USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0925) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -120:sc= -0.937 USER MOD Single : A 24 MET CE :methyl 174:sc= 0 (180deg=-0.0563) USER MOD Single : A 25 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0146 (180deg=-0.132) USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0354) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.21 K(o=-5.2,f=-11!) USER MOD Single : A 50 THR OG1 : rot -96:sc= 0.408 USER MOD Single : A 54 CYS SG : rot 124:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.27 K(o=-0.27,f=-0.93) USER MOD Single : A 56 MET CE :methyl -150:sc= -0.551 (180deg=-2.52!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc=-0.00725 (180deg=-0.0345) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.15) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.895 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 1.669 1.004 -11.558 1.00 0.00 N ATOM 247 CA ASP A 19 0.320 1.152 -11.026 1.00 0.00 C ATOM 248 C ASP A 19 0.351 1.756 -9.625 1.00 0.00 C ATOM 249 O ASP A 19 -0.440 2.643 -9.302 1.00 0.00 O ATOM 250 CB ASP A 19 -0.391 -0.201 -10.995 1.00 0.00 C ATOM 251 CG ASP A 19 -0.796 -0.674 -12.378 1.00 0.00 C ATOM 252 OD1 ASP A 19 0.103 -0.914 -13.210 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.013 -0.804 -12.627 1.00 0.00 O ATOM 0 HA ASP A 19 -0.230 1.827 -11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.265 -0.942 -10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.278 -0.128 -10.365 1.00 0.00 H new ATOM 258 N PHE A 20 1.270 1.269 -8.797 1.00 0.00 N ATOM 259 CA PHE A 20 1.403 1.759 -7.430 1.00 0.00 C ATOM 260 C PHE A 20 1.749 3.245 -7.416 1.00 0.00 C ATOM 261 O PHE A 20 1.086 4.041 -6.751 1.00 0.00 O ATOM 262 CB PHE A 20 2.479 0.967 -6.684 1.00 0.00 C ATOM 263 CG PHE A 20 2.508 1.238 -5.207 1.00 0.00 C ATOM 264 CD1 PHE A 20 2.857 2.490 -4.726 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.187 0.242 -4.300 1.00 0.00 C ATOM 266 CE1 PHE A 20 2.884 2.743 -3.368 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.212 0.489 -2.941 1.00 0.00 C ATOM 268 CZ PHE A 20 2.562 1.741 -2.474 1.00 0.00 C ATOM 0 H PHE A 20 1.933 0.536 -9.049 1.00 0.00 H new ATOM 0 HA PHE A 20 0.446 1.622 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.313 -0.098 -6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.454 1.206 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.111 3.277 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.914 -0.739 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.157 3.723 -3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.958 -0.296 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.584 1.936 -1.412 1.00 0.00 H new ATOM 278 N GLU A 21 2.792 3.611 -8.154 1.00 0.00 N ATOM 279 CA GLU A 21 3.227 5.001 -8.226 1.00 0.00 C ATOM 280 C GLU A 21 2.054 5.922 -8.549 1.00 0.00 C ATOM 281 O GLU A 21 2.070 7.105 -8.214 1.00 0.00 O ATOM 282 CB GLU A 21 4.323 5.162 -9.281 1.00 0.00 C ATOM 283 CG GLU A 21 5.700 4.742 -8.798 1.00 0.00 C ATOM 284 CD GLU A 21 6.779 4.972 -9.838 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.478 4.838 -11.043 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.923 5.285 -9.448 1.00 0.00 O ATOM 0 H GLU A 21 3.351 2.965 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 21 3.628 5.280 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.060 4.572 -10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.361 6.204 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.948 5.297 -7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.680 3.686 -8.528 1.00 0.00 H new ATOM 293 N ASN A 22 1.038 5.369 -9.204 1.00 0.00 N ATOM 294 CA ASN A 22 -0.143 6.140 -9.575 1.00 0.00 C ATOM 295 C ASN A 22 -1.120 6.234 -8.407 1.00 0.00 C ATOM 296 O ASN A 22 -1.696 7.291 -8.150 1.00 0.00 O ATOM 297 CB ASN A 22 -0.834 5.504 -10.783 1.00 0.00 C ATOM 298 CG ASN A 22 -0.114 5.801 -12.084 