USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 31 HIS : no HE2:sc= -4.59! C(o=-6.4!,f=-8.8!) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.847 K(o=-6.4,f=-8.4) USER MOD Set 1.3: A 45 MET CE :methyl -177:sc= -1.39 (180deg=-0.0675) USER MOD Set 1.4: A 49 HIS : no HD1:sc= -1.24 K(o=-6.4,f=-10!) USER MOD Set 2.1: A 20 MET CE :methyl 171:sc= -0.516 (180deg=-0.963) USER MOD Set 2.2: A 63 MET CE :methyl 155:sc= -0.494 (180deg=-1.45!) USER MOD Single : A 18 TYR OH : rot 7:sc= 0.0775 USER MOD Single : A 23 LYS NZ :NH3+ -153:sc=-0.00522 (180deg=-0.127) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.938 K(o=0.94,f=-1.2) USER MOD Single : A 35 CYS SG : rot 107:sc= -1.99! USER MOD Single : A 36 GLN : amide:sc= 1.18 K(o=1.2,f=-0.043) USER MOD Single : A 38 ASN : amide:sc= 0.54 K(o=0.54,f=-0.24) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -7:sc= 0.0622 USER MOD Single : A 53 SER OG : rot 107:sc= 1.3 USER MOD Single : A 56 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= -0.0151 (180deg=-0.205) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00891) USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= -0.0836 (180deg=-0.298) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0109) USER MOD Single : A 77 ASN : amide:sc= 0.91 K(o=0.91,f=-0.02) USER MOD Single : A 79 SER OG : rot 30:sc= 1.06 USER MOD Single : A 83 THR OG1 : rot -42:sc= 0.121 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 100 GLN : amide:sc= -2.05! C(o=-2.1!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 5.195 9.225 15.310 1.00 0.00 N ATOM 285 CA TYR A 18 5.887 9.850 14.165 1.00 0.00 C ATOM 286 C TYR A 18 7.412 9.690 14.141 1.00 0.00 C ATOM 287 O TYR A 18 8.004 9.785 13.079 1.00 0.00 O ATOM 288 CB TYR A 18 5.391 11.275 13.743 1.00 0.00 C ATOM 289 CG TYR A 18 4.220 11.235 12.750 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.276 10.222 12.800 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.997 12.240 11.809 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.115 10.273 12.066 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.873 12.234 10.995 1.00 0.00 C ATOM 294 CZ TYR A 18 1.909 11.261 11.142 1.00 0.00 C ATOM 295 OH TYR A 18 0.701 11.300 10.414 1.00 0.00 O ATOM 0 HA TYR A 18 5.539 9.215 13.350 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.086 11.826 14.633 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.220 11.824 13.296 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.458 9.367 13.434 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.715 13.041 11.712 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.354 9.522 12.221 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.753 12.998 10.241 1.00 0.00 H new ATOM 0 HH TYR A 18 0.084 10.626 10.768 1.00 0.00 H new ATOM 305 N ASP A 19 8.065 9.340 15.290 1.00 0.00 N ATOM 306 CA ASP A 19 9.485 8.965 15.385 1.00 0.00 C ATOM 307 C ASP A 19 9.761 7.568 14.802 1.00 0.00 C ATOM 308 O ASP A 19 10.623 7.421 13.945 1.00 0.00 O ATOM 309 CB ASP A 19 10.036 9.030 16.838 1.00 0.00 C ATOM 310 CG ASP A 19 9.849 10.443 17.399 1.00 0.00 C ATOM 311 OD1 ASP A 19 10.429 11.394 16.810 1.00 0.00 O ATOM 312 OD2 ASP A 19 9.128 10.588 18.422 1.00 0.00 O ATOM 0 H ASP A 19 7.592 9.315 16.193 1.00 0.00 H new ATOM 0 HA ASP A 19 10.010 9.710 14.787 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.516 8.307 17.467 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.092 8.761 16.849 1.00 0.00 H new ATOM 317 N MET A 20 8.976 6.513 15.207 1.00 0.00 N ATOM 318 CA MET A 20 9.060 5.125 14.688 1.00 0.00 C ATOM 319 C MET A 20 8.521 4.974 13.279 1.00 0.00 C ATOM 320 O MET A 20 8.981 4.181 12.461 1.00 0.00 O ATOM 321 CB MET A 20 8.417 4.072 15.674 1.00 0.00 C ATOM 322 CG MET A 20 7.028 3.447 15.360 1.00 0.00 C ATOM 323 SD MET A 20 7.025 1.662 14.926 1.00 0.00 S ATOM 324 CE MET A 20 8.315 1.468 13.664 1.00 0.00 C ATOM 0 H MET A 20 8.255 6.620 15.920 1.00 0.00 H new ATOM 0 HA MET A 20 10.126 4.905 14.630 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.125 3.250 15.774 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.342 4.549 16.651 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.383 3.590 16.227 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.581 4.002 14.535 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.481 0.408 13.473 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.999 1.958 12.743 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.241 1.922 14.017 1.00 0.00 H new ATOM 334 N VAL A 21 7.523 5.815 12.946 1.00 0.00 N ATOM 335 CA VAL A 21 6.902 5.912 11.616 1.00 0.00 C ATOM 336 C VAL A 21 7.765 6.614 10.581 1.00 0.00 C ATOM 337 O VAL A 21 7.692 6.257 9.407 1.00 0.00 O ATOM 338 CB VAL A 21 5.404 6.213 11.683 1.00 0.00 C ATOM 339 CG1 VAL A 21 5.000 7.571 11.060 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.657 5.007 11.092 1.00 0.00 C ATOM 0 H VAL A 21 7.116 6.465 13.618 1.00 0.00 H new ATOM 0 HA VAL A 21 6.884 4.918 11.169 1.00 0.00 H new ATOM 0 HB VAL A 21 5.113 6.344 12.725 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.922 7.706 11.149 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.511 8.378 11.584 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.282 7.586 10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.583 5.192 11.126 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.967 4.858 10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.890 4.114 11.673 1.00 0.00 H new ATOM 350 N VAL A 22 8.630 7.618 10.971 1.00 0.00 N ATOM 351 CA VAL A 22 9.544 8.392 10.093 1.00 0.00 C ATOM 352 C VAL A 22 10.460 7.558 9.193 1.00 0.00 C ATOM 353 O VAL A 22 10.674 7.933 8.048 1.00 0.00 O ATOM 354 CB VAL A 22 10.318 9.541 10.778 1.00 0.00 C ATOM 355 CG1 VAL A 22 11.718 9.172 11.335 1.00 0.00 C ATOM 356 CG2 VAL A 22 10.401 10.761 9.829 1.00 0.00 C ATOM 0 H VAL A 22 8.700 7.909 11.946 1.00 0.00 H new ATOM 0 HA VAL A 22 8.825 8.871 9.429 1.00 0.00 H new ATOM 0 HB VAL A 22 9.737 9.787 11.667 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.171 10.051 11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.616 8.385 12.082 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.352 8.820 10.521 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.948 11.567 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.919 10.475 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.395 11.102 9.585 1.00 0.00 H new ATOM 366 N LYS A 23 10.933 6.350 9.644 1.00 0.00 N ATOM 367 CA LYS A 23 11.608 5.377 8.765 1.00 0.00 C ATOM 368 C LYS A 23 10.680 4.624 7.790 1.00 0.00 C ATOM 369 O LYS A 23 11.059 4.305 6.669 1.00 0.00 O ATOM 370 CB LYS A 23 12.486 4.368 9.543 1.00 0.00 C ATOM 371 CG LYS A 23 11.738 3.521 10.585 1.00 0.00 C ATOM 372 CD LYS A 23 12.346 3.620 11.985 1.00 0.00 C ATOM 373 CE LYS A 23 12.226 5.033 12.565 1.00 0.00 C ATOM 374 NZ LYS A 23 12.694 5.067 13.968 1.00 0.00 N ATOM 0 H LYS A 23 10.851 6.043 10.613 1.00 0.00 H new ATOM 0 HA LYS A 23 12.253 6.007 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.963 3.698 8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.282 4.916 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.696 3.840 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.740 2.478 10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.847 2.913 12.648 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.397 3.333 11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.812 5.728 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.189 5.365 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.213 5.837 14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.477 4.160 14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.721 5.228 13.987 1.00 0.00 H new ATOM 388 N ILE A 24 9.408 4.349 8.191 1.00 0.00 N ATOM 389 CA ILE A 24 8.350 3.696 7.418 1.00 0.00 C ATOM 390 C ILE A 24 7.713 4.619 6.370 1.00 0.00 C ATOM 391 O ILE A 24 7.530 4.207 5.227 1.00 0.00 O ATOM 392 CB ILE A 24 7.386 2.899 8.298 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.019 1.476 8.493 1.00 0.00 C ATOM 394 CG2 ILE A 24 5.928 2.925 7.729 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.204 0.556 9.411 1.00 0.00 C ATOM 0 H ILE A 24 9.088 4.600 9.127 1.00 0.00 H new ATOM 0 HA ILE A 24 8.821 2.928 6.804 1.00 0.00 H new ATOM 0 HB ILE A 24 7.262 3.346 9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.126 0.999 7.519 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.022 1.588 8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.273 2.348 8.381 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.575 3.955 7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.920 2.490 6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.705 -0.408 9.497 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.119 1.010 10.398 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.209 0.412 8.991 1.00 0.00 H new ATOM 407 N ILE A 25 7.424 5.916 6.705 1.00 0.00 N ATOM 408 CA ILE A 25 6.948 6.967 5.770 1.00 0.00 C ATOM 409 C ILE A 25 8.001 7.313 4.725 1.00 0.00 C ATOM 410 O ILE A 25 7.675 7.602 3.579 1.00 0.00 O ATOM 411 CB ILE A 25 6.253 8.197 6.363 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.117 8.947 7.399 1.00 0.00 C ATOM 413 CG2 ILE A 25 4.926 7.705 6.973 1.00 0.00 C ATOM 414 CD1 ILE A 25 6.455 10.192 8.002 1.00 0.00 C ATOM 0 H ILE A 25 7.521 6.259 7.661 1.00 0.00 H new ATOM 0 HA ILE A 25 6.108 6.482 5.272 1.00 0.00 H new ATOM 0 HB ILE A 25 6.077 8.932 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.371 8.260 8.206 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.053 9.243 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.392 8.548 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.313 7.252 6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.133 6.966 7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.134 10.654 8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.226 10.903 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.534 9.905 8.509 1.00 0.00 H new ATOM 426 N ASP A 26 9.307 7.172 5.111 1.00 0.00 N ATOM 427 CA ASP A 26 10.468 7.202 4.209 1.00 0.00 C ATOM 428 C ASP A 26 10.547 5.937 3.320 1.00 0.00 C ATOM 429 O ASP A 26 10.690 6.073 2.111 1.00 0.00 O ATOM 430 CB ASP A 26 11.799 7.464 4.981 1.00 0.00 C ATOM 431 CG ASP A 26 12.977 7.841 4.069 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.862 8.869 3.350 1.00 0.00 O ATOM 433 OD2 ASP A 26 13.999 7.105 4.086 1.00 0.00 O ATOM 0 H ASP A 26 9.571 7.032 6.086 1.00 0.00 H new ATOM 0 HA ASP A 26 10.324 8.047 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.639 8.265 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.061 6.571 5.549 1.00 0.00 H new ATOM 438 N VAL A 27 10.372 4.687 3.871 1.00 0.00 N ATOM 439 CA VAL A 27 10.257 3.388 3.156 1.00 0.00 C ATOM 440 C VAL A 27 9.094 3.381 2.152 1.00 0.00 C ATOM 441 O VAL A 27 9.289 3.126 0.968 1.00 0.00 O ATOM 442 CB VAL A 27 