4.804 2.481 1.00 0.00 O ATOM 587 CB LEU A 41 5.254 -3.072 5.044 1.00 0.00 C ATOM 588 CG LEU A 41 3.996 -3.706 5.639 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.365 -4.833 6.591 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.156 -2.656 6.351 1.00 0.00 C ATOM 0 HA LEU A 41 6.093 -4.897 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.968 -2.905 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.989 -2.093 4.645 1.00 0.00 H new ATOM 0 HG LEU A 41 3.404 -4.126 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.457 -5.272 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.924 -5.597 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.979 -4.439 7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.265 -3.125 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.740 -2.207 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.861 -1.883 5.641 1.00 0.00 H new ATOM 602 N VAL A 42 5.245 -2.868 1.847 1.00 0.00 N ATOM 603 CA VAL A 42 4.480 -2.768 0.610 1.00 0.00 C ATOM 604 C VAL A 42 5.034 -3.706 -0.457 1.00 0.00 C ATOM 605 O VAL A 42 4.282 -4.422 -1.119 1.00 0.00 O ATOM 606 CB VAL A 42 4.483 -1.328 0.064 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.621 -1.228 -1.185 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.006 -0.353 1.130 1.00 0.00 C ATOM 0 H VAL A 42 5.899 -2.101 2.002 1.00 0.00 H new ATOM 0 HA VAL A 42 3.456 -3.057 0.847 1.00 0.00 H new ATOM 0 HB VAL A 42 5.505 -1.063 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.636 -0.203 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.012 -1.897 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.597 -1.512 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.015 0.660 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.992 -0.614 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.669 -0.405 1.994 1.00 0.00 H new ATOM 618 N TYR A 43 6.352 -3.697 -0.618 1.00 0.00 N ATOM 619 CA TYR A 43 7.007 -4.545 -1.606 1.00 0.00 C ATOM 620 C TYR A 43 6.643 -6.011 -1.392 1.00 0.00 C ATOM 621 O TYR A 43 6.500 -6.772 -2.349 1.00 0.00 O ATOM 622 CB TYR A 43 8.525 -4.370 -1.533 1.00 0.00 C ATOM 623 CG TYR A 43 9.267 -5.036 -2.670 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.480 -4.372 -3.871 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.755 -6.331 -2.542 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.156 -4.977 -4.912 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.433 -6.944 -3.578 1.00 0.00 C ATOM 628 CZ TYR A 43 10.631 -6.263 -4.761 1.00 0.00 C ATOM 629 OH TYR A 43 11.306 -6.870 -5.795 1.00 0.00 O ATOM 0 H TYR A 43 6.988 -3.112 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 43 6.660 -4.243 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.760 -3.306 -1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.884 -4.777 -0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.110 -3.365 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.602 -6.867 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.312 -4.446 -5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.806 -7.951 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 43 11.574 -7.773 -5.525 1.00 0.00 H new ATOM 639 N GLN A 44 6.492 -6.399 -0.130 1.00 0.00 N ATOM 640 CA GLN A 44 6.145 -7.773 0.210 1.00 0.00 C ATOM 641 C GLN A 44 4.773 -8.141 -0.346 1.00 0.00 C ATOM 642 O GLN A 44 4.580 -9.236 -0.874 1.00 0.00 O ATOM 643 CB GLN A 44 6.161 -7.966 1.728 1.00 0.00 C ATOM 644 CG GLN A 44 7.551 -8.203 2.296 1.00 0.00 C ATOM 645 CD GLN A 44 8.084 -9.586 1.975 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.768 -10.559 2.661 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.896 -9.680 0.929 1.00 0.00 N ATOM 0 H GLN A 44 6.605 -5.781 0.674 1.00 0.00 H new ATOM 0 HA GLN A 44 6.889 -8.430 -0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.729 -7.085 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.523 -8.812 1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.235 -7.453 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.525 -8.070 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.131 -8.847 0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.285 -10.585 0.665 1.00 0.00 H new ATOM 656 N ILE A 45 3.823 -7.220 -0.222 1.00 0.00 N ATOM 657 CA ILE A 45 2.470 -7.448 -0.713 1.00 0.00 C ATOM 658 C ILE A 45 2.449 -7.560 -2.234 1.00 0.00 C ATOM 659 O ILE A 45 1.783 -8.432 -2.793 1.00 0.00 O ATOM 660 CB ILE A 45 1.516 -6.319 -0.280 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.493 -6.199 1.245 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.116 -6.572 -0.818 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.872 -4.911 1.741 1.00 0.00 C ATOM 0 H ILE A 45 3.966 -6.309 0.214 1.00 0.00 H new ATOM 0 HA ILE A 45 2.130 -8.387 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 45 1.878 -5.378 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.941 -7.042 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.513 -6.270 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.546 -5.765 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.146 -6.612 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.257 -7.520 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.890 -4.895 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.438 -4.063 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.159 -4.847 1.394 1.00 0.00 H new ATOM 675 N ILE A 46 3.182 -6.673 -2.898 1.00 0.00 N ATOM 676 CA ILE A 46 3.250 -6.675 -4.354 1.00 0.00 C ATOM 677 C ILE A 46 3.997 -7.900 -4.868 1.00 0.00 C ATOM 678 O ILE A 46 3.678 -8.433 -5.930 1.00 0.00 O ATOM 679 CB ILE A 46 3.940 -5.405 -4.887 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.242 -4.155 -4.348 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.942 -5.403 -6.408 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.988 -2.872 -4.642 1.00 0.00 C ATOM 0 H ILE A 46 3.737 -5.944 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 46 2.223 -6.700 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 46 4.974 -5.398 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.243 -4.092 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.118 -4.255 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.433 -4.500 -6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.479 -6.279 -6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.915 -5.429 -6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.435 -2.027 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.978 -2.914 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.089 -2.749 -5.720 1.00 0.00 H new ATOM 694 N GLU A 47 4.993 -8.342 -4.106 1.00 0.00 N ATOM 695 CA GLU A 47 5.785 -9.506 -4.485 1.00 0.00 C ATOM 696 C GLU A 47 4.966 -10.787 -4.357 1.00 0.00 C ATOM 697 O GLU A 47 5.069 -11.689 -5.189 1.00 0.00 O ATOM 698 CB GLU A 47 7.041 -9.602 -3.616 1.00 0.00 C ATOM 699 CG GLU A 47 7.827 -10.886 -3.820 1.00 0.00 C ATOM 700 CD GLU A 47 7.640 -11.871 -2.683 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.212 -11.641 -1.598 1.00 0.00 O ATOM 702 OE2 GLU A 47 6.920 -12.873 -2.879 1.00 0.00 O ATOM 0 H GLU A 47 5.270 -7.912 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 47 6.081 -9.387 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.688 -8.752 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.754 -9.525 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.517 -11.353 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.886 -10.648 -3.919 1.00 0.00 H new ATOM 709 N ASP A 48 4.154 -10.860 -3.308 1.00 0.00 N ATOM 710 CA ASP A 48 3.316 -12.030 -3.070 1.00 0.00 C ATOM 711 C ASP A 48 2.329 -12.234 -4.215 1.00 0.00 C ATOM 712 O ASP A 48 1.886 -13.353 -4.474 1.00 0.00 O ATOM 713 CB ASP A 48 2.559 -11.881 -1.749 1.00 0.00 C ATOM 714 CG ASP A 48 3.005 -12.891 -0.710 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.422 -13.994 -0.666 1.00 0.00 O ATOM 716 OD2 ASP A 48 3.938 -12.578 0.059 1.00 0.00 O ATOM 0 H ASP A 48 4.058 -10.123 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 48 3.964 -12.905 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.708 -10.874 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.491 -11.998 -1.930 1.00 0.00 H new ATOM 721 N ALA A 49 1.988 -11.145 -4.897 1.00 0.00 N ATOM 722 CA ALA A 49 1.055 -11.205 -6.015 1.00 0.00 C ATOM 723 C ALA A 49 1.668 -11.938 -7.204 1.00 0.00 C ATOM 724 O ALA A 49 0.966 -12.604 -7.964 1.00 0.00 O ATOM 725 CB ALA A 49 0.627 -9.803 -6.422 1.00 0.00 C ATOM 0 H ALA A 49 2.344 -10.211 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 49 0.176 -11.762 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.070 -9.864 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.141 -9.312 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.503 -9.227 -6.721 1.00 0.00 H new ATOM 731 N GLY A 50 2.983 -11.811 -7.358 1.00 0.00 N ATOM 732 CA GLY A 50 3.668 -12.467 -8.456 1.00 0.00 C ATOM 733 C GLY A 50 3.299 -11.877 -9.803 1.00 0.00 C ATOM 734 O GLY A 50 3.609 -10.721 -10.088 1.00 0.00 O ATOM 0 H GLY A 50 3.586 -11.265 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.745 -12.385 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.425 -13.530 -8.449 1.00 0.00 H new ATOM 738 N ASN A 51 2.637 -12.674 -10.636 1.00 0.00 N ATOM 739 CA ASN A 51 2.229 -12.225 -11.962 1.00 0.00 C ATOM 740 C ASN A 51 0.829 -11.619 -11.923 1.00 0.00 C ATOM 741 O ASN A 51 0.487 -10.765 -12.741 1.00 0.00 O ATOM 742 CB ASN A 51 2.265 -13.391 -12.952 1.00 0.00 C ATOM 743 CG ASN A 51 1.285 -14.490 -12.587 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.088 -14.382 -12.851 1.00 0.00 O ATOM 745 ND2 ASN A 51 1.792 -15.555 -11.976 1.00 0.00 N ATOM 0 H ASN A 51 2.372 -13.634 -10.416 1.00 0.00 H new ATOM 0 HA ASN A 51 2.930 -11.457 -12.290 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.037 -13.022 -13.952 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.273 -13.804 -12.987 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.182 -16.327 -11.706 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.791 -15.601 -11.777 1.00 0.00 H new ATOM 752 N LYS A 52 0.023 -12.067 -10.966 1.00 0.00 N ATOM 753 CA LYS A 52 -1.340 -11.569 -10.818 1.00 0.00 C ATOM 754 C LYS A 52 -1.342 -10.080 -10.486 1.00 0.00 C ATOM 755 O LYS A 52 -2.235 -9.343 -10.901 1.00 0.00 O ATOM 756 CB LYS A 52 -2.073 -12.347 -9.723 1.00 0.00 C ATOM 757 CG LYS A 52 -1.917 -13.854 -9.840 1.00 0.00 C ATOM 758 CD LYS A 52 -2.952 -14.588 -9.003 1.00 0.00 C ATOM 759 CE LYS A 52 -3.083 -16.042 -9.429 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.036 -16.967 -8.264 1.00 0.00 N ATOM 0 H LYS A 52 0.290 -12.774 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.858 -11.713 -11.766 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.701 -12.026 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.133 -12.096 -9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.015 -14.151 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.916 -14.143 -9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.671 -14.540 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.918 -14.091 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.022 -16.180 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.280 -16.291 -10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.128 -17.948 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.130 -16.854 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.817 -16.746 -7.614 1.00 0.00 H new ATOM 774 N GLY A 53 -0.334 -9.644 -9.735 1.00 0.00 N ATOM 775 CA GLY A 53 -0.239 -8.245 -9.362 1.00 0.00 C ATOM 776 C GLY A 53 -1.236 -7.863 -8.287 1.00 0.00 C ATOM 777 O GLY A 53 -2.238 -8.551 -8.087 1.00 0.00 O ATOM 0 H GLY A 53 0.417 -10.235 -9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.770 -8.034 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.404 -7.625 -10.243 1.00 0.00 H new ATOM 781 N ILE A 54 -0.962 -6.764 -7.591 1.00 0.00 N ATOM 782 CA ILE A 54 -1.843 -6.292 -6.530 1.00 0.00 C ATOM 783 C ILE A 54 -2.323 -4.871 -6.805 1.00 0.00 C ATOM 784 O ILE A 54 -1.535 -4.000 -7.174 1.00 0.00 O ATOM 785 CB ILE A 54 -1.143 -6.330 -5.159 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.142 -6.013 -4.044 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.019 -5.349 -5.131 