1.00 0.00 C ATOM 299 OD1 ASN A 22 -0.083 6.942 -12.543 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.471 4.770 -12.684 1.00 0.00 N ATOM 0 H ASN A 22 1.009 4.390 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 22 0.179 7.148 -9.838 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.889 4.425 -10.640 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.859 5.870 -10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.972 4.908 -13.562 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.420 3.841 -12.267 1.00 0.00 H new ATOM 307 N SER A 23 -1.300 5.122 -7.702 1.00 0.00 N ATOM 308 CA SER A 23 -2.209 5.078 -6.563 1.00 0.00 C ATOM 309 C SER A 23 -1.729 6.001 -5.448 1.00 0.00 C ATOM 310 O SER A 23 -2.468 6.868 -4.984 1.00 0.00 O ATOM 311 CB SER A 23 -2.333 3.646 -6.037 1.00 0.00 C ATOM 312 OG SER A 23 -2.986 2.812 -6.979 1.00 0.00 O ATOM 0 H SER A 23 -0.828 4.239 -7.900 1.00 0.00 H new ATOM 0 HA SER A 23 -3.188 5.421 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.342 3.248 -5.819 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.889 3.646 -5.100 1.00 0.00 H new ATOM 0 HG SER A 23 -3.800 2.442 -6.579 1.00 0.00 H new ATOM 318 N MET A 24 -0.484 5.808 -5.023 1.00 0.00 N ATOM 319 CA MET A 24 0.097 6.624 -3.964 1.00 0.00 C ATOM 320 C MET A 24 -0.065 8.109 -4.270 1.00 0.00 C ATOM 321 O MET A 24 -0.283 8.918 -3.370 1.00 0.00 O ATOM 322 CB MET A 24 1.578 6.287 -3.785 1.00 0.00 C ATOM 323 CG MET A 24 2.379 6.366 -5.074 1.00 0.00 C ATOM 324 SD MET A 24 4.101 6.824 -4.795 1.00 0.00 S ATOM 325 CE MET A 24 4.267 8.214 -5.913 1.00 0.00 C ATOM 0 H MET A 24 0.141 5.094 -5.396 1.00 0.00 H new ATOM 0 HA MET A 24 -0.433 6.402 -3.038 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.012 6.970 -3.055 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.666 5.282 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.341 5.402 -5.580 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.917 7.094 -5.740 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.246 8.675 -5.778 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.168 7.867 -6.942 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.489 8.947 -5.701 1.00 0.00 H new ATOM 335 N ASN A 25 0.043 8.460 -5.548 1.00 0.00 N ATOM 336 CA ASN A 25 -0.090 9.849 -5.973 1.00 0.00 C ATOM 337 C ASN A 25 -1.493 10.375 -5.681 1.00 0.00 C ATOM 338 O ASN A 25 -1.655 11.456 -5.117 1.00 0.00 O ATOM 339 CB ASN A 25 0.215 9.979 -7.466 1.00 0.00 C ATOM 340 CG ASN A 25 0.253 11.424 -7.925 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.318 12.344 -7.110 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.214 11.629 -9.237 1.00 0.00 N ATOM 0 H ASN A 25 0.222 7.802 -6.307 1.00 0.00 H new ATOM 0 HA ASN A 25 0.627 10.446 -5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.174 9.507 -7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.541 9.439 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.238 12.580 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.160 10.836 -9.876 1.00 0.00 H new ATOM 349 N GLN A 26 -2.501 9.601 -6.069 1.00 0.00 N ATOM 350 CA GLN A 26 -3.889 9.989 -5.849 1.00 0.00 C ATOM 351 C GLN A 26 -4.128 10.353 -4.388 1.00 0.00 C ATOM 352 O GLN A 26 -4.794 11.343 -4.085 1.00 0.00 O ATOM 353 CB GLN A 26 -4.830 8.856 -6.265 1.00 0.00 C ATOM 354 CG GLN A 26 -4.722 8.484 -7.735 1.00 0.00 C ATOM 355 CD GLN A 26 -5.796 7.507 -8.170 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.772 6.333 -7.798 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.748 7.987 -8.962 1.00 0.00 N ATOM 0 H GLN A 26 -2.383 8.702 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.095 10.867 -6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.615 7.976 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.857 9.150 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.791 9.388 -8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.741 8.048 -7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.729 8.966 -9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.498 7.376 -9.286 1.00 0.00 H new ATOM 366 N VAL A 27 -3.580 9.546 -3.485 1.00 0.00 N ATOM 367 CA VAL A 27 -3.732 9.784 -2.054 1.00 0.00 C ATOM 368 C VAL A 27 -3.132 11.127 -1.653 1.00 0.00 C ATOM 369 O VAL A 27 -3.569 11.752 -0.687 1.00 0.00 O ATOM 370 CB VAL A 27 -3.067 8.669 -1.226 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.303 8.894 0.260 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.585 7.305 -1.656 1.00 0.00 C ATOM 0 H VAL A 27 -3.027 8.722 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.802 9.791 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.993 8.698 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.826 8.096 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.879 9.854 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.374 8.893 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.104 6.529 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.664 7.262 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.359 7.146 -2.710 1.00 0.00 H new ATOM 382 N LYS A 28 -2.126 11.567 -2.403 1.00 0.00 N ATOM 383 CA LYS A 28 -1.465 12.837 -2.128 1.00 0.00 C ATOM 384 C LYS A 28 -2.188 13.987 -2.822 1.00 0.00 C ATOM 385 O LYS A 28 -1.957 15.156 -2.510 1.00 0.00 O ATOM 386 CB LYS A 28 -0.006 12.786 -2.588 1.00 0.00 C ATOM 387 CG LYS A 28 0.809 11.702 -1.905 1.00 0.00 C ATOM 388 CD LYS A 28 2.299 11.982 -1.998 1.00 0.00 C ATOM 389 CE LYS A 28 2.853 11.606 -3.364 1.00 0.00 C ATOM 390 NZ LYS A 28 4.200 12.195 -3.598 1.00 0.00 N ATOM 0 H LYS A 28 -1.751 11.062 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.494 13.009 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.021 12.625 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.460 13.753 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.516 11.631 -0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.590 10.738 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.484 13.039 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.824 11.422 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.912 10.521 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.168 11.947 -4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.542 11.915 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.139 13.232 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.861 11.850 -2.873 1.00 0.00 H new ATOM 519 N ASN A 36 -7.234 9.612 10.361 1.00 0.00 N ATOM 520 CA ASN A 36 -6.043 8.895 10.802 1.00 0.00 C ATOM 521 C ASN A 36 -6.191 7.396 10.563 1.00 0.00 C ATOM 522 O ASN A 36 -5.204 6.662 10.535 1.00 0.00 O ATOM 523 CB ASN A 36 -5.781 9.163 12.286 1.00 0.00 C ATOM 524 CG ASN A 36 -5.018 10.453 12.514 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.605 11.535 12.557 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.703 10.345 12.663 1.00 0.00 N ATOM 0 HA ASN A 36 -5.195 9.256 10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.731 9.207 12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.218 8.331 12.709 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.137 11.179 12.820 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.258 9.428 12.620 1.00 0.00 H new ATOM 533 N GLU A 37 -7.431 6.949 10.390 1.00 0.00 N ATOM 534 CA GLU A 37 -7.708 5.537 10.154 1.00 0.00 C ATOM 535 C GLU A 37 -7.118 5.083 8.822 1.00 0.00 C ATOM 536 O GLU A 37 -6.410 4.078 8.754 1.00 0.00 O ATOM 537 CB GLU A 37 -9.216 5.280 10.170 1.00 0.00 C ATOM 538 CG GLU A 37 -9.870 5.408 8.804 1.00 0.00 C ATOM 539 CD GLU A 37 -11.340 5.034 8.824 1.00 0.00 C ATOM 540 OE1 GLU A 37 -12.049 5.462 9.758 1.00 0.00 O ATOM 541 OE2 GLU A 37 -11.780 4.314 7.903 1.00 0.00 O ATOM 0 H GLU A 37 -8.259 7.544 10.409 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.241 4.963 10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.401 4.279 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.688 