9.987 2.224 4.151 1.00 0.00 C ATOM 443 CG1 VAL A 27 9.356 0.923 3.620 1.00 0.00 C ATOM 444 CG2 VAL A 27 11.227 1.723 4.896 1.00 0.00 C ATOM 0 H VAL A 27 10.305 4.566 4.882 1.00 0.00 H new ATOM 0 HA VAL A 27 11.206 3.254 2.636 1.00 0.00 H new ATOM 0 HB VAL A 27 9.268 2.754 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.235 0.216 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.381 1.143 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.004 0.488 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.945 0.912 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.962 1.360 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.658 2.540 5.475 1.00 0.00 H new ATOM 454 N LEU A 28 7.866 3.705 2.665 1.00 0.00 N ATOM 455 CA LEU A 28 6.543 3.697 2.048 1.00 0.00 C ATOM 456 C LEU A 28 6.269 4.732 0.999 1.00 0.00 C ATOM 457 O LEU A 28 5.797 4.354 -0.062 1.00 0.00 O ATOM 458 CB LEU A 28 5.392 3.544 3.110 1.00 0.00 C ATOM 459 CG LEU A 28 3.960 3.172 2.642 1.00 0.00 C ATOM 460 CD1 LEU A 28 3.163 2.530 3.794 1.00 0.00 C ATOM 461 CD2 LEU A 28 3.132 4.372 2.166 1.00 0.00 C ATOM 0 H LEU A 28 7.797 4.011 3.636 1.00 0.00 H new ATOM 0 HA LEU A 28 6.555 2.789 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.708 2.785 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.323 4.486 3.653 1.00 0.00 H new ATOM 0 HG LEU A 28 4.112 2.488 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.162 2.276 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.671 1.626 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.092 3.234 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.144 4.032 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.029 5.089 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.633 4.849 1.324 1.00 0.00 H new ATOM 473 N ARG A 29 6.559 6.041 1.213 1.00 0.00 N ATOM 474 CA ARG A 29 6.419 7.111 0.208 1.00 0.00 C ATOM 475 C ARG A 29 7.419 7.061 -0.971 1.00 0.00 C ATOM 476 O ARG A 29 7.145 7.570 -2.042 1.00 0.00 O ATOM 477 CB ARG A 29 6.333 8.516 0.856 1.00 0.00 C ATOM 478 CG ARG A 29 5.127 8.659 1.811 1.00 0.00 C ATOM 479 CD ARG A 29 5.053 10.020 2.522 1.00 0.00 C ATOM 480 NE ARG A 29 4.878 11.105 1.495 1.00 0.00 N ATOM 481 CZ ARG A 29 4.892 12.438 1.808 1.00 0.00 C ATOM 482 NH1 ARG A 29 5.046 12.854 3.098 1.00 0.00 N ATOM 483 NH2 ARG A 29 4.748 13.362 0.812 1.00 0.00 N ATOM 0 H ARG A 29 6.904 6.383 2.110 1.00 0.00 H new ATOM 0 HA ARG A 29 5.459 6.903 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.253 8.715 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.262 9.270 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.208 8.505 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.175 7.870 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.221 10.031 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.961 10.192 3.099 1.00 0.00 H new ATOM 0 HE ARG A 29 4.743 10.835 0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.153 12.168 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.054 13.851 3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.631 13.056 -0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.757 14.357 1.035 1.00 0.00 H new ATOM 497 N SER A 30 8.628 6.491 -0.804 1.00 0.00 N ATOM 498 CA SER A 30 9.777 6.427 -1.710 1.00 0.00 C ATOM 499 C SER A 30 9.614 5.448 -2.858 1.00 0.00 C ATOM 500 O SER A 30 9.772 5.830 -4.020 1.00 0.00 O ATOM 501 CB SER A 30 11.057 6.061 -0.898 1.00 0.00 C ATOM 502 OG SER A 30 12.260 6.056 -1.678 1.00 0.00 O ATOM 0 H SER A 30 8.840 6.012 0.071 1.00 0.00 H new ATOM 0 HA SER A 30 9.861 7.415 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.170 6.771 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.922 5.076 -0.451 1.00 0.00 H new ATOM 0 HG SER A 30 13.020 5.821 -1.106 1.00 0.00 H new ATOM 508 N HIS A 31 9.234 4.147 -2.595 1.00 0.00 N ATOM 509 CA HIS A 31 8.961 3.142 -3.643 1.00 0.00 C ATOM 510 C HIS A 31 7.758 3.521 -4.534 1.00 0.00 C ATOM 511 O HIS A 31 7.665 3.296 -5.737 1.00 0.00 O ATOM 512 CB HIS A 31 8.848 1.716 -3.025 1.00 0.00 C ATOM 513 CG HIS A 31 7.945 1.506 -1.828 1.00 0.00 C ATOM 514 ND1 HIS A 31 6.568 1.617 -1.817 1.00 0.00 N ATOM 515 CD2 HIS A 31 8.290 1.086 -0.578 1.00 0.00 C ATOM 516 CE1 HIS A 31 6.162 1.303 -0.561 1.00 0.00 C ATOM 517 NE2 HIS A 31 7.169 0.960 0.219 1.00 0.00 N ATOM 0 H HIS A 31 9.114 3.787 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 31 9.815 3.129 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.513 1.041 -3.813 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.852 1.400 -2.740 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.972 1.883 -2.601 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.300 0.880 -0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.132 1.331 -0.237 1.00 0.00 H new ATOM 525 N ASN A 32 6.818 4.213 -3.876 1.00 0.00 N ATOM 526 CA ASN A 32 5.622 4.850 -4.339 1.00 0.00 C ATOM 527 C ASN A 32 5.922 6.129 -5.185 1.00 0.00 C ATOM 528 O ASN A 32 5.275 6.364 -6.201 1.00 0.00 O ATOM 529 CB ASN A 32 4.714 4.930 -3.062 1.00 0.00 C ATOM 530 CG ASN A 32 3.849 6.162 -2.854 1.00 0.00 C ATOM 531 OD1 ASN A 32 2.629 6.096 -2.777 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.523 7.321 -2.706 1.00 0.00 N ATOM 0 H ASN A 32 6.913 4.344 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 32 5.052 4.311 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.055 4.062 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.361 4.830 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.015 8.186 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.540 7.332 -2.778 1.00 0.00 H new ATOM 539 N GLU A 33 6.962 6.955 -4.833 1.00 0.00 N ATOM 540 CA GLU A 33 7.455 8.120 -5.596 1.00 0.00 C ATOM 541 C GLU A 33 8.177 7.675 -6.856 1.00 0.00 C ATOM 542 O GLU A 33 8.003 8.236 -7.933 1.00 0.00 O ATOM 543 CB GLU A 33 8.421 9.023 -4.779 1.00 0.00 C ATOM 544 CG GLU A 33 7.689 10.002 -3.845 1.00 0.00 C ATOM 545 CD GLU A 33 7.107 11.177 -4.630 1.00 0.00 C ATOM 546 OE1 GLU A 33 7.905 11.941 -5.237 1.00 0.00 O ATOM 547 OE2 GLU A 33 5.856 11.329 -4.628 1.00 0.00 O ATOM 0 H GLU A 33 7.490 6.808 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 33 6.567 8.702 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.084 8.392 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.049 9.588 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.890 9.480 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.380 10.373 -3.087 1.00 0.00 H new ATOM 554 N ALA A 34 8.979 6.578 -6.745 1.00 0.00 N ATOM 555 CA ALA A 34 9.703 5.921 -7.836 1.00 0.00 C ATOM 556 C ALA A 34 8.762 5.259 -8.840 1.00 0.00 C ATOM 557 O ALA A 34 9.078 5.074 -10.007 1.00 0.00 O ATOM 558 CB ALA A 34 10.772 4.940 -7.321 1.00 0.00 C ATOM 0 H ALA A 34 9.135 6.119 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 34 10.231 6.710 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.281 4.479 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.497 5.479 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.296 4.166 -6.719 1.00 0.00 H new ATOM 564 N CYS A 35 7.546 4.885 -8.364 1.00 0.00 N ATOM 565 CA CYS A 35 6.408 4.314 -9.071 1.00 0.00 C ATOM 566 C CYS A 35 5.848 5.162 -10.222 1.00 0.00 C ATOM 567 O CYS A 35 5.460 4.582 -11.218 1.00 0.00 O ATOM 568 CB CYS A 35 5.260 4.017 -8.067 1.00 0.00 C ATOM 569 SG CYS A 35 4.141 2.675 -8.509 1.00 0.00 S ATOM 0 H CYS A 35 7.334 4.994 -7.372 1.00 0.00 H new ATOM 0 HA CYS A 35 6.796 3.406 -9.532 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.703 3.788 -7.098 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.672 4.926 -7.941 1.00 0.00 H new ATOM 0 HG CYS A 35 4.381 1.644 -7.754 1.00 0.00 H new ATOM 575 N GLN A 36 5.818 6.537 -10.163 1.00 0.00 N ATOM 576 CA GLN A 36 5.330 7.424 -11.249 1.00 0.00 C ATOM 577 C GLN A 36 6.287 7.542 -12.436 1.00 0.00 C ATOM 578 O GLN A 36 5.940 7.999 -13.516 1.00 0.00 O ATOM 579 CB GLN A 36 4.785 8.811 -10.779 1.00 0.00 C ATOM 580 CG GLN A 36 5.671 9.651 -9.824 1.00 0.00 C ATOM 581 CD GLN A 36 6.874 10.331 -10.500 1.00 0.00 C ATOM 582 OE1 GLN A 36 6.724 11.283 -11.276 1.00 0.00 O ATOM 583 NE2 GLN A 36 8.090 9.841 -10.143 1.00 0.00 N ATOM 0 H GLN A 36 6.139 7.054 -9.344 1.00 0.00 H new ATOM 0 HA GLN A 36 4.454 6.892 -11.620 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.587 9.411 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.827 8.645 -10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.053 10.417 -9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.037 9.005 -9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.153 9.053 -9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.940 10.261 -10.520 1.00 0.00 H new ATOM 592 N GLU A 37 7.531 7.075 -12.223 1.00 0.00 N ATOM 593 CA GLU A 37 8.629 7.010 -13.192 1.00 0.00 C ATOM 594 C GLU A 37 8.715 5.622 -13.842 1.00 0.00 C ATOM 595 O GLU A 37 9.331 5.406 -14.879 1.00 0.00 O ATOM 596 CB GLU A 37 9.948 7.408 -12.452 1.00 0.00 C ATOM 597 CG GLU A 37 11.022 6.319 -12.197 1.00 0.00 C ATOM 598 CD GLU A 37 12.087 6.223 -13.296 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.033 7.008 -14.278 1.00 0.00 O ATOM 600 OE2 GLU A 37 12.977 5.341 -13.156 1.00 0.00 O ATOM 0 H GLU A 37 7.809 6.711 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 37 8.456 7.708 -14.011 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.419 8.207 -13.024 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.670 7.829 -11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.514 6.524 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.528 5.352 -12.099 1.00 0.00 H new ATOM 607 N ASN A 38 8.119 4.643 -13.136 1.00 0.00 N ATOM 608 CA ASN A 38 8.090 3.213 -13.320 1.00 0.00 C ATOM 609 C ASN A 38 6.644 2.887 -13.603 1.00 0.00 C ATOM 610 O ASN A 38 5.814 3.780 -13.751 1.00 0.00 O ATOM 611 CB ASN A 38 8.599 2.515 -12.030 1.00 0.00 C ATOM 612 CG ASN A 38 10.125 2.508 -11.984 1.00 0.00 C ATOM 613 OD1 ASN A 38 10.775 1.932 -12.855 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.733 3.147 -10.956 1.00 0.00 N ATOM 0 H ASN A 38 7.575 4.894 -12.311 1.00 0.00 H new ATOM 0 HA ASN A 38 8.732 2.870 -14.131 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.207 3.030 -11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.225 1.492 -11.993 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.751 3.157 -10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.173 3.618 -10.245 1.00 0.00 H new ATOM 621 N LYS A 39 6.281 1.584 -13.737 1.00 0.00 N ATOM 622 CA LYS A 39 4.882 1.169 -13.846 1.00 0.00 C ATOM 623 C LYS A 39 4.365 0.903 -12.428 1.00 0.00 C ATOM 624 O LYS A 39 3.622 1.669 -11.837 1.00 0.00 O ATOM 625 CB LYS A 39 4.691 0.024 -14.894 1.00 0.00 C ATOM 626 CG LYS A 39 5.361 -1.344 -14.632 1.00 0.00 C ATOM 627 CD LYS A 39 4.403 -2.341 -13.952 1.00 0.00 C ATOM 628 CE LYS A 39 3.578 -3.172 -14.943 1.00 0.00 C ATOM 629 NZ LYS A 39 2.642 -4.071 -14.227 1.00 0.00 N ATOM 0 H LYS A 39 6.948 0.813 -13.771 1.00 0.00 H new ATOM 0 HA LYS A 39 4.254 1.956 -14.263 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.620 -0.148 -15.003 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.054 0.391 -15.854 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.708 -1.763 -15.576 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.240 -1.202 -14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.981 -3.014 -13.319 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.725 -1.793 -13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.019 -2.509 -15.603 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.244 -3.761 -15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.094 -4.623 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.181 -4.717 -13.