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.216 -7.083 -2.977 1.00 0.00 C ATOM 0 H ILE A 54 -0.137 -6.184 -7.743 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.701 -6.964 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.750 -7.333 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.867 -5.066 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.131 -5.878 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.504 -5.387 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.739 -5.615 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.352 -4.340 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.944 -6.792 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.521 -8.027 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.237 -7.202 -2.513 1.00 0.00 H new ATOM 800 N TRP A 55 -3.618 -4.644 -6.621 1.00 0.00 N ATOM 801 CA TRP A 55 -4.203 -3.327 -6.848 1.00 0.00 C ATOM 802 C TRP A 55 -3.834 -2.367 -5.723 1.00 0.00 C ATOM 803 O TRP A 55 -3.671 -2.776 -4.573 1.00 0.00 O ATOM 804 CB TRP A 55 -5.724 -3.436 -6.964 1.00 0.00 C ATOM 805 CG TRP A 55 -6.172 -4.385 -8.034 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.346 -5.734 -7.912 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.502 -4.057 -9.388 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.763 -6.265 -9.109 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.867 -5.256 -10.030 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.526 -2.867 -10.120 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.250 -5.297 -11.368 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.906 -2.909 -11.448 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.264 -4.117 -12.061 1.00 0.00 C ATOM 0 H TRP A 55 -4.283 -5.354 -6.315 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.802 -2.934 -7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.132 -3.761 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.137 -2.448 -7.168 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.180 -6.300 -7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.963 -7.250 -9.283 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.252 -1.931 -9.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.526 -6.227 -11.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.927 -1.995 -12.023 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.557 -4.117 -13.101 1.00 0.00 H new ATOM 824 N SER A 56 -3.703 -1.088 -6.061 1.00 0.00 N ATOM 825 CA SER A 56 -3.349 -0.070 -5.079 1.00 0.00 C ATOM 826 C SER A 56 -4.292 -0.121 -3.880 1.00 0.00 C ATOM 827 O SER A 56 -3.910 0.223 -2.761 1.00 0.00 O ATOM 828 CB SER A 56 -3.391 1.320 -5.716 1.00 0.00 C ATOM 829 OG SER A 56 -3.670 2.317 -4.749 1.00 0.00 O ATOM 0 H SER A 56 -3.837 -0.732 -7.008 1.00 0.00 H new ATOM 0 HA SER A 56 -2.336 -0.272 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.436 1.532 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.152 1.343 -6.496 1.00 0.00 H new ATOM 0 HG SER A 56 -3.690 3.196 -5.182 1.00 0.00 H new ATOM 835 N ARG A 57 -5.525 -0.552 -4.123 1.00 0.00 N ATOM 836 CA ARG A 57 -6.524 -0.646 -3.065 1.00 0.00 C ATOM 837 C ARG A 57 -6.243 -1.841 -2.158 1.00 0.00 C ATOM 838 O ARG A 57 -6.495 -1.791 -0.954 1.00 0.00 O ATOM 839 CB ARG A 57 -7.925 -0.768 -3.667 1.00 0.00 C ATOM 840 CG ARG A 57 -9.036 -0.365 -2.710 1.00 0.00 C ATOM 841 CD ARG A 57 -10.331 -0.073 -3.451 1.00 0.00 C ATOM 842 NE ARG A 57 -10.771 -1.211 -4.253 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.010 -1.351 -4.713 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.925 -0.428 -4.452 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.334 -2.416 -5.435 1.00 0.00 N ATOM 0 H ARG A 57 -5.856 -0.842 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.471 0.264 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.983 -0.146 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.086 -1.798 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.202 -1.163 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.731 0.517 -2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.109 0.187 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.191 0.794 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.090 -1.938 -4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.679 0.392 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.875 -0.537 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.632 -3.128 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.285 -2.523 -5.788 1.00 0.00 H new ATOM 859 N ASP A 58 -5.721 -2.912 -2.744 1.00 0.00 N ATOM 860 CA ASP A 58 -5.406 -4.119 -1.989 1.00 0.00 C ATOM 861 C ASP A 58 -4.135 -3.929 -1.167 1.00 0.00 C ATOM 862 O ASP A 58 -4.142 -4.094 0.053 1.00 0.00 O ATOM 863 CB ASP A 58 -5.242 -5.310 -2.935 1.00 0.00 C ATOM 864 CG ASP A 58 -6.560 -5.997 -3.234 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.308 -6.290 -2.277 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.845 -6.241 -4.425 1.00 0.00 O ATOM 0 H ASP A 58 -5.507 -2.969 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.233 -4.317 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.793 -4.970 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.553 -6.029 -2.493 1.00 0.00 H new ATOM 871 N VAL A 59 -3.044 -3.583 -1.843 1.00 0.00 N ATOM 872 CA VAL A 59 -1.766 -3.370 -1.176 1.00 0.00 C ATOM 873 C VAL A 59 -1.892 -2.335 -0.064 1.00 0.00 C ATOM 874 O VAL A 59 -1.126 -2.348 0.900 1.00 0.00 O ATOM 875 CB VAL A 59 -0.683 -2.910 -2.170 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.130 -1.654 -2.903 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.636 -2.676 -1.450 1.00 0.00 C ATOM 0 H VAL A 59 -3.020 -3.444 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.471 -4.327 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.533 -3.698 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.352 -1.344 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.049 -1.861 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.310 -0.856 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.390 -2.352 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.504 -1.906 