5.982 10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.765 6.433 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.346 4.769 8.093 1.00 0.00 H new ATOM 548 N VAL A 38 -7.415 5.831 7.764 1.00 0.00 N ATOM 549 CA VAL A 38 -6.914 5.507 6.433 1.00 0.00 C ATOM 550 C VAL A 38 -5.436 5.857 6.302 1.00 0.00 C ATOM 551 O VAL A 38 -4.669 5.134 5.666 1.00 0.00 O ATOM 552 CB VAL A 38 -7.705 6.249 5.340 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.855 7.721 5.695 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.027 6.085 3.988 1.00 0.00 C ATOM 0 H VAL A 38 -8.000 6.666 7.803 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.043 4.433 6.299 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.701 5.812 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.417 8.229 4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.387 7.815 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.869 8.175 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.599 6.616 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.018 6.495 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.977 5.027 3.732 1.00 0.00 H new ATOM 564 N LYS A 39 -5.041 6.971 6.909 1.00 0.00 N ATOM 565 CA LYS A 39 -3.654 7.418 6.863 1.00 0.00 C ATOM 566 C LYS A 39 -2.714 6.326 7.364 1.00 0.00 C ATOM 567 O LYS A 39 -1.527 6.316 7.034 1.00 0.00 O ATOM 568 CB LYS A 39 -3.476 8.684 7.703 1.00 0.00 C ATOM 569 CG LYS A 39 -3.712 9.968 6.926 1.00 0.00 C ATOM 570 CD LYS A 39 -4.216 11.081 7.829 1.00 0.00 C ATOM 571 CE LYS A 39 -4.616 12.311 7.027 1.00 0.00 C ATOM 572 NZ LYS A 39 -3.494 12.816 6.189 1.00 0.00 N ATOM 0 H LYS A 39 -5.663 7.581 7.439 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.404 7.640 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.164 8.649 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.467 8.698 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.784 10.280 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.436 9.786 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.072 10.726 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.440 11.349 8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.465 12.068 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.944 13.097 7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.741 13.751 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.635 12.896 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.321 12.155 5.405 1.00 0.00 H new ATOM 586 N LEU A 40 -3.251 5.409 8.160 1.00 0.00 N ATOM 587 CA LEU A 40 -2.460 4.311 8.705 1.00 0.00 C ATOM 588 C LEU A 40 -2.466 3.114 7.760 1.00 0.00 C ATOM 589 O LEU A 40 -1.431 2.491 7.523 1.00 0.00 O ATOM 590 CB LEU A 40 -3.002 3.897 10.075 1.00 0.00 C ATOM 591 CG LEU A 40 -2.781 4.894 11.213 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.792 4.665 12.326 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.361 4.785 11.749 1.00 0.00 C ATOM 0 H LEU A 40 -4.231 5.404 8.443 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.432 4.657 8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.073 3.716 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.542 2.949 10.354 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.924 5.901 10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.620 5.383 13.127 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.801 4.794 11.934 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.681 3.653 12.716 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.222 5.502 12.