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.993 -3.504 -13.645 1.00 0.00 H new ATOM 643 N ASP A 40 4.804 -0.165 -11.763 1.00 0.00 N ATOM 644 CA ASP A 40 4.653 -0.341 -10.338 1.00 0.00 C ATOM 645 C ASP A 40 5.869 -1.227 -10.053 1.00 0.00 C ATOM 646 O ASP A 40 5.748 -2.445 -10.135 1.00 0.00 O ATOM 647 CB ASP A 40 3.245 -0.865 -9.857 1.00 0.00 C ATOM 648 CG ASP A 40 3.174 -1.104 -8.343 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.577 -0.194 -7.575 1.00 0.00 O ATOM 650 OD2 ASP A 40 2.693 -2.192 -7.937 1.00 0.00 O ATOM 0 H ASP A 40 5.283 -0.942 -12.218 1.00 0.00 H new ATOM 0 HA ASP A 40 4.646 0.582 -9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.479 -0.143 -10.141 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.014 -1.795 -10.376 1.00 0.00 H new ATOM 655 N LEU A 41 7.090 -0.665 -9.766 1.00 0.00 N ATOM 656 CA LEU A 41 8.385 -1.364 -9.563 1.00 0.00 C ATOM 657 C LEU A 41 8.460 -2.472 -8.492 1.00 0.00 C ATOM 658 O LEU A 41 9.281 -3.383 -8.522 1.00 0.00 O ATOM 659 CB LEU A 41 9.594 -0.411 -9.398 1.00 0.00 C ATOM 660 CG LEU A 41 9.695 0.337 -8.060 1.00 0.00 C ATOM 661 CD1 LEU A 41 11.161 0.655 -7.760 1.00 0.00 C ATOM 662 CD2 LEU A 41 8.856 1.604 -8.110 1.00 0.00 C ATOM 0 H LEU A 41 7.190 0.345 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 41 8.446 -1.891 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.507 -0.990 -9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.560 0.326 -10.200 1.00 0.00 H new ATOM 0 HG LEU A 41 9.309 -0.291 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.231 1.186 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.730 -0.273 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.568 1.279 -8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.933 2.129 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.219 2.249 -8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.814 1.343 -8.298 1.00 0.00 H new ATOM 674 N GLN A 42 7.533 -2.350 -7.528 1.00 0.00 N ATOM 675 CA GLN A 42 7.171 -3.106 -6.347 1.00 0.00 C ATOM 676 C GLN A 42 6.036 -4.113 -6.557 1.00 0.00 C ATOM 677 O GLN A 42 5.365 -4.220 -5.533 1.00 0.00 O ATOM 678 CB GLN A 42 6.866 -2.120 -5.154 1.00 0.00 C ATOM 679 CG GLN A 42 5.524 -1.318 -5.201 1.00 0.00 C ATOM 680 CD GLN A 42 5.660 0.192 -4.989 1.00 0.00 C ATOM 681 OE1 GLN A 42 5.017 0.851 -4.163 1.00 0.00 O ATOM 682 NE2 GLN A 42 6.569 0.773 -5.811 1.00 0.00 N ATOM 0 H GLN A 42 6.904 -1.550 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 42 8.034 -3.724 -6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.880 -2.697 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.684 -1.402 -5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.049 -1.492 -6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.854 -1.717 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.085 0.205 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.736 1.778 -5.757 1.00 0.00 H new ATOM 691 N PRO A 43 5.665 -4.913 -7.633 1.00 0.00 N ATOM 692 CA PRO A 43 4.283 -5.199 -8.092 1.00 0.00 C ATOM 693 C PRO A 43 3.165 -5.437 -7.068 1.00 0.00 C ATOM 694 O PRO A 43 2.073 -4.933 -7.286 1.00 0.00 O ATOM 695 CB PRO A 43 4.480 -6.436 -8.982 1.00 0.00 C ATOM 696 CG PRO A 43 5.857 -6.245 -9.632 1.00 0.00 C ATOM 697 CD PRO A 43 6.581 -5.235 -8.725 1.00 0.00 C ATOM 0 HA PRO A 43 3.893 -4.295 -8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.445 -7.354 -8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.695 -6.509 -9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.402 -7.187 -9.689 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.765 -5.868 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.508 -5.658 -8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.848 -4.337 -9.283 1.00 0.00 H new ATOM 705 N TYR A 44 3.471 -6.098 -5.935 1.00 0.00 N ATOM 706 CA TYR A 44 2.708 -6.116 -4.711 1.00 0.00 C ATOM 707 C TYR A 44 3.790 -6.562 -3.698 1.00 0.00 C ATOM 708 O TYR A 44 4.546 -7.495 -3.960 1.00 0.00 O ATOM 709 CB TYR A 44 1.628 -7.267 -4.612 1.00 0.00 C ATOM 710 CG TYR A 44 0.420 -7.210 -5.545 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.769 -6.592 -5.153 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.402 -7.918 -6.747 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.907 -6.670 -5.933 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.742 -7.990 -7.521 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.891 -7.347 -7.125 1.00 0.00 C ATOM 716 OH TYR A 44 -3.052 -7.385 -7.921 1.00 0.00 O ATOM 0 H TYR A 44 4.316 -6.665 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 44 2.191 -5.164 -4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.137 -8.216 -4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.256 -7.286 -3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.800 -6.043 -4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.299 -8.420 -7.080 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.817 -6.193 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.733 -8.555 -8.442 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.800 -6.988 -7.428 1.00 0.00 H new ATOM 726 N MET A 45 3.850 -5.942 -2.509 1.00 0.00 N ATOM 727 CA MET A 45 4.739 -6.202 -1.379 1.00 0.00 C ATOM 728 C MET A 45 3.952 -6.892 -0.236 1.00 0.00 C ATOM 729 O MET A 45 2.739 -6.700 -0.221 1.00 0.00 O ATOM 730 CB MET A 45 5.292 -4.837 -0.825 1.00 0.00 C ATOM 731 CG MET A 45 5.580 -3.702 -1.843 1.00 0.00 C ATOM 732 SD MET A 45 4.611 -2.177 -1.556 1.00 0.00 S ATOM 733 CE MET A 45 5.362 -1.683 0.021 1.00 0.00 C ATOM 0 H MET A 45 3.213 -5.173 -2.301 1.00 0.00 H new ATOM 0 HA MET A 45 5.554 -6.842 -1.716 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.576 -4.458 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.216 -5.045 -0.286 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.642 -3.457 -1.807 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.371 -4.068 -2.848 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.864 -0.789 0.397 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.252 -2.490 0.745 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.421 -1.473 -0.130 1.00 0.00 H new ATOM 743 N PRO A 46 4.427 -7.689 0.752 1.00 0.00 N ATOM 744 CA PRO A 46 3.617 -8.125 1.910 1.00 0.00 C ATOM 745 C PRO A 46 3.398 -6.975 2.935 1.00 0.00 C ATOM 746 O PRO A 46 4.036 -5.923 2.837 1.00 0.00 O ATOM 747 CB PRO A 46 4.523 -9.224 2.518 1.00 0.00 C ATOM 748 CG PRO A 46 5.954 -8.740 2.241 1.00 0.00 C ATOM 749 CD PRO A 46 5.806 -8.181 0.817 1.00 0.00 C ATOM 0 HA PRO A 46 2.614 -8.453 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.343 -9.340 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.336 -10.193 2.056 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.276 -7.978 2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.680 -9.551 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.521 -7.380 0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.987 -8.952 0.068 1.00 0.00 H new ATOM 757 N ILE A 47 2.543 -7.165 3.989 1.00 0.00 N ATOM 758 CA ILE A 47 2.295 -6.207 5.106 1.00 0.00 C ATOM 759 C ILE A 47 3.608 -5.949 5.905 1.00 0.00 C ATOM 760 O ILE A 47 4.007 -4.801 6.089 1.00 0.00 O ATOM 761 CB ILE A 47 0.993 -6.490 5.887 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.197 -6.444 4.884 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.809 -5.484 7.050 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.574 -6.758 5.492 1.00 0.00 C ATOM 0 H ILE A 47 1.992 -8.018 4.083 1.00 0.00 H new ATOM 0 HA ILE A 47 2.048 -5.224 4.704 1.00 0.00 H new ATOM 0 HB ILE A 47 1.039 -7.478 6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.234 -5.452 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.002 -7.153 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.116 -5.708 7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.651 -5.564 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.762 -4.471 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.336 -6.701 4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.564 -7.762 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.799 -6.035 6.276 1.00 0.00 H new ATOM 776 N PRO A 48 4.365 -6.981 6.332 1.00 0.00 N ATOM 777 CA PRO A 48 5.784 -6.958 6.642 1.00 0.00 C ATOM 778 C PRO A 48 6.794 -6.340 5.636 1.00 0.00 C ATOM 779 O PRO A 48 7.915 -6.213 6.077 1.00 0.00 O ATOM 780 CB PRO A 48 6.124 -8.118 7.598 1.00 0.00 C ATOM 781 CG PRO A 48 4.796 -8.888 7.702 1.00 0.00 C ATOM 782 CD PRO A 48 3.862 -8.322 6.601 1.00 0.00 C ATOM 0 HA PRO A 48 6.039 -6.069 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.923 -8.745 7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.456 -7.754 8.570 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.957 -9.957 7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.352 -8.760 8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.889 -8.941 5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.826 -8.295 6.938 1.00 0.00 H new ATOM 790 N HIS A 49 6.645 -6.006 4.295 1.00 0.00 N ATOM 791 CA HIS A 49 7.779 -5.367 3.512 1.00 0.00 C ATOM 792 C HIS A 49 8.312 -4.095 4.153 1.00 0.00 C ATOM 793 O HIS A 49 9.500 -3.936 4.433 1.00 0.00 O ATOM 794 CB HIS A 49 7.331 -4.801 2.077 1.00 0.00 C ATOM 795 CG HIS A 49 8.211 -3.760 1.285 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.408 -2.430 1.658 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.035 -3.928 0.211 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.356 -1.896 0.860 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.761 -2.765 -0.042 1.00 0.00 N ATOM 0 H HIS A 49 5.792 -6.161 3.758 1.00 0.00 H new ATOM 0 HA HIS A 49 8.498 -6.185 3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.199 -5.664 1.424 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.348 -4.348 2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.114 -4.838 -0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.733 -0.888 0.950 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.458 -2.618 -0.772 1.00 0.00 H new ATOM 807 N VAL A 50 7.350 -3.198 4.486 1.00 0.00 N ATOM 808 CA VAL A 50 7.582 -1.954 5.188 1.00 0.00 C ATOM 