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.961 -3.602 -0.976 1.00 0.00 H new ATOM 887 N ARG A 60 -2.864 -1.439 -0.204 1.00 0.00 N ATOM 888 CA ARG A 60 -3.090 -0.396 0.789 1.00 0.00 C ATOM 889 C ARG A 60 -3.798 -0.958 2.017 1.00 0.00 C ATOM 890 O ARG A 60 -3.457 -0.622 3.152 1.00 0.00 O ATOM 891 CB ARG A 60 -3.918 0.741 0.185 1.00 0.00 C ATOM 892 CG ARG A 60 -4.149 1.899 1.141 1.00 0.00 C ATOM 893 CD ARG A 60 -5.507 2.547 0.914 1.00 0.00 C ATOM 894 NE ARG A 60 -6.539 1.969 1.770 1.00 0.00 N ATOM 895 CZ ARG A 60 -6.671 2.259 3.060 1.00 0.00 C ATOM 896 NH1 ARG A 60 -5.840 3.115 3.639 1.00 0.00 N ATOM 897 NH2 ARG A 60 -7.636 1.692 3.773 1.00 0.00 N ATOM 0 H ARG A 60 -3.507 -1.415 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.120 -0.007 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.414 1.112 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.883 0.347 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.082 1.543 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.363 2.643 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.434 3.618 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.795 2.429 -0.131 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.194 1.307 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.097 3.553 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.944 3.336 4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.277 1.033 3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.737 1.915 4.763 1.00 0.00 H new ATOM 911 N TYR A 61 -4.785 -1.816 1.784 1.00 0.00 N ATOM 912 CA TYR A 61 -5.543 -2.424 2.871 1.00 0.00 C ATOM 913 C TYR A 61 -4.663 -3.359 3.693 1.00 0.00 C ATOM 914 O TYR A 61 -4.593 -3.250 4.918 1.00 0.00 O ATOM 915 CB TYR A 61 -6.744 -3.192 2.316 1.00 0.00 C ATOM 916 CG TYR A 61 -8.003 -3.022 3.137 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.592 -1.773 3.292 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.603 -4.110 3.759 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.741 -1.613 4.041 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.753 -3.960 4.509 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.318 -2.709 4.647 1.00 0.00 C ATOM 922 OH TYR A 61 -11.463 -2.555 5.394 1.00 0.00 O ATOM 0 H TYR A 61 -5.079 -2.106 0.851 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.900 -1.626 3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.938 -2.860 1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.494 -4.252 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.143 -0.912 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.162 -5.090 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.185 -0.635 4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.207 -4.817 4.985 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.740 -3.425 5.751 1.00 0.00 H new ATOM 932 N LYS A 62 -3.990 -4.280 3.011 1.00 0.00 N ATOM 933 CA LYS A 62 -3.111 -5.235 3.675 1.00 0.00 C ATOM 934 C LYS A 62 -1.983 -4.518 4.409 1.00 0.00 C ATOM 935 O LYS A 62 -1.518 -4.977 5.452 1.00 0.00 O ATOM 936 CB LYS A 62 -2.528 -6.217 2.655 1.00 0.00 C ATOM 937 CG LYS A 62 -3.567 -7.125 2.022 1.00 0.00 C ATOM 938 CD LYS A 62 -2.925 -8.347 1.385 1.00 0.00 C ATOM 939 CE LYS A 62 -3.031 -9.566 2.288 1.00 0.00 C ATOM 940 NZ LYS A 62 -2.341 -10.750 1.704 1.00 0.00 N ATOM 0 H LYS A 62 -4.037 -4.385 1.998 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.702 -5.787 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.023 -5.655 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.772 -6.830 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.284 -7.442 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.125 -6.571 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.407 -8.557 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.876 -8.140 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.597 -9.336 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.081 -9.804 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.436 -11.560 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.771 -10.985 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.333 -10.532 1.568 1.00 0.00 H new ATOM 954 N SER A 63 -1.550 -3.388 3.859 1.00 0.00 N ATOM 955 CA SER A 63 -0.474 -2.609 4.460 1.00 0.00 C ATOM 956 C SER A 63 -1.007 -1.728 5.587 1.00 0.00 C ATOM 957 O SER A 63 -0.268 -1.346 6.493 1.00 0.00 O ATOM 958 CB SER A 63 0.211 -1.743 3.401 1.00 0.00 C ATOM 959 OG SER A 63 1.389 -1.146 3.915 1.00 0.00 O ATOM 0 H SER A 63 -1.928 -2.992 2.998 1.00 0.00 H new ATOM 0 HA SER A 63 0.255 -3.303 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.458 -2.353 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.475 -0.967 3.061 1.00 0.00 H new ATOM 0 HG SER A 63 2.161 -1.437 3.386 1.00 0.00 H new ATOM 965 N ASN A 64 -2.296 -1.409 5.521 1.00 0.00 N ATOM 966 CA ASN A 64 -2.929 -0.572 6.534 1.00 0.00 C ATOM 967 C ASN A 64 -2.315 0.825 6.547 1.00 0.00 C ATOM 968 O ASN A 64 -2.110 1.415 7.608 1.00 0.00 O ATOM 969 CB ASN A 64 -2.790 -1.215 7.915 1.00 0.00 C ATOM 970 CG ASN A 64 -4.028 -1.023 8.770 1.00 0.00 C ATOM 971 OD1 ASN A 64 -3.963 -0.448 9.856 1.00 0.00 O ATOM 972 ND2 ASN A 64 -5.165 -1.505 8.281 1.00 0.00 N ATOM 0 H ASN A 64 -2.922 -1.717 4.777 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.987 -0.482 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.594 -2.281 7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.928 -0.787 8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.031 -1.405 8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.172 -1.975 7.376 1.00 0.00 H new ATOM 979 N LEU A 65 -2.026 1.349 5.361 1.00 0.00 N ATOM 980 CA LEU A 65 -1.437 2.677 5.234 1.00 0.00 C ATOM 981 C LEU A 65 -2.344 3.601 4.428 1.00 0.00 C ATOM 982 O LEU A 65 -2.999 3.187 3.470 1.00 0.00 O ATOM 983 CB LEU A 65 -0.062 2.586 4.570 1.00 0.00 C ATOM 984 CG LEU A 65 0.938 1.632 5.224 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.244 1.612 4.446 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.184 2.029 6.673 1.00 0.00 C ATOM 0 H LEU A 65 -2.190 0.874 4.473 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.323 3.093 