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.190 3.776 12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.653 4.999 10.949 1.00 0.00 H new ATOM 605 N LYS A 41 -3.638 2.798 7.221 1.00 0.00 N ATOM 606 CA LYS A 41 -3.780 1.678 6.298 1.00 0.00 C ATOM 607 C LYS A 41 -2.915 1.881 5.059 1.00 0.00 C ATOM 608 O LYS A 41 -2.383 0.923 4.496 1.00 0.00 O ATOM 609 CB LYS A 41 -5.245 1.509 5.890 1.00 0.00 C ATOM 610 CG LYS A 41 -5.614 2.262 4.623 1.00 0.00 C ATOM 611 CD LYS A 41 -7.120 2.385 4.465 1.00 0.00 C ATOM 612 CE LYS A 41 -7.753 1.051 4.099 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.233 1.078 4.257 1.00 0.00 N ATOM 0 H LYS A 41 -4.505 3.302 7.408 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.446 0.775 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.454 0.449 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.882 1.852 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.168 3.256 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.198 1.746 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.556 2.753 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.347 3.121 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.502 0.801 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.335 0.266 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.636 0.187 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.473 1.191 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.625 1.875 3.716 1.00 0.00 H new ATOM 627 N LEU A 42 -2.778 3.134 4.638 1.00 0.00 N ATOM 628 CA LEU A 42 -1.976 3.464 3.465 1.00 0.00 C ATOM 629 C LEU A 42 -0.487 3.332 3.769 1.00 0.00 C ATOM 630 O LEU A 42 0.316 3.051 2.878 1.00 0.00 O ATOM 631 CB LEU A 42 -2.288 4.885 2.992 1.00 0.00 C ATOM 632 CG LEU A 42 -3.385 5.015 1.935 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.063 4.155 0.723 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.737 4.631 2.519 1.00 0.00 C ATOM 0 H LEU A 42 -3.212 3.938 5.092 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.230 2.760 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.574 5.480 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.373 5.323 2.593 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.432 6.056 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.855 4.260 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.116 4.476 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.987 3.111 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.506 4.730 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.703 3.599 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.972 5.289 3.355 1.00 0.00 H new ATOM 646 N TYR A 43 -0.126 3.534 5.031 1.00 0.00 N ATOM 647 CA TYR A 43 1.266 3.438 5.452 1.00 0.00 C ATOM 648 C TYR A 43 1.642 1.993 5.767 1.00 0.00 C ATOM 649 O TYR A 43 2.757 1.555 5.488 1.00 0.00 O ATOM 650 CB TYR A 43 1.512 4.319 6.678 1.00 0.00 C ATOM 651 CG TYR A 43 2.555 3.766 7.622 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.901 4.067 7.455 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.195 2.941 8.681 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.858 3.563 8.315 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.144 2.434 9.547 1.00 0.00 C ATOM 656 CZ TYR A 43 4.475 2.748 9.360 1.00 0.00 C ATOM 657 OH TYR A 43 5.424 2.244 10.219 1.00 0.00 O ATOM 0 H TYR A 43 -0.778 3.765 5.780 1.00 0.00 H new ATOM 0 HA TYR A 43 1.892 3.787 4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.823 5.310 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.574 4.444 7.219 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.205 4.706 6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.155 2.692 8.829 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.900 3.806 8.170 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.846 1.796 10.366 1.00 0.00 H new ATOM 0 HH TYR A 43 4.988 1.690 10.900 1.00 0.00 H new ATOM 667 N ALA A 44 0.701 1.258 6.350 1.00 0.00 N ATOM 668 CA ALA A 44 0.930 -0.138 6.702 1.00 0.00 C ATOM 669 C ALA A 44 1.409 -0.936 5.494 1.00 0.00 C ATOM 670 O ALA A 44 2.376 -1.694 5.581 1.00 0.00 O ATOM 671 CB ALA A 44 -0.338 -0.753 7.274 1.00 0.00 C ATOM 0 H ALA A 44 -0.228 1.606 6.589 1.00 0.00 H new ATOM 0 HA ALA A 44 1.711 -0.173 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.152 -1.796 