809 C VAL A 50 7.810 -2.195 6.684 1.00 0.00 C ATOM 810 O VAL A 50 8.703 -1.597 7.274 1.00 0.00 O ATOM 811 CB VAL A 50 6.586 -0.831 4.800 1.00 0.00 C ATOM 812 CG1 VAL A 50 6.004 -0.940 3.368 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.629 -0.412 5.928 1.00 0.00 C ATOM 0 H VAL A 50 6.367 -3.345 4.257 1.00 0.00 H new ATOM 0 HA VAL A 50 8.525 -1.532 4.841 1.00 0.00 H new ATOM 0 HB VAL A 50 7.197 0.066 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.319 -0.111 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.816 -0.902 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.467 -1.883 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.968 0.377 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.034 -1.271 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.206 -0.045 6.777 1.00 0.00 H new ATOM 823 N ARG A 51 7.023 -3.130 7.305 1.00 0.00 N ATOM 824 CA ARG A 51 6.993 -3.606 8.673 1.00 0.00 C ATOM 825 C ARG A 51 8.121 -4.587 9.112 1.00 0.00 C ATOM 826 O ARG A 51 8.421 -4.688 10.282 1.00 0.00 O ATOM 827 CB ARG A 51 5.512 -4.000 8.919 1.00 0.00 C ATOM 828 CG ARG A 51 5.086 -4.830 10.131 1.00 0.00 C ATOM 829 CD ARG A 51 3.703 -5.459 9.863 1.00 0.00 C ATOM 830 NE ARG A 51 3.057 -5.884 11.151 1.00 0.00 N ATOM 831 CZ ARG A 51 2.044 -6.803 11.224 1.00 0.00 C ATOM 832 NH1 ARG A 51 1.549 -7.393 10.099 1.00 0.00 N ATOM 833 NH2 ARG A 51 1.537 -7.143 12.445 1.00 0.00 N ATOM 0 H ARG A 51 6.310 -3.613 6.758 1.00 0.00 H new ATOM 0 HA ARG A 51 7.286 -2.829 9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.942 -3.072 8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.180 -4.542 8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.821 -5.611 10.327 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.045 -4.201 11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.064 -4.741 9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.811 -6.319 9.203 1.00 0.00 H new ATOM 0 HE ARG A 51 3.391 -5.465 12.019 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.933 -7.152 9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.794 -8.075 10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.913 -6.714 13.291 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.783 -7.826 12.512 1.00 0.00 H new ATOM 847 N ASP A 52 8.854 -5.347 8.262 1.00 0.00 N ATOM 848 CA ASP A 52 10.138 -6.034 8.553 1.00 0.00 C ATOM 849 C ASP A 52 11.380 -5.121 8.531 1.00 0.00 C ATOM 850 O ASP A 52 12.466 -5.551 8.901 1.00 0.00 O ATOM 851 CB ASP A 52 10.448 -7.265 7.639 1.00 0.00 C ATOM 852 CG ASP A 52 9.534 -8.457 7.943 1.00 0.00 C ATOM 853 OD1 ASP A 52 9.023 -8.559 9.090 1.00 0.00 O ATOM 854 OD2 ASP A 52 9.366 -9.303 7.024 1.00 0.00 O ATOM 0 H ASP A 52 8.549 -5.506 7.302 1.00 0.00 H new ATOM 0 HA ASP A 52 9.959 -6.378 9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.332 -6.978 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.488 -7.563 7.774 1.00 0.00 H new ATOM 859 N SER A 53 11.242 -3.882 7.972 1.00 0.00 N ATOM 860 CA SER A 53 12.267 -2.891 7.613 1.00 0.00 C ATOM 861 C SER A 53 12.636 -1.865 8.648 1.00 0.00 C ATOM 862 O SER A 53 13.661 -1.196 8.514 1.00 0.00 O ATOM 863 CB SER A 53 11.914 -2.088 6.360 1.00 0.00 C ATOM 864 OG SER A 53 11.794 -2.926 5.211 1.00 0.00 O ATOM 0 H SER A 53 10.312 -3.531 7.745 1.00 0.00 H new ATOM 0 HA SER A 53 13.119 -3.557 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.977 -1.556 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.682 -1.335 6.182 1.00 0.00 H new ATOM 0 HG SER A 53 10.849 -3.013 4.967 1.00 0.00 H new ATOM 870 N LEU A 54 11.796 -1.688 9.715 1.00 0.00 N ATOM 871 CA LEU A 54 11.805 -0.684 10.773 1.00 0.00 C ATOM 872 C LEU A 54 13.034 -0.839 11.680 1.00 0.00 C ATOM 873 O LEU A 54 13.475 0.100 12.341 1.00 0.00 O ATOM 874 CB LEU A 54 10.511 -0.830 11.680 1.00 0.00 C ATOM 875 CG LEU A 54 9.899 -2.209 12.110 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.419 -2.209 11.724 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.583 -3.558 11.846 1.00 0.00 C ATOM 0 H LEU A 54 11.015 -2.331 9.848 1.00 0.00 H new ATOM 0 HA LEU A 54 11.828 0.292 10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.721 -0.288 12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.716 -0.289 11.167 1.00 0.00 H new ATOM 0 HG LEU A 54 10.101 -2.210 13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.968 -3.158 12.012 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.909 -1.394 12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.324 -2.074 10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.962 -4.364 12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.719 -3.693 10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.555 -3.576 12.340 1.00 0.00 H new ATOM 889 N ILE A 55 13.578 -2.072 11.609 1.00 0.00 N ATOM 890 CA ILE A 55 14.835 -2.619 12.116 1.00 0.00 C ATOM 891 C ILE A 55 15.047 -3.785 11.154 1.00 0.00 C ATOM 892 O ILE A 55 14.094 -4.504 10.893 1.00 0.00 O ATOM 893 CB ILE A 55 14.825 -3.058 13.589 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.750 -1.876 14.569 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.041 -3.925 13.976 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.372 -1.846 15.202 1.00 0.00 C ATOM 0 H ILE A 55 13.062 -2.805 11.122 1.00 0.00 H new ATOM 0 HA ILE A 55 15.634 -1.878 12.137 1.00 0.00 H new ATOM 0 HB ILE A 55 13.918 -3.657 13.674 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.516 -1.976 15.338 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.944 -0.940 14.045 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.971 -4.200 15.028 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.054 -4.828 13.365 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.958 -3.361 13.808 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.310 -1.010 15.899 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.617 -1.727 14.425 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.197 -2.779 15.738 1.00 0.00 H new ATOM 908 N GLN A 56 16.260 -4.025 10.598 1.00 0.00 N ATOM 909 CA GLN A 56 16.512 -5.089 9.608 1.00 0.00 C ATOM 910 C GLN A 56 16.868 -6.525 10.068 1.00 0.00 C ATOM 911 O GLN A 56 16.437 -7.429 9.354 1.00 0.00 O ATOM 912 CB GLN A 56 17.543 -4.666 8.510 1.00 0.00 C ATOM 913 CG GLN A 56 17.110 -3.462 7.632 1.00 0.00 C ATOM 914 CD GLN A 56 17.525 -2.114 8.223 1.00 0.00 C ATOM 915 OE1 GLN A 56 18.713 -1.795 8.318 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.518 -1.295 8.625 1.00 0.00 N ATOM 0 H GLN A 56 17.091 -3.481 10.828 1.00 0.00 H new ATOM 0 HA GLN A 56 15.494 -5.181 9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.488 -4.421 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.731 -5.521 7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.547 -3.567 6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.027 -3.480 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.548 -1.595 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.732 -0.380 9.022 1.00 0.00 H new ATOM 925 N PRO A 57 17.663 -6.867 11.112 1.00 0.00 N ATOM 926 CA PRO A 57 18.123 -8.246 11.393 1.00 0.00 C ATOM 927 C PRO A 57 17.120 -9.069 12.225 1.00 0.00 C ATOM 928 O PRO A 57 15.971 -9.189 11.835 1.00 0.00 O ATOM 929 CB PRO A 57 19.422 -7.965 12.178 1.00 0.00 C ATOM 930 CG PRO A 57 19.018 -6.755 13.022 1.00 0.00 C ATOM 931 CD PRO A 57 18.368 -5.893 11.938 1.00 0.00 C ATOM 0 HA PRO A 57 18.248 -8.852 10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.719 -8.813 12.794 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.260 -7.742 11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.324 -7.015 13.821 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.873 -6.266 13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.685 -5.158 12.364 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.112 -5.341 11.363 1.00 0.00 H new ATOM 939 N HIS A 58 17.552 -9.658 13.383 1.00 0.00 N ATOM 940 CA HIS A 58 16.802 -10.483 14.343 1.00 0.00 C ATOM 941 C HIS A 58 15.854 -9.729 15.283 1.00 0.00 C ATOM 942 O HIS A 58 14.862 -10.275 15.749 1.00 0.00 O ATOM 943 CB HIS A 58 17.736 -11.395 15.179 1.00 0.00 C ATOM 944 CG HIS A 58 18.526 -12.374 14.353 1.00 0.00 C ATOM 945 ND1 HIS A 58 19.560 -13.116 14.881 1.00 0.00 N ATOM 946 CD2 HIS A 58 18.380 -12.808 13.068 1.00 0.00 C ATOM 947 CE1 HIS A 58 19.993 -13.950 13.902 1.00 0.00 C ATOM 948 NE2 HIS A 58 19.308 -13.799 12.787 1.00 0.00 N ATOM 0 H HIS A 58 18.522 -9.548 13.680 1.00 0.00 H new ATOM 0 HA HIS A 58 16.163 -11.084 13.696 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.427 -10.770 15.745 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.137 -11.946 15.904 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.646 -12.433 12.369 1.00 0.00 H new ATOM 0 HE1 HIS A 58 20.803 -14.654 14.023 1.00 0.00 H new ATOM 0 HE2 HIS A 58 19.433 -14.302 11.908 1.00 0.00 H new ATOM 956 N ASP A 59 16.146 -8.435 15.585 1.00 0.00 N ATOM 957 CA ASP A 59 15.442 -7.473 16.414 1.00 0.00 C ATOM 958 C ASP A 59 14.401 -6.733 15.599 1.00 0.00 C ATOM 959 O ASP A 59 13.792 -5.778 16.070 1.00 0.00 O ATOM 960 CB ASP A 59 16.436 -6.452 17.035 1.00 0.00 C ATOM 961 CG ASP A 59 17.426 -7.188 17.942 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.969 -7.783 18.955 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.647 -7.163 17.635 1.00 0.00 O ATOM 0 H ASP A 59 16.987 -8.010 15.195 1.00 0.00 H new ATOM 0 HA ASP A 59 14.947 -8.019 17.217 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.972 -5.925 16.246 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.892 -5.701 17.607 1.00 0.00 H new ATOM 968 N ARG A 60 14.186 -7.167 14.318 1.00 0.00 N ATOM 969 CA ARG A 60 13.241 -6.663 13.324 1.00 0.00 C ATOM 970 C ARG A 60 11.819 -6.535 13.808 1.00 0.00 C ATOM 971 O ARG A 60 11.256 -5.452 13.878 1.00 0.00 O ATOM 972 CB ARG A 60 13.317 -7.407 11.952 1.00 0.00 C ATOM 973 CG ARG A 60 12.678 -8.800 11.742 1.00 0.00 C ATOM 974 CD ARG A 60 13.066 -9.831 12.808 1.00 0.00 C ATOM 975 NE ARG A 60 12.506 -11.176 12.436 1.00 0.00 N ATOM 976 CZ ARG A 60 12.162 -12.136 13.352 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.308 -11.917 14.691 1.00 0.00 N ATOM 978 NH2 ARG A 60 11.659 -13.327 12.916 1.00 0.00 N ATOM 0 H ARG A 60 14.727 -7.946 13.943 1.00 0.00 H new ATOM 0 HA ARG A 60 13.585 -5.643 13.153 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.876 -6.743 11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.374 -7.505 11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.593 -8.693 11.732 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.970 -9.178 10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.151 -9.889 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.684 -9.524 13.782 1.00 0.00 H new ATOM 0 HE ARG A 60 12.375 -11.386 11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.678 -11.027 15.025 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.047 -12.643 15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.542 -13.496 11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.400 -14.048 13.589 1.00 0.00 H new ATOM 992 N LYS A 61 11.205 -7.663 14.245 1.00 0.00 N ATOM 993 CA LYS A 61 9.854 -7.804 14.720 1.00 0.00 C ATOM 994 C LYS A 61 9.452 -6.992 15.934 1.00 0.00 C ATOM 995 O LYS A 61 8.292 -6.617 16.110 1.00 0.00 O ATOM 996 CB LYS A 61 9.134 -9.119 14.338 1.00 0.00 C ATOM 997 CG LYS A 61 7.778 -9.466 15.009 1.00 0.00 C ATOM 998 CD LYS A 61 7.842 -9.920 16.478 1.00 0.00 C ATOM 999 CE LYS A 61 6.506 -10.451 17.021 1.00 0.00 C ATOM 1000 NZ LYS A 61 6.080 -11.679 16.309 1.00 0.00 N ATOM 0 H LYS A 61 11.703 -8.553 14.266 1.00 0.00 H new ATOM 0 HA LYS A 61 9.248 -7.176 14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.971 -9.102 13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.821 -9.940 14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.132 -8.590 14.949 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.300 -10.254 14.428 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.598 -10.699 16.575 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.167 -9.081 17.094 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.603 -10.662 18.086 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.739 -9.684 16.