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.201 2.280 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.377 3.584 4.551 1.00 0.00 H new ATOM 0 HG LEU A 65 0.515 0.627 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.943 0.928 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.054 1.280 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.672 2.614 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.898 1.339 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.585 3.042 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.245 1.990 7.225 1.00 0.00 H new ATOM 998 N PRO A 66 -2.384 4.883 4.820 1.00 0.00 N ATOM 999 CA PRO A 66 -3.205 5.892 4.146 1.00 0.00 C ATOM 1000 C PRO A 66 -2.679 6.232 2.755 1.00 0.00 C ATOM 1001 O PRO A 66 -1.492 6.065 2.471 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.101 7.109 5.069 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.809 6.929 5.788 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.629 5.445 5.953 1.00 0.00 C ATOM 0 HA PRO A 66 -4.227 5.547 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.112 8.039 4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.939 7.151 5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.984 7.361 5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.828 7.430 6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.577 5.161 5.916 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.020 5.096 6.909 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.568 6.710 1.892 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.193 7.075 0.530 1.00 0.00 C ATOM 1014 C LEU A 67 -1.995 8.018 0.529 1.00 0.00 C ATOM 1015 O LEU A 67 -1.108 7.912 -0.318 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.374 7.732 -0.186 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.038 8.899 0.545 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.584 10.226 -0.042 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.554 8.776 0.481 1.00 0.00 C ATOM 0 H LEU A 67 -4.554 6.854 2.111 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.915 6.164 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.032 8.086 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.130 6.969 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.734 8.866 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.068 11.044 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.502 10.317 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.856 10.270 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.010 9.615 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.876 8.782 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.863 7.842 0.951 1.00 0.00 H new ATOM 1031 N THR A 68 -1.973 8.940 1.487 1.00 0.00 N ATOM 1032 CA THR A 68 -0.883 9.902 1.597 1.00 0.00 C ATOM 1033 C THR A 68 0.464 9.196 1.708 1.00 0.00 C ATOM 1034 O THR A 68 1.488 9.723 1.276 1.00 0.00 O ATOM 1035 CB THR A 68 -1.069 10.823 2.818 1.00 0.00 C ATOM 1036 OG1 THR A 68 0.110 11.610 3.021 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.364 10.011 4.069 1.00 0.00 C ATOM 0 H THR A 68 -2.698 9.041 2.198 1.00 0.00 H new ATOM 0 HA THR A 68 -0.900 10.505 0.689 1.00 0.00 H new ATOM 0 HB THR A 68 -1.916 11.481 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.016 12.194 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.491 10.683 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.278 9.435 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.535 9.332 4.266 1.00 0.00 H new ATOM 1045 N GLU A 69 0.454 8.000 2.289 1.00 0.00 N ATOM 1046 CA GLU A 69 1.676 7.223 2.455 1.00 0.00 C ATOM 1047 C GLU A 69 1.945 6.361 1.225 1.00 0.00 C ATOM 1048 O GLU A 69 2.982 6.496 0.575 1.00 0.00 O ATOM 1049 CB GLU A 69 1.579 6.337 3.699 1.00 0.00 C ATOM 1050 CG GLU A 69 1.655 7.112 5.005 1.00 0.00 C ATOM 1051 CD GLU A 69 3.061 7.165 5.570 1.00 0.00 C ATOM 1052 OE1 GLU A 69 4.021 7.015 4.785 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.201 7.357 6.796 1.00 0.00 O ATOM 0 H GLU A 69 -0.386 7.549 2.652 1.00 0.00 H new ATOM 0 HA GLU A 69 2.505 7.921 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.640 5.784 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.383 5.602 3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.294 8.128 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.991 6.651 5.736 1.00 0.00 H new ATOM 1060 N ILE A 70 1.004 5.477 0.912 1.00 0.00 N ATOM 1061 CA ILE A 70 1.139 4.594 -0.240 1.00 0.00 C ATOM 1062 C ILE A 70 1.470 5.383 -1.502 1.00 0.00 C ATOM 1063 O ILE A 70 2.157 4.887 -2.394 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.147 3.781 -0.480 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.477 2.934 0.751 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.005 2.899 -1.710 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.559 1.874 1.052 1.00 0.00 C ATOM 0 H ILE A 70 0.140 5.353 1.440 1.00 0.00 H new ATOM 0 HA ILE A 70 1.957 3.909 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.970 4.474 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.576 3.589 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.444 2.453 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.912 2.331 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.199 3.522 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.838 2.211 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.259 1.313 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.642 1.195 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.523 2.349 1.233 1.00 0.00 H new ATOM 1079 N ASN A 71 0.978 6.616 -1.568 1.00 0.00 N ATOM 1080 CA ASN A 71 1.223 7.476 -2.721 1.00 0.00 C ATOM 1081 C ASN A 71 2.719 7.693 -2.930 1.00 0.00 C ATOM 1082 O ASN A 71 3.211 7.655 -4.057 1.00 0.00 O ATOM 1083 CB ASN A 71 0.521 8.823 -2.536 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.924 8.790 -2.995 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.419 7.758 -3.448 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.607 9.923 -2.880 1.00 0.00 N ATOM 0 H ASN A 71 0.408 7.042 -0.837 1.00 0.00 H new ATOM 0 HA ASN A 71 0.819 6.982 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.559 