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.637 -0.205 8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.135 -0.699 6.532 1.00 0.00 H new ATOM 677 N LEU A 45 0.726 -0.763 4.367 1.00 0.00 N ATOM 678 CA LEU A 45 1.081 -1.468 3.141 1.00 0.00 C ATOM 679 C LEU A 45 2.387 -0.931 2.563 1.00 0.00 C ATOM 680 O LEU A 45 3.276 -1.698 2.192 1.00 0.00 O ATOM 681 CB LEU A 45 -0.040 -1.334 2.109 1.00 0.00 C ATOM 682 CG LEU A 45 -1.249 -2.249 2.309 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.801 -3.641 2.725 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.197 -1.660 3.343 1.00 0.00 C ATOM 0 H LEU A 45 -0.077 -0.140 4.278 1.00 0.00 H new ATOM 0 HA LEU A 45 1.218 -2.522 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.387 -0.301 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.378 -1.528 1.121 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.781 -2.329 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.674 -4.278 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.162 -4.064 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.245 -3.580 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.052 -2.324 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.675 -1.550 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.544 -0.684 3.004 1.00 0.00 H new ATOM 696 N TYR A 46 2.496 0.391 2.490 1.00 0.00 N ATOM 697 CA TYR A 46 3.693 1.031 1.957 1.00 0.00 C ATOM 698 C TYR A 46 4.954 0.366 2.500 1.00 0.00 C ATOM 699 O TYR A 46 5.772 -0.155 1.742 1.00 0.00 O ATOM 700 CB TYR A 46 3.698 2.520 2.304 1.00 0.00 C ATOM 701 CG TYR A 46 5.020 3.201 2.031 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.414 3.502 0.733 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.876 3.543 3.071 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.621 4.124 0.479 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.084 4.166 2.826 1.00 0.00 C ATOM 706 CZ TYR A 46 7.453 4.454 1.529 1.00 0.00 C ATOM 707 OH TYR A 46 8.656 5.073 1.280 1.00 0.00 O ATOM 0 H TYR A 46 1.770 1.040 2.793 1.00 0.00 H new ATOM 0 HA TYR A 46 3.683 0.918 0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.916 3.020 1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.448 2.640 3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.765 3.245 -0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.592 3.318 4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.912 4.351 -0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.736 4.426 3.646 1.00 0.00 H new ATOM 0 HH TYR A 46 9.121 5.238 2.127 1.00 0.00 H new ATOM 717 N LYS A 47 5.104 0.387 3.820 1.00 0.00 N ATOM 718 CA LYS A 47 6.263 -0.214 4.469 1.00 0.00 C ATOM 719 C LYS A 47 6.295 -1.721 4.237 1.00 0.00 C ATOM 720 O LYS A 47 7.351 -2.348 4.320 1.00 0.00 O ATOM 721 CB LYS A 47 6.244 0.082 5.970 1.00 0.00 C ATOM 722 CG LYS A 47 6.323 1.562 6.299 1.00 0.00 C ATOM 723 CD LYS A 47 7.718 2.114 6.058 1.00 0.00 C ATOM 724 CE LYS A 47 8.630 1.864 7.248 1.00 0.00 C ATOM 725 NZ LYS A 47 8.533 2.952 8.261 1.00 0.00 N ATOM 0 H LYS A 47 4.436 0.814 4.462 1.00 0.00 H new ATOM 0 HA LYS A 47 7.161 0.223 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.331 -0.329 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.080 -0.432 6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.604 2.110 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.044 1.719 7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.145 1.651 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.658 3.185 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.369 0.912 7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.661 1.779 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.286 2.835 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.640 3.874 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.606 2.908 8.730 1.00 0.00 H new ATOM 739 N GLN A 48 5.132 -2.296 3.946 1.00 0.00 N ATOM 740 CA GLN A 48 