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.328 -12.151 16.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.722 -11.427 15.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.891 -12.322 16.211 1.00 0.00 H new ATOM 1014 N LYS A 62 10.449 -6.628 16.779 1.00 0.00 N ATOM 1015 CA LYS A 62 10.340 -5.749 17.939 1.00 0.00 C ATOM 1016 C LYS A 62 9.669 -4.371 17.715 1.00 0.00 C ATOM 1017 O LYS A 62 9.046 -3.848 18.632 1.00 0.00 O ATOM 1018 CB LYS A 62 11.754 -5.649 18.620 1.00 0.00 C ATOM 1019 CG LYS A 62 12.439 -4.269 18.610 1.00 0.00 C ATOM 1020 CD LYS A 62 13.818 -4.307 19.278 1.00 0.00 C ATOM 1021 CE LYS A 62 14.727 -3.166 18.810 1.00 0.00 C ATOM 1022 NZ LYS A 62 14.157 -1.839 19.136 1.00 0.00 N ATOM 0 H LYS A 62 11.402 -6.968 16.649 1.00 0.00 H new ATOM 0 HA LYS A 62 9.621 -6.216 18.612 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.654 -5.970 19.657 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.418 -6.360 18.129 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.544 -3.924 17.581 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.806 -3.547 19.126 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.696 -4.250 20.360 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.297 -5.262 19.061 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.706 -3.266 19.279 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.880 -3.241 17.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.831 -1.095 18.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.267 -1.706 18.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.972 -1.782 20.158 1.00 0.00 H new ATOM 1036 N MET A 63 9.734 -3.804 16.470 1.00 0.00 N ATOM 1037 CA MET A 63 8.977 -2.621 16.066 1.00 0.00 C ATOM 1038 C MET A 63 7.865 -2.917 15.038 1.00 0.00 C ATOM 1039 O MET A 63 7.084 -2.026 14.714 1.00 0.00 O ATOM 1040 CB MET A 63 9.806 -1.330 15.831 1.00 0.00 C ATOM 1041 CG MET A 63 10.427 -0.745 17.125 1.00 0.00 C ATOM 1042 SD MET A 63 10.575 1.075 17.117 1.00 0.00 S ATOM 1043 CE MET A 63 11.673 1.295 15.687 1.00 0.00 C ATOM 0 H MET A 63 10.326 -4.175 15.727 1.00 0.00 H new ATOM 0 HA MET A 63 8.427 -2.340 16.964 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.604 -1.545 15.121 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.166 -0.576 15.372 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.818 -1.046 17.977 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.416 -1.180 17.270 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.525 2.289 15.264 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.710 1.187 16.005 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.444 0.542 14.933 1.00 0.00 H new ATOM 1053 N LYS A 64 7.680 -4.185 14.531 1.00 0.00 N ATOM 1054 CA LYS A 64 6.578 -4.687 13.673 1.00 0.00 C ATOM 1055 C LYS A 64 5.291 -4.828 14.499 1.00 0.00 C ATOM 1056 O LYS A 64 4.178 -4.534 14.062 1.00 0.00 O ATOM 1057 CB LYS A 64 7.023 -6.031 13.028 1.00 0.00 C ATOM 1058 CG LYS A 64 5.943 -7.090 12.799 1.00 0.00 C ATOM 1059 CD LYS A 64 6.339 -8.220 11.839 1.00 0.00 C ATOM 1060 CE LYS A 64 5.228 -9.255 11.611 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.819 -9.901 12.881 1.00 0.00 N ATOM 0 H LYS A 64 8.353 -4.924 14.734 1.00 0.00 H new ATOM 0 HA LYS A 64 6.360 -3.981 12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.485 -5.807 12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.796 -6.469 13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.674 -7.527 13.760 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.050 -6.600 12.411 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.622 -7.787 10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.220 -8.727 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.365 -8.770 11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.575 -10.015 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.869 -10.935 12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.457 -9.599 13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.844 -9.623 13.114 1.00 0.00 H new ATOM 1075 N LYS A 65 5.460 -5.249 15.788 1.00 0.00 N ATOM 1076 CA LYS A 65 4.402 -5.304 16.816 1.00 0.00 C ATOM 1077 C LYS A 65 3.934 -3.900 17.261 1.00 0.00 C ATOM 1078 O LYS A 65 2.782 -3.670 17.619 1.00 0.00 O ATOM 1079 CB LYS A 65 4.869 -6.191 17.996 1.00 0.00 C ATOM 1080 CG LYS A 65 3.760 -6.594 18.985 1.00 0.00 C ATOM 1081 CD LYS A 65 4.268 -7.612 20.018 1.00 0.00 C ATOM 1082 CE LYS A 65 3.185 -8.106 20.988 1.00 0.00 C ATOM 1083 NZ LYS A 65 2.655 -6.999 21.819 1.00 0.00 N ATOM 0 H LYS A 65 6.364 -5.566 16.139 1.00 0.00 H new ATOM 0 HA LYS A 65 3.517 -5.765 16.378 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.322 -7.097 17.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.648 -5.661 18.543 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.390 -5.707 19.499 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.919 -7.019 18.437 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.690 -8.469 19.492 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.077 -7.160 20.592 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.371 -8.562 20.425 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.599 -8.881 21.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.950 -7.373 22.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.434 -6.559 22.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.208 -6.288 21.206 1.00 0.00 H new ATOM 1097 N VAL A 66 4.859 -2.906 17.171 1.00 0.00 N ATOM 1098 CA VAL A 66 4.691 -1.460 17.391 1.00 0.00 C ATOM 1099 C VAL A 66 3.956 -0.798 16.221 1.00 0.00 C ATOM 1100 O VAL A 66 3.207 0.156 16.415 1.00 0.00 O ATOM 1101 CB VAL A 66 5.993 -0.714 17.721 1.00 0.00 C ATOM 1102 CG1 VAL A 66 5.720 0.773 18.077 1.00 0.00 C ATOM 1103 CG2 VAL A 66 6.667 -1.415 18.921 1.00 0.00 C ATOM 0 H VAL A 66 5.823 -3.126 16.920 1.00 0.00 H new ATOM 0 HA VAL A 66 4.074 -1.377 18.286 1.00 0.00 H new ATOM 0 HB VAL A 66 6.642 -0.734 16.846 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.662 1.271 18.305 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.243 1.268 17.231 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.063 0.825 18.945 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.594 -0.899 19.170 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.996 -1.391 19.780 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.887 -2.450 18.661 1.00 0.00 H new ATOM 1113 N TRP A 67 4.130 -1.309 14.962 1.00 0.00 N ATOM 1114 CA TRP A 67 3.495 -0.886 13.701 1.00 0.00 C ATOM 1115 C TRP A 67 1.965 -0.830 13.759 1.00 0.00 C ATOM 1116 O TRP A 67 1.347 0.120 13.302 1.00 0.00 O ATOM 1117 CB TRP A 67 3.998 -1.743 12.493 1.00 0.00 C ATOM 1118 CG TRP A 67 3.290 -1.563 11.160 1.00 0.00 C ATOM 1119 CD1 TRP A 67 2.373 -2.386 10.575 1.00 0.00 C ATOM 1120 CD2 TRP A 67 3.249 -0.332 10.436 1.00 0.00 C ATOM 1121 NE1 TRP A 67 1.842 -1.782 9.467 1.00 0.00 N ATOM 1122 CE2 TRP A 67 2.372 -0.518 9.367 1.00 0.00 C ATOM 1123 CE3 TRP A 67 3.849 0.865 10.678 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 2.119 0.481 8.479 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.539 1.881 9.810 1.00 0.00 C ATOM 1126 CH2 TRP A 67 2.735 1.685 8.705 1.00 0.00 C ATOM 0 H TRP A 67 4.771 -2.087 14.806 1.00 0.00 H new ATOM 0 HA TRP A 67 3.813 0.145 13.545 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.056 -1.525 12.344 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.925 -2.794 12.773 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.105 -3.369 10.933 1.00 0.00 H new ATOM 0 HE1 TRP A 67 1.168 -2.199 8.825 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.529 1.007 11.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.463 0.333 7.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.937 2.867 9.997 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.589 2.495 8.006 1.00 0.00 H new ATOM 1137 N ASP A 68 1.357 -1.829 14.444 1.00 0.00 N ATOM 1138 CA ASP A 68 -0.055 -2.012 14.800 1.00 0.00 C ATOM 1139 C ASP A 68 -0.658 -0.811 15.557 1.00 0.00 C ATOM 1140 O ASP A 68 -1.754 -0.342 15.265 1.00 0.00 O ATOM 1141 CB ASP A 68 -0.087 -3.278 15.698 1.00 0.00 C ATOM 1142 CG ASP A 68 0.358 -4.496 14.880 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -0.308 -4.786 13.850 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.355 -5.154 15.273 1.00 0.00 O ATOM 0 H ASP A 68 1.914 -2.608 14.795 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.657 -2.108 13.896 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.570 -3.144 16.557 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.093 -3.436 16.087 1.00 0.00 H new ATOM 1149 N ARG A 69 0.148 -0.253 16.499 1.00 0.00 N ATOM 1150 CA ARG A 69 0.000 1.015 17.195 1.00 0.00 C ATOM 1151 C ARG A 69 0.412 2.228 16.324 1.00 0.00 C ATOM 1152 O ARG A 69 -0.375 3.152 16.143 1.00 0.00 O ATOM 1153 CB ARG A 69 0.708 0.883 18.573 1.00 0.00 C ATOM 1154 CG ARG A 69 0.646 2.071 19.554 1.00 0.00 C ATOM 1155 CD ARG A 69 -0.747 2.706 19.743 1.00 0.00 C ATOM 1156 NE ARG A 69 -0.632 3.896 20.664 1.00 0.00 N ATOM 1157 CZ ARG A 69 -0.628 3.820 22.032 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -0.804 2.629 22.675 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -0.444 4.959 22.763 1.00 0.00 N ATOM 0 H ARG A 69 0.990 -0.740 16.805 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.049 1.237 17.392 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.287 0.014 19.079 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.759 0.664 18.385 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.008 1.736 20.526 