9.108 -1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.059 9.590 -3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.583 9.962 -3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.155 10.754 -2.499 1.00 0.00 H new ATOM 1093 N LYS A 72 3.436 7.920 -1.835 1.00 0.00 N ATOM 1094 CA LYS A 72 4.876 8.142 -1.895 1.00 0.00 C ATOM 1095 C LYS A 72 5.627 6.817 -1.993 1.00 0.00 C ATOM 1096 O LYS A 72 6.648 6.721 -2.674 1.00 0.00 O ATOM 1097 CB LYS A 72 5.346 8.917 -0.663 1.00 0.00 C ATOM 1098 CG LYS A 72 6.857 9.028 -0.554 1.00 0.00 C ATOM 1099 CD LYS A 72 7.272 9.763 0.710 1.00 0.00 C ATOM 1100 CE LYS A 72 6.736 11.186 0.729 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.166 11.925 1.948 1.00 0.00 N ATOM 0 H LYS A 72 3.043 7.955 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 72 5.091 8.729 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.917 9.919 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.960 8.429 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.297 8.031 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.248 9.552 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.905 9.223 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.360 9.782 0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.082 11.716 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.647 11.164 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.780 12.890 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.814 11.433 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.205 11.968 1.980 1.00 0.00 H new ATOM 1115 N ILE A 73 5.114 5.800 -1.309 1.00 0.00 N ATOM 1116 CA ILE A 73 5.735 4.482 -1.321 1.00 0.00 C ATOM 1117 C ILE A 73 5.695 3.868 -2.716 1.00 0.00 C ATOM 1118 O ILE A 73 6.733 3.544 -3.294 1.00 0.00 O ATOM 1119 CB ILE A 73 5.044 3.525 -0.331 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.089 4.101 1.085 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.703 2.154 -0.372 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.141 3.419 2.046 1.00 0.00 C ATOM 0 H ILE A 73 4.270 5.864 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 73 6.773 4.619 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 73 4.000 3.414 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.105 4.018 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.849 5.164 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.204 1.489 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.624 1.742 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.754 2.247 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.227 3.879 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.118 3.524 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.394 2.361 2.117 1.00 0.00 H new ATOM 1134 N LEU A 74 4.490 3.712 -3.253 1.00 0.00 N ATOM 1135 CA LEU A 74 4.313 3.139 -4.583 1.00 0.00 C ATOM 1136 C LEU A 74 5.185 3.859 -5.607 1.00 0.00 C ATOM 1137 O LEU A 74 5.681 3.249 -6.555 1.00 0.00 O ATOM 1138 CB LEU A 74 2.844 3.217 -5.003 1.00 0.00 C ATOM 1139 CG LEU A 74 1.930 2.121 -4.454 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.495 2.348 -4.902 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.418 0.749 -4.896 1.00 0.00 C ATOM 0 H LEU A 74 3.621 3.974 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 74 4.618 2.093 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.448 4.183 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.796 3.191 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 74 1.959 2.162 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.140 1.558 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.148 3.314 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.447 2.335 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.756 -0.019 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.419 0.696 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.429 0.585 -4.524 1.00 0.00 H new ATOM 1153 N LYS A 75 5.371 5.159 -5.408 1.00 0.00 N ATOM 1154 CA LYS A 75 6.186 5.963 -6.310 1.00 0.00 C ATOM 1155 C LYS A 75 7.671 5.768 -6.021 1.00 0.00 C ATOM 1156 O LYS A 75 8.502 5.830 -6.926 1.00 0.00 O ATOM 1157 CB LYS A 75 5.820 7.443 -6.180 1.00 0.00 C ATOM 1158 CG LYS A 75 5.610 8.138 -7.514 1.00 0.00 C ATOM 1159 CD LYS A 75 4.140 8.433 -7.763 1.00 0.00 C ATOM 1160 CE LYS A 75 3.385 7.182 -8.188 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.420 7.463 -9.287 1.00 0.00 N ATOM 0 H LYS A 75 4.968 5.679 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 75 5.986 5.634 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.910 7.533 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.610 7.957 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.177 9.068 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.997 7.511 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.691 8.840 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.047 9.196 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.095 6.422 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.850 6.772 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.926 6.586 -9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.726 8.169 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.933 7.830 -10.114 1.00 0.00 H new ATOM 1175 N ASN A 76 7.997 5.532 -4.755 1.00 0.00 N ATOM 1176 CA ASN A 76 9.382 5.327 -4.347 1.00 0.00 C ATOM 1177 C ASN A 76 9.984 4.117 -5.055 1.00 0.00 C ATOM 1178 O ASN A 76 10.966 4.237 -5.789 1.00 0.00 O ATOM 1179 CB ASN A 76 9.467 5.140 -2.831 1.00 0.00 C ATOM 1180 CG ASN A 76 10.550 5.996 -2.203 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.741 5.756 -2.402 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.140 7.002 -1.439 1.00 0.00 N ATOM 0 H ASN A 76 7.321 5.478 -3.993 1.00 0.00 H new ATOM 0 HA ASN A 76 9.953 6.212 -4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.505 5.389 -2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.661 4.091 -2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.823 7.612 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.142 7.164 -1.302 1.00 0.00 H new ATOM 1189 N LEU A 77 9.389 2.950 -4.829 