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.333 2.842 19.207 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.152 3.015 18.779 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.439 1.975 20.160 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.552 4.820 20.239 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.942 1.774 22.136 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.798 2.594 23.694 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.312 5.853 22.290 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.439 4.916 23.782 1.00 0.00 H new ATOM 1173 N ALA A 70 1.641 2.262 15.707 1.00 0.00 N ATOM 1174 CA ALA A 70 2.184 3.312 14.813 1.00 0.00 C ATOM 1175 C ALA A 70 1.325 3.731 13.598 1.00 0.00 C ATOM 1176 O ALA A 70 1.296 4.894 13.186 1.00 0.00 O ATOM 1177 CB ALA A 70 3.619 3.003 14.377 1.00 0.00 C ATOM 0 H ALA A 70 2.310 1.503 15.838 1.00 0.00 H new ATOM 0 HA ALA A 70 2.163 4.192 15.456 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.979 3.797 13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.260 2.938 15.256 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.640 2.054 13.841 1.00 0.00 H new ATOM 1183 N VAL A 71 0.552 2.739 13.053 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.537 2.820 12.056 1.00 0.00 C ATOM 1185 C VAL A 71 -1.677 3.762 12.465 1.00 0.00 C ATOM 1186 O VAL A 71 -2.229 4.451 11.608 1.00 0.00 O ATOM 1187 CB VAL A 71 -1.109 1.434 11.705 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -2.518 1.404 11.062 1.00 0.00 C ATOM 1189 CG2 VAL A 71 -0.152 0.803 10.692 1.00 0.00 C ATOM 0 H VAL A 71 0.701 1.771 13.338 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.067 3.244 11.169 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.207 0.910 12.656 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.805 0.371 10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.239 1.857 11.743 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.503 1.963 10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.518 -0.185 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.094 1.433 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.839 0.711 11.136 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.011 3.862 13.799 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.020 4.736 14.423 1.00 0.00 C ATOM 1201 C ASP A 72 -2.757 6.230 14.167 1.00 0.00 C ATOM 1202 O ASP A 72 -3.675 6.924 13.747 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.289 4.332 15.914 1.00 0.00 C ATOM 1204 CG ASP A 72 -4.401 5.131 16.613 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -5.562 5.080 16.127 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -4.096 5.796 17.638 1.00 0.00 O ATOM 0 H ASP A 72 -1.538 3.287 14.496 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.973 4.568 13.920 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.547 3.274 15.947 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.365 4.453 16.480 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.492 6.737 14.311 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.080 8.070 13.830 1.00 0.00 C ATOM 1213 C PHE A 73 -0.902 8.171 12.279 1.00 0.00 C ATOM 1214 O PHE A 73 -1.353 9.145 11.668 1.00 0.00 O ATOM 1215 CB PHE A 73 0.199 8.613 14.540 1.00 0.00 C ATOM 1216 CG PHE A 73 0.394 10.139 14.559 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.449 11.106 14.007 1.00 0.00 C ATOM 1218 CD2 PHE A 73 1.534 10.593 15.185 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -0.136 12.450 14.070 1.00 0.00 C ATOM 1220 CE2 PHE A 73 1.859 11.935 15.245 1.00 0.00 C ATOM 1221 CZ PHE A 73 1.023 12.871 14.682 1.00 0.00 C ATOM 0 H PHE A 73 -0.739 6.221 14.766 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.924 8.703 14.102 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.189 8.260 15.571 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.069 8.167 14.058 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.363 10.797 13.522 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.197 9.875 15.645 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.806 13.177 13.635 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.769 12.249 15.734 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.272 13.921 14.720 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.221 7.196 11.570 1.00 0.00 N ATOM 1232 CA LEU A 74 0.006 7.165 10.086 1.00 0.00 C ATOM 1233 C LEU A 74 -1.262 7.271 9.234 1.00 0.00 C ATOM 1234 O LEU A 74 -1.295 8.067 8.299 1.00 0.00 O ATOM 1235 CB LEU A 74 0.814 5.889 9.683 1.00 0.00 C ATOM 1236 CG LEU A 74 1.227 5.747 8.195 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.723 5.441 8.105 1.00 0.00 C ATOM 1238 CD2 LEU A 74 0.443 4.651 7.451 1.00 0.00 C ATOM 0 H LEU A 74 0.194 6.390 12.038 1.00 0.00 H new ATOM 0 HA LEU A 74 0.580 8.066 9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.720 5.859 10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.221 5.015 9.953 1.00 0.00 H new ATOM 0 HG LEU A 74 0.993 6.696 7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.012 5.341 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.289 6.253 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.936 4.510 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.779 4.603 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.615 3.689 7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.621 4.884 7.476 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.365 6.539 9.581 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.677 6.627 8.941 1.00 0.00 C ATOM 1252 C ALA A 75 -4.450 7.966 9.035 1.00 0.00 C ATOM 1253 O ALA A 75 -5.454 8.135 8.353 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.571 5.467 9.424 1.00 0.00 C ATOM 0 H ALA A 75 -2.344 5.857 10.339 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.439 6.559 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.548 5.536 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.106 4.516 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.693 5.527 10.506 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.023 8.942 9.896 1.00 0.00 N ATOM 1261 CA ALA A 76 -4.661 10.236 10.086 1.00 0.00 C ATOM 1262 C ALA A 76 -4.217 11.352 9.122 1.00 0.00 C ATOM 1263 O ALA A 76 -4.964 12.303 8.911 1.00 0.00 O ATOM 1264 CB ALA A 76 -4.444 10.695 11.551 1.00 0.00 C ATOM 0 H ALA A 76 -3.198 8.821 10.483 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.715 10.076 9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.919 11.664 11.703 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.884 9.965 12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.376 10.779 11.752 1.00 0.00 H new ATOM 1270 N ASN A 77 -2.986 11.299 8.541 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.472 12.382 7.694 1.00 0.00 C ATOM 1272 C ASN A 77 -1.740 11.822 6.473 1.00 0.00 C ATOM 1273 O ASN A 77 -0.748 12.381 5.998 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.573 13.332 8.562 1.00 0.00 C ATOM 1275 CG ASN A 77 -1.479 14.779 8.059 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -1.963 15.714 8.698 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -0.833 14.981 6.885 1.00 0.00 N ATOM 0 H ASN A 77 -2.343 10.515 8.651 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.301 12.972 7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.960 13.342 9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.568 12.914 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.739 15.925 6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.441 14.189 6.376 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.229 10.687 5.918 1.00 0.00 N ATOM 1285 CA GLU A 78 -1.615 10.040 4.772 1.00 0.00 C ATOM 1286 C GLU A 78 -2.654 9.183 4.058 1.00 0.00 C ATOM 1287 O GLU A 78 -3.668 8.779 4.628 1.00 0.00 O ATOM 1288 CB GLU A 78 -0.382 9.197 5.228 1.00 0.00 C ATOM 1289 CG GLU A 78 0.467 8.566 4.111 1.00 0.00 C ATOM 1290 CD GLU A 78 1.777 8.032 4.684 1.00 0.00 C ATOM 1291 OE1 GLU A 78 2.597 8.870 5.142 1.00 0.00 O ATOM 1292 OE2 GLU A 78 1.977 6.788 4.667 1.00 0.00 O ATOM 0 H GLU A 78 -3.060 10.208 6.264 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.254 10.792 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.265 9.836 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.736 8.399 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.087 7.757 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.674 9.307 3.339 1.00 0.00 H new ATOM 1299 N SER A 79 -2.411 8.880 2.766 1.00 0.00 N ATOM 1300 CA SER A 79 -3.236 7.995 1.952 1.00 0.00 C ATOM 1301 C SER A 79 -2.408 7.605 0.750 1.00 0.00 C ATOM 1302 O SER A 79 -2.621 8.076 -0.362 1.00 0.00 O ATOM 1303 CB SER A 79 -4.615 8.569 1.519 1.00 0.00 C ATOM 1304 OG SER A 79 -5.538 8.500 2.605 1.00 0.00 O ATOM 0 H SER A 79 -1.613 9.259 2.257 1.00 0.00 H new ATOM 0 HA SER A 79 -3.507 7.138 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.501 9.603 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.000 8.007 0.668 1.00 0.00 H new ATOM 0 HG SER A 79 -5.053 8.581 3.452 1.00 0.00 H new ATOM 1310 N ARG A 80 -1.408 6.713 0.973 1.00 0.00 N ATOM 1311 CA ARG A 80 -0.528 6.163 -0.067 1.00 0.00 C ATOM 1312 C ARG A 80 -0.884 4.710 -0.268 1.00 0.00 C ATOM 1313 O ARG A 80 -2.022 4.474 -0.667 1.00 0.00 O ATOM 1314 CB ARG A 80 0.997 6.479 0.084 1.00 0.00 C ATOM 1315 CG ARG A 80 1.387 7.897 -0.399 1.00 0.00 C ATOM 1316 CD ARG A 80 1.144 9.019 0.616 1.00 0.00 C ATOM 1317 NE ARG A 80 1.465 10.336 -0.035 1.00 0.00 N ATOM 1318 CZ ARG A 80 1.177 11.544 0.542 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.614 11.614 1.783 1.00 0.00 N ATOM 1320 NH2 ARG A 80 1.460 12.695 -0.136 1.00 0.00 N ATOM 0 H ARG A 80 -1.195 6.355 1.904 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.722 6.698 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.280 6.370 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.570 5.742 -0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.443 7.894 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.827 8.122 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.107 9.006 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.767 8.872 1.498 1.00 0.00 H new ATOM 0 HE ARG A 80 1.918 10.329 -0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.401 10.758 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.406 12.522 2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.882 12.650 -1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.249 13.600 0.285 1.00 0.00 H new ATOM 1334 N VAL A 81 0.005 3.658 -0.095 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.300 2.303 -0.632 1.00 0.00 C ATOM 1336 C VAL A 81 -1.466 1.494 -0.053 1.00 0.00 C ATOM 1337 O VAL A 81 -1.858 1.623 1.105 1.00 0.00 O ATOM 1338 CB VAL A 81 0.839 1.480 -1.314 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.974 2.342 -1.875 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.351 0.159 -0.691 1.00 0.00 C ATOM 0 H VAL A 81 0.897 3.733 0.393 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.801 2.722 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 81 0.246 1.071 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.727 1.700 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.575 3.025 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.429 2.915 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.141 -0.256 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.744 0.355 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.529 -0.554 -0.624 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.120 0.722 -0.961 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.413 0.082 -0.798 1.00 0.00 C ATOM 1352 C ARG A 82 -3.299 -1.398 -0.539 1.00 0.00 C ATOM 1353 O ARG A 82 -2.338 -2.035 -0.950 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.273 0.316 -2.075 1.00 0.00 C ATOM 1355 CG ARG A 82 -3.578 -0.101 -3.387 1.00 0.00 C ATOM 1356 CD ARG A 82 -4.522 -0.536 -4.518 1.00 0.00 C ATOM 1357 NE ARG A 82 -5.548 0.536 -4.752 1.00 0.00 N ATOM 1358 CZ ARG A 82 -6.543 0.424 -5.685 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -6.644 -0.687 -6.471 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -7.442 1.440 -5.831 1.00 0.00 N ATOM 0 H ARG A 82 -1.716 0.530 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.888 0.531 0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.206 -0.239 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.535 1.372 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.974 0.735 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.893 -0.921 -3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.954 -0.717 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.013 -1.474 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.501 1.386 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.973 -1.448 -6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.391 -0.757 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.369 2.273 -5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.187 1.366 -6.524 1.00 0.00 H new ATOM 1374 N THR A 83 -4.321 -1.959 0.137 1.00 0.00 N ATOM 1375 CA THR A 83 -4.433 -3.360 0.561 1.00 0.00 C ATOM 1376 C THR A 83 -5.377 -4.103 -0.363 1.00 0.00 C ATOM 1377 O THR A 83 -6.531 -3.721 -0.547 1.00 0.00 O ATOM 1378 CB THR A 83 -4.932 -3.562 2.002 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.233 -2.734 2.916 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.661 -4.998 2.464 1.00 0.00 C ATOM 0 H THR A 83 -5.135 -1.411 0.416 1.00 0.00 H new ATOM 0 HA THR A 83 -3.416 -3.749 0.516 1.00 0.00 H new ATOM 0 HB THR A 83 -5.996 -3.325 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.278 -2.737 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.020 -5.125 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.181 -5.696 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.590 -5.196 2.428 1.00 0.00 H new ATOM 1388 N GLU A 84 -4.911 -5.205 -0.972 1.00 0.00 N ATOM 1389 CA GLU A 84 -5.688 -5.952 -1.935 1.00 0.00 C ATOM 1390 C GLU A 84 -5.465 -7.421 -1.656 1.00 0.00 C ATOM 1391 O GLU A 84 -4.422 -7.801 -1.121 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.245 -5.463 -3.356 1.00 0.00 C ATOM 1393 CG GLU A 84 -5.640 -6.367 -4.542 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.489 -5.635 -5.880 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.994 -4.476 -5.897 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.868 -6.246 -6.916 1.00 0.00 O ATOM 0 H GLU A 84 -3.983 -5.591 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.765 -5.793 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.668 -4.473 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.161 -5.351 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.017 -7.261 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.672 -6.698 -4.421 1.00 0.00 H new ATOM 1403 N THR A 85 -6.464 -8.276 -2.008 1.00 0.00 N ATOM 1404 CA THR A 85 -6.482 -9.726 -1.912 1.00 0.00 C ATOM 1405 C THR A 85 -5.879 -10.305 -3.201 1.00 0.00 C ATOM 1406 O THR A 85 -6.472 -10.213 -4.274 1.00 0.00 O ATOM 1407 CB THR A 85 -7.940 -10.224 -1.778 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.880 -9.260 -2.268 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.229 -10.469 -0.290 1.00 0.00 C ATOM 0 H THR A 85 -7.338 -7.920 -2.395 1.00 0.00 H new ATOM 0 HA THR A 85 -5.909 -10.044 -1.041 1.00 0.00 H new ATOM 0 HB THR A 85 -8.047 -11.135 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.790 -9.610 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.254 -10.821 -0.172 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.540 -11.220 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.099 -9.539 0.264 1.00 0.00 H new ATOM 1417 N ARG A 86 -4.681 -10.932 -3.142 1.00 0.00 N ATOM 1418 CA ARG A 86 -4.014 -11.475 -4.320 1.00 0.00 C ATOM 1419 C ARG A 86 -3.573 -12.893 -4.013 1.00 0.00 C ATOM 1420 O ARG A 86 -3.201 -13.195 -2.878 1.00 0.00 O ATOM 1421 CB ARG A 86 -2.829 -10.556 -4.733 1.00 0.00 C ATOM 1422 CG ARG A 86 -2.156 -10.883 -6.084 1.00 0.00 C ATOM 1423 CD ARG A 86 -3.110 -10.834 -7.293 1.00 0.00 C ATOM 1424 NE ARG A 86 -2.319 -11.072 -8.553 1.00 0.00 N ATOM 1425 CZ ARG A 86 -2.094 -12.311 -9.094 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -2.634 -13.434 -8.539 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -1.314 -12.421 -10.210 1.00 0.00 N ATOM 0 H ARG A 86 -4.162 -11.069 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.694 -11.507 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.188 -9.528 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.070 -10.602 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.340 -10.180 -6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.713 -11.877 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.888 -11.590 -7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.609 -9.866 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.927 -10.262 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.218 -13.361 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.454 -14.347 -8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.906 -11.586 -10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.139 -13.338 -10.622 1.00 0.00 H new ATOM 1441 N ARG A 87 -3.615 -13.807 -5.029 1.00 0.00 N ATOM 1442 CA ARG A 87 -3.260 -15.218 -4.911 1.00 0.00 C ATOM 1443 C ARG A 87 -1.776 -15.483 -5.191 1.00 0.00 C ATOM 1444 O ARG A 87 -1.287 -15.235 -6.292 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.124 -16.107 -5.840 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.103 -17.608 -5.465 1.00 0.00 C ATOM 1447 CD ARG A 87 -4.779 -18.511 -6.508 1.00 0.00 C ATOM 1448 NE ARG A 87 -3.994 -18.429 -7.796 1.00 0.00 N ATOM 1449 CZ ARG A 87 -3.304 -19.467 -8.367 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -3.317 -20.716 -7.821 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -2.590 -19.241 -9.510 1.00 0.00 N ATOM 0 H ARG A 87 -3.908 -13.554 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.461 -15.483 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.154 -15.750 -5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.773 -15.993 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.069 -17.927 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.600 -17.741 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.815 -19.540 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.809 -18.195 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.976 -17.531 -8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.848 -20.895 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.795 -21.472 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.575 -18.310 -9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.072 -20.003 -9.947 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.018 -15.999 -4.191 1.00 0.00 N ATOM 1466 CA ILE A 88 0.410 -16.298 -4.312 1.00 0.00 C ATOM 1467 C ILE A 88 0.648 -17.662 -3.699 1.00 0.00 C ATOM 1468 O ILE A 88 0.288 -17.905 -2.550 1.00 0.00 O ATOM 1469 CB ILE A 88 1.354 -15.231 -3.730 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.864 -14.582 -2.404 1.00 0.00 C ATOM 1471 CG2 ILE A 88 1.597 -14.197 -4.848 1.00 0.00 C ATOM 1472 CD1 ILE A 88 0.111 -13.250 -2.565 1.00 0.00 C ATOM 0 H ILE A 88 -1.398 -16.218 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 88 0.661 -16.294 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 88 2.286 -15.708 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.212 -15.289 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.727 -14.417 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.264 -13.416 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.052 -14.690 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.647 -13.753 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.188 -12.880 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.762 -12.520 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.776 -13.405 -3.180 1.00 0.00 H new ATOM 1484 N GLY A 89 1.200 -18.630 -4.505 1.00 0.00 N ATOM 1485 CA GLY A 89 1.442 -20.059 -4.113 1.00 0.00 C ATOM 1486 C GLY A 89 0.176 -20.854 -3.862 1.00 0.00 C ATOM 1487 O GLY A 89 0.169 -21.830 -3.122 1.00 0.00 O ATOM 0 H GLY A 89 1.493 -18.432 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.016 -20.548 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.055 -20.079 -3.212 1.00 0.00 H new ATOM 1491 N GLY A 90 -0.947 -20.377 -4.454 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.313 -20.885 -4.224 1.00 0.00 C ATOM 1493 C GLY A 90 -3.036 -20.269 -3.034 1.00 0.00 C ATOM 1494 O GLY A 90 -4.089 -20.768 -2.652 1.00 0.00 O ATOM 0 H GLY A 90 -0.921 -19.607 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.906 -20.709 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.264 -21.965 -4.081 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.516 -19.186 -2.389 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.111 -18.606 -1.197 1.00 0.00 C ATOM 1500 C ALA A 91 -3.341 -17.100 -1.374 1.00 0.00 C ATOM 1501 O ALA A 91 -2.503 -16.388 -1.924 1.00 0.00 O ATOM 1502 CB ALA A 91 -2.192 -18.893 0.007 1.00 0.00 C ATOM 0 H ALA A 91 -1.671 -18.706 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.087 -19.058 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.628 -18.462 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.085 -19.970 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.212 -18.450 -0.169 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.508 -16.589 -0.903 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.018 -15.225 -0.947 1.00 0.00 C ATOM 1510 C ASP A 92 -4.677 -14.474 0.344 1.00 0.00 C ATOM 1511 O ASP A 92 -5.238 -14.749 1.406 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.567 -15.304 -1.147 