1.00 0.00 N ATOM 1190 CA LEU A 77 9.865 1.717 -5.446 1.00 0.00 C ATOM 1191 C LEU A 77 10.004 1.881 -6.956 1.00 0.00 C ATOM 1192 O LEU A 77 10.932 1.349 -7.564 1.00 0.00 O ATOM 1193 CB LEU A 77 8.909 0.565 -5.132 1.00 0.00 C ATOM 1194 CG LEU A 77 9.101 -0.117 -3.777 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.853 -0.895 -3.389 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.315 -1.035 -3.809 1.00 0.00 C ATOM 0 H LEU A 77 8.577 2.832 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 77 10.848 1.489 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.888 0.942 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.011 -0.188 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 77 9.272 0.654 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.008 -1.373 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.005 -0.213 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.650 -1.656 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.436 -1.512 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.173 -1.800 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.206 -0.452 -4.041 1.00 0.00 H new ATOM 1208 N GLU A 78 9.076 2.621 -7.553 1.00 0.00 N ATOM 1209 CA GLU A 78 9.097 2.856 -8.992 1.00 0.00 C ATOM 1210 C GLU A 78 10.417 3.491 -9.421 1.00 0.00 C ATOM 1211 O GLU A 78 11.127 2.957 -10.273 1.00 0.00 O ATOM 1212 CB GLU A 78 7.929 3.756 -9.402 1.00 0.00 C ATOM 1213 CG GLU A 78 7.566 3.650 -10.873 1.00 0.00 C ATOM 1214 CD GLU A 78 7.969 4.879 -11.664 1.00 0.00 C ATOM 1215 OE1 GLU A 78 9.073 5.408 -11.418 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.179 5.313 -12.529 1.00 0.00 O ATOM 0 H GLU A 78 8.301 3.068 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 78 8.997 1.893 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.056 3.500 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.181 4.791 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.051 2.772 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.491 3.498 -10.968 1.00 0.00 H new ATOM 1223 N SER A 79 10.738 4.634 -8.824 1.00 0.00 N ATOM 1224 CA SER A 79 11.970 5.345 -9.147 1.00 0.00 C ATOM 1225 C SER A 79 13.186 4.449 -8.932 1.00 0.00 C ATOM 1226 O SER A 79 14.162 4.517 -9.679 1.00 0.00 O ATOM 1227 CB SER A 79 12.094 6.607 -8.291 1.00 0.00 C ATOM 1228 OG SER A 79 12.631 7.682 -9.043 1.00 0.00 O ATOM 0 H SER A 79 10.163 5.088 -8.114 1.00 0.00 H new ATOM 0 HA SER A 79 11.932 5.630 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.114 6.884 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.733 6.406 -7.431 1.00 0.00 H new ATOM 0 HG SER A 79 12.699 8.477 -8.474 1.00 0.00 H new ATOM 1234 N LYS A 80 13.120 3.609 -7.905 1.00 0.00 N ATOM 1235 CA LYS A 80 14.213 2.697 -7.590 1.00 0.00 C ATOM 1236 C LYS A 80 14.359 1.629 -8.669 1.00 0.00 C ATOM 1237 O LYS A 80 15.359 0.912 -8.716 1.00 0.00 O ATOM 1238 CB LYS A 80 13.977 2.035 -6.230 1.00 0.00 C ATOM 1239 CG LYS A 80 13.568 3.011 -5.141 1.00 0.00 C ATOM 1240 CD LYS A 80 14.433 2.856 -3.901 1.00 0.00 C ATOM 1241 CE LYS A 80 13.609 2.982 -2.628 1.00 0.00 C ATOM 1242 NZ LYS A 80 13.113 1.659 -2.156 1.00 0.00 N ATOM 0 H LYS A 80 12.320 3.541 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 80 15.136 3.276 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.203 1.275 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.888 1.521 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.648 4.031 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.522 2.849 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.928 1.885 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.216 3.614 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.214 3.443 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.762 3.645 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.556 1.787 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.515 1.230 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.922 1.035 -1.960 1.00 0.00 H new ATOM 1256 N LYS A 81 13.357 1.530 -9.536 1.00 0.00 N ATOM 1257 CA LYS A 81 13.375 0.551 -10.617 1.00 0.00 C ATOM 1258 C LYS A 81 13.374 -0.870 -10.064 1.00 0.00 C ATOM 1259 O LYS A 81 13.978 -1.773 -10.645 1.00 0.00 O ATOM 1260 CB LYS A 81 14.603 0.764 -11.505 1.00 0.00 C ATOM 1261 CG LYS A 81 14.326 0.562 -12.985 1.00 0.00 C ATOM 1262 CD LYS A 81 15.589 0.189 -13.743 1.00 0.00 C ATOM 1263 CE LYS A 81 15.783 1.069 -14.969 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.219 1.394 -15.196 1.00 0.00 N ATOM 0 H LYS A 81 12.522 2.116 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 81 12.474 0.690 -11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.983 1.774 -11.350 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.390 0.076 -11.194 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.579 -0.222 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.905 1.475 -13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.452 0.285 -13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.536 -0.856 -14.048 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.382 0.563 -15.847 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.216 1.992 -14.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.310 1.995 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.595 1.900 -14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.756 0.515 -15.338 1.00 0.00 H new ATOM 1278 N LEU A 82 12.692 -1.063 -8.941 1.00 0.00 N ATOM 1279 CA LEU A 82 12.611 -2.376 -8.311 1.00 0.00 C ATOM 1280 C LEU A 82 11.298 -3.069 -8.661 1.00 0.00 C ATOM 1281 O LEU A 82 11.212 -4.297 -8.656 1.00 0.00 O ATOM 1282 CB LEU A 82 12.742 -2.244 -6.792 1.00 0.00 C ATOM 1283 CG LEU A 82 14.151 -1.982 -6.260 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.133 -1.846 -4.746 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.098 -3.094 -6.686 1.00 0.00 C ATOM 0 H LEU A 82 12.187 -0.327 -8.448 1.00 0.00 H new ATOM 0 HA LEU A 82 13.433 -2.984 -8.689 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.094 -1.433 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.367 -3.159 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 82 14.510 -1.044 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.145 -1.660 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.488 -1.014 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.753 -2.766 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.096 -2.890 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.743 -4.046 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.135 -3.144 -7.774 1.00 0.00 H new ATOM 1297 N ILE A 83 10.279 -2.273 -8.967 1.00 0.00 N ATOM 1298 CA ILE A 83 8.971 -2.809 -9.323 1.00 0.00 C ATOM 1299 C ILE A 83 8.528 -2.311 -10.694 1.00 0.00 C ATOM 1300 O ILE A 83 9.194 -1.478 -11.310 1.00 0.00 O ATOM 1301 CB ILE A 83 7.903 -2.429 -8.280 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.776 -0.907 -8.181 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.250 -3.026 -6.925 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.704 -0.452 -7.215 1.00 0.00 C ATOM 0 H ILE A 83 10.334 -1.255 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 83 9.071 -3.894 -9.348 1.00 0.00 H new ATOM 0 HB ILE A 83 6.943 -2.836 -8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.734 -0.490 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.558 -0.504 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.486 -2.749 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.296 -4.112 -7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.217 -2.646 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.670 0.637 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.737 -0.840 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.932 -0.826 -6.217 1.00 0.00 H new ATOM 1316 N LYS A 84 7.397 -2.824 -11.167 1.00 0.00 N ATOM 1317 CA LYS A 84 6.860 -2.430 -12.464 1.00 0.00 C ATOM 1318 C LYS A 84 5.352 -2.217 -12.387 1.00 0.00 C ATOM 1319 O LYS A 84 4.604 -3.129 -12.037 1.00 0.00 O ATOM 1320 CB LYS A 84 7.183 -3.493 -13.516 1.00 0.00 C ATOM 1321 CG LYS A 84 6.622 -4.866 -13.186 1.00 0.00 C ATOM 1322 CD LYS A 84 7.267 -5.950 -14.033 1.00 0.00 C ATOM 1323 CE LYS A 84 6.572 -6.094 -15.378 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.876 -7.402 -16.023 1.00 0.00 N ATOM 0 H LYS A 84 6.834 -3.515 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 84 7.327 -1.488 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.788 -3.170 -14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.265 -3.568 -13.624 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.785 -5.083 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.544 -4.869 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.319 -5.713 -14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.230 -6.900 -13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.495 -5.998 -15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.884 -5.283 -16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.384 -7.461 -16.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.901 -7.484 -16.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.555 -8.176 -15.407 1.00 0.00 H new ATOM 1338 N ALA A 85 4.913 -1.007 -12.716 1.00 0.00 N ATOM 1339 CA ALA A 85 3.493 -0.675 -12.687 1.00 0.00 C ATOM 1340 C ALA A 85 2.778 -1.215 -13.922 1.00 0.00 C ATOM 1341 O ALA A 85 3.323 -1.195 -15.025 1.00 0.00 O ATOM 1342 CB ALA A 85 3.305 0.831 -12.582 1.00 0.00 C ATOM 0 H ALA A 85 5.520 -0.240 -13.006 1.00 0.00 H new ATOM 0 HA ALA A 85 3.052 -1.147 -11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.240 1.064 -12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.774 1.193 -11.667 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.766 1.316 -13.442 1.00 0.00 H new ATOM 1348 N VAL A 86 1.555 -1.697 -13.728 1.00 0.00 N ATOM 1349 CA VAL A 86 0.765 -2.242 -14.825 1.00 0.00 C ATOM 1350 C VAL A 86 -0.638 -1.646 -14.841 1.00 0.00 C ATOM 1351 O VAL A 86 -1.418 -1.841 -13.908 1.00 0.00 O ATOM 1352 CB VAL A 86 0.659 -3.776 -14.733 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.966 -4.428 -15.158 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.276 -4.199 -13.323 1.00 0.00 C ATOM 0 H VAL A 86 1.090 -1.721 -12.821 1.00 0.00 H new ATOM 0 HA VAL A 86 1.280 -1.976 -15.748 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.124 -4.111 -15.414 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.872 -5.512 -15.086 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.193 -4.151 -16.187 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.771 -4.090 -14.505 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.205 -5.286 -13.276 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.035 -3.854 -12.621 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.687 -3.761 -13.061 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.955 -0.920 -15.908 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.265 -0.296 -16.048 1.00 0.00 C ATOM 1366 C LYS A 87 -3.233 -1.221 -16.779 1.00 0.00 C ATOM 1367 O LYS A 87 -2.918 -1.743 -17.849 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.143 1.031 -16.801 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.716 0.871 -18.249 1.00 0.00 C ATOM 1370 CD LYS A 87 -0.843 2.029 -18.704 1.00 0.00 C ATOM 1371 CE LYS A 87 -1.673 3.143 -19.323 1.00 0.00 C ATOM 1372 NZ LYS A 87 -1.174 3.522 -20.673 1.00 0.00 N ATOM 0 H LYS A 87 -0.322 -0.749 -16.689 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.657 -0.105 -15.049 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.103 1.547 -16.769 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.422 1.666 -16.286 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.171 -0.065 -18.367 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.599 0.808 -18.885 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.283 2.420 -17.854 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.112 1.672 -19.430 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.712 2.823 -19.397 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.653 4.016 -18.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.766 4.284 -21.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.190 3.851 -20.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.216 2.696 -21.303 1.00 0.00 H new