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.235 -13.980 -1.523 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -6.841 -13.402 -2.569 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.168 -13.563 -0.789 1.00 0.00 O ATOM 0 H ASP A 92 -5.175 -17.203 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.557 -14.677 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.782 -16.037 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.019 -15.674 -0.227 1.00 0.00 H new ATOM 1520 N PHE A 93 -3.745 -13.495 0.285 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.329 -12.709 1.437 1.00 0.00 C ATOM 1522 C PHE A 93 -3.645 -11.267 1.125 1.00 0.00 C ATOM 1523 O PHE A 93 -3.916 -10.898 -0.021 1.00 0.00 O ATOM 1524 CB PHE A 93 -1.806 -12.830 1.774 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.379 -14.272 1.909 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.897 -15.094 2.897 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.435 -14.800 1.045 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.492 -16.413 3.001 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.040 -16.117 1.130 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.564 -16.925 2.117 1.00 0.00 C ATOM 0 H PHE A 93 -3.265 -13.237 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.862 -13.086 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.220 -12.348 0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.595 -12.299 2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.624 -14.701 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.001 -14.166 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.903 -17.043 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.677 -16.515 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.249 -17.955 2.198 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.565 -10.388 2.159 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.756 -8.959 2.009 1.00 0.00 C ATOM 1542 C LEU A 94 -2.359 -8.391 1.801 1.00 0.00 C ATOM 1543 O LEU A 94 -1.520 -8.418 2.694 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.465 -8.352 3.243 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.008 -8.320 3.124 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.584 -9.738 3.073 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.648 -7.591 4.326 1.00 0.00 C ATOM 0 H LEU A 94 -3.364 -10.674 3.117 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.406 -8.717 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.190 -8.927 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.101 -7.336 3.397 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.240 -7.787 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.670 -9.687 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.178 -10.265 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.315 -10.273 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.732 -7.585 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.382 -8.107 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.282 -6.565 4.366 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.077 -7.911 0.579 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.755 -7.452 0.181 1.00 0.00 C ATOM 1561 C VAL A 95 -0.851 -5.966 -0.125 1.00 0.00 C ATOM 1562 O VAL A 95 -1.912 -5.460 -0.505 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.195 -8.230 -1.015 1.00 0.00 C ATOM 1564 CG1 VAL A 95 0.203 -9.659 -0.582 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.216 -8.320 -2.178 1.00 0.00 C ATOM 0 H VAL A 95 -2.774 -7.834 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.055 -7.630 0.998 1.00 0.00 H new ATOM 0 HB VAL A 95 0.681 -7.687 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.599 -10.202 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.964 -9.605 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.674 -10.180 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.778 -8.879 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.117 -8.828 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.473 -7.316 -2.515 1.00 0.00 H new ATOM 1575 N TRP A 96 0.278 -5.235 0.009 1.00 0.00 N ATOM 1576 CA TRP A 96 0.257 -3.774 -0.254 1.00 0.00 C ATOM 1577 C TRP A 96 0.837 -3.450 -1.636 1.00 0.00 C ATOM 1578 O TRP A 96 1.928 -3.907 -1.962 1.00 0.00 O ATOM 1579 CB TRP A 96 1.206 -3.118 0.783 1.00 0.00 C ATOM 1580 CG TRP A 96 0.562 -2.742 2.089 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.740 -2.465 2.372 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.305 -2.488 3.288 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.860 -2.070 3.674 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.389 -2.091 4.261 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.638 -2.571 3.554 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.798 -1.776 5.527 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 3.028 -2.320 4.840 1.00 0.00 C ATOM 1588 CH2 TRP A 96 2.144 -1.905 5.811 1.00 0.00 C ATOM 0 H TRP A 96 1.184 -5.612 0.287 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.771 -3.416 -0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.028 -3.805 0.985 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.641 -2.222 0.339 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.557 -2.546 1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.729 -1.803 4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.353 -2.823 2.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.096 -1.439 6.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.067 -2.452 5.104 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.506 -1.678 6.803 1.00 0.00 H new ATOM 1599 N ARG A 97 0.189 -2.610 -2.506 1.00 0.00 N ATOM 1600 CA ARG A 97 0.785 -2.223 -3.783 1.00 0.00 C ATOM 1601 C ARG A 97 0.379 -0.834 -4.211 1.00 0.00 C ATOM 1602 O ARG A 97 -0.547 -0.259 -3.645 1.00 0.00 O ATOM 1603 CB ARG A 97 0.529 -3.161 -4.979 1.00 0.00 C ATOM 1604 CG ARG A 97 -0.737 -2.969 -5.866 1.00 0.00 C ATOM 1605 CD ARG A 97 -0.692 -3.693 -7.220 1.00 0.00 C ATOM 1606 NE ARG A 97 -2.035 -3.552 -7.882 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.318 -4.083 -9.112 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -1.369 -4.772 -9.810 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -3.567 -3.927 -9.640 1.00 0.00 N ATOM 0 H ARG A 97 -0.731 -2.206 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 97 1.848 -2.282 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.397 -3.093 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.501 -4.179 -4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.608 -3.319 -5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.880 -1.903 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.088 -3.267 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.448 -4.746 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.768 -3.038 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.436 -4.896 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.592 -5.163 -10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.281 -3.418 -9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.786 -4.319 -10.556 1.00 0.00 H new ATOM 1623 N TRP A 98 1.064 -0.292 -5.263 1.00 0.00 N ATOM 1624 CA TRP A 98 0.890 1.081 -5.742 1.00 0.00 C ATOM 1625 C TRP A 98 0.459 1.412 -7.165 1.00 0.00 C ATOM 1626 O TRP A 98 0.757 0.725 -8.136 1.00 0.00 O ATOM 1627 CB TRP A 98 1.998 2.014 -5.238 1.00 0.00 C ATOM 1628 CG TRP A 98 1.545 3.460 -5.027 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.254 4.516 -5.465 1.00 0.00 C ATOM 1630 CD2 TRP A 98 0.291 4.024 -4.530 1.00 0.00 C ATOM 1631 NE1 TRP A 98 1.449 5.582 -5.586 1.00 0.00 N ATOM 1632 CE2 TRP A 98 0.334 5.381 -4.825 1.00 0.00 C ATOM 1633 CE3 TRP A 98 -0.809 3.494 -3.898 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 -0.678 6.237 -4.492 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 -1.835 4.357 -3.565 1.00 0.00 C ATOM 1636 CH2 TRP A 98 -1.768 5.711 -3.831 1.00 0.00 C ATOM 0 H TRP A 98 1.757 -0.818 -5.796 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.070 1.273 -5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 98 2.387 1.625 -4.297 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.821 2.002 -5.952 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.311 4.507 -5.686 1.00 0.00 H new ATOM 0 HE1 TRP A 98 1.639 6.408 -6.154 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.869 2.440 -3.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -0.626 7.287 -4.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.716 3.961 -3.082 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.573 6.360 -3.520 1.00 0.00 H new ATOM 1647 N ILE A 99 -0.340 2.514 -7.248 1.00 0.00 N ATOM 1648 CA ILE A 99 -1.070 3.101 -8.336 1.00 0.00 C ATOM 1649 C ILE A 99 -0.480 4.499 -8.477 1.00 0.00 C ATOM 1650 O ILE A 99 -0.410 5.281 -7.538 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.560 3.061 -7.925 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -3.001 4.057 -6.797 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.794 1.607 -7.451 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -4.171 3.570 -5.927 1.00 0.00 C ATOM 0 H ILE A 99 -0.486 3.071 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.999 2.600 -9.302 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.158 3.375 -8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.145 4.255 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.279 5.005 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.832 1.489 -7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.580 0.919 -8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.135 1.388 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.404 4.324 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.046 3.401 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.894 2.639 -5.432 1.00 0.00 H new ATOM 1666 N GLN A 100 0.086 4.833 -9.644 1.00 0.00 N ATOM 1667 CA GLN A 100 0.934 5.998 -9.853 1.00 0.00 C ATOM 1668 C GLN A 100 0.151 7.126 -10.526 1.00 0.00 C ATOM 1669 O GLN A 100 -0.353 6.909 -11.629 1.00 0.00 O ATOM 1670 CB GLN A 100 2.197 5.585 -10.699 1.00 0.00 C ATOM 1671 CG GLN A 100 2.211 4.088 -11.077 1.00 0.00 C ATOM 1672 CD GLN A 100 1.179 3.657 -12.124 1.00 0.00 C ATOM 1673 OE1 GLN A 100 0.827 4.376 -13.057 1.00 0.00 O ATOM 1674 NE2 GLN A 100 0.643 2.423 -11.921 1.00 0.00 N ATOM 0 H GLN A 100 -0.042 4.278 -10.490 1.00 0.00 H new ATOM 0 HA GLN A 100 1.273 6.374 -8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.228 6.184 -11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.098 5.819 -10.133 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.204 3.835 -11.447 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.050 3.502 -10.172 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.959 1.853 -11.136 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.074 2.068 -12.553 1.00 0.00 H new