5.029 -3.730 3.702 1.00 0.00 C ATOM 741 C GLN A 48 5.460 -4.072 2.280 1.00 0.00 C ATOM 742 O GLN A 48 5.919 -5.182 2.011 1.00 0.00 O ATOM 743 CB GLN A 48 3.596 -4.207 3.942 1.00 0.00 C ATOM 744 CG GLN A 48 3.475 -5.714 4.102 1.00 0.00 C ATOM 745 CD GLN A 48 3.680 -6.167 5.534 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.642 -5.361 6.464 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.899 -7.463 5.719 1.00 0.00 N ATOM 0 H GLN A 48 4.249 -1.791 3.874 1.00 0.00 H new ATOM 0 HA GLN A 48 5.696 -4.241 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.206 -3.723 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.971 -3.887 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.490 -6.034 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.209 -6.204 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.922 -8.096 4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.044 -7.826 6.661 1.00 0.00 H new ATOM 756 N ALA A 49 5.310 -3.112 1.374 1.00 0.00 N ATOM 757 CA ALA A 49 5.686 -3.311 -0.020 1.00 0.00 C ATOM 758 C ALA A 49 7.045 -2.687 -0.317 1.00 0.00 C ATOM 759 O ALA A 49 7.490 -2.658 -1.465 1.00 0.00 O ATOM 760 CB ALA A 49 4.623 -2.731 -0.942 1.00 0.00 C ATOM 0 H ALA A 49 4.930 -2.188 1.581 1.00 0.00 H new ATOM 0 HA ALA A 49 5.761 -4.383 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.917 -2.887 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.670 -3.227 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.519 -1.663 -0.751 1.00 0.00 H new ATOM 766 N THR A 50 7.701 -2.186 0.724 1.00 0.00 N ATOM 767 CA THR A 50 9.009 -1.560 0.575 1.00 0.00 C ATOM 768 C THR A 50 10.020 -2.159 1.545 1.00 0.00 C ATOM 769 O THR A 50 11.169 -2.408 1.183 1.00 0.00 O ATOM 770 CB THR A 50 8.933 -0.039 0.805 1.00 0.00 C ATOM 771 OG1 THR A 50 8.278 0.237 2.048 1.00 0.00 O ATOM 772 CG2 THR A 50 8.185 0.644 -0.331 1.00 0.00 C ATOM 0 H THR A 50 7.348 -2.201 1.681 1.00 0.00 H new ATOM 0 HA THR A 50 9.335 -1.750 -0.448 1.00 0.00 H new ATOM 0 HB THR A 50 9.950 0.352 0.836 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.330 0.423 1.884 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.144 1.717 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.703 0.457 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.171 0.247 -0.390 1.00 0.00 H new ATOM 780 N GLU A 51 9.584 -2.390 2.780 1.00 0.00 N ATOM 781 CA GLU A 51 10.453 -2.961 3.802 1.00 0.00 C ATOM 782 C GLU A 51 10.096 -4.421 4.066 1.00 0.00 C ATOM 783 O GLU A 51 10.974 -5.261 4.254 1.00 0.00 O ATOM 784 CB GLU A 51 10.348 -2.156 5.099 1.00 0.00 C ATOM 785 CG GLU A 51 10.347 -0.652 4.884 1.00 0.00 C ATOM 786 CD GLU A 51 11.742 -0.090 4.688 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.594 -0.295 5.579 1.00 0.00 O ATOM 788 OE2 GLU A 51 11.982 0.553 3.646 1.00 0.00 O ATOM 0 H GLU A 51 8.635 -2.191 3.096 1.00 0.00 H new ATOM 0 HA GLU A 51 11.479 -2.916 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.434 -2.441 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.182 -2.421 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.738 -0.414 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.881 -0.166 5.741 1.00 0.00 H new ATOM 795 N GLY A 52 8.799 -4.714 4.079 1.00 0.00 N ATOM 796 CA GLY A 52 8.348 -6.072 4.321 1.00 0.00 C ATOM 797 C GLY A 52 7.513 -6.190 5.581 1.00 0.00 C ATOM 798 O GLY A 52 6.811 -5.258 5.975 1.00 0.00 O ATOM 0 H GLY A 52 8.053 -4.035 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.763 -6.415 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.213 -6.730 4.399 1.00 0.00 H new ATOM 802 N PRO A 53 7.583 -7.359 6.235 1.00 0.00 N ATOM 803 CA PRO A 53 6.833 -7.623 7.466 1.00 0.00 C ATOM 804 C PRO A 53 7.360 -6.818 8.649 1.00 0.00 C ATOM 805 O PRO A 53 8.569 -6.650 8.809 1.00 0.00 O ATOM 806 CB PRO A 53 7.049 -9.120 7.699 1.00 0.00 C ATOM 807 CG PRO A 53 8.336 -9.428 7.013 1.00 0.00 C ATOM 808 CD PRO A 53 8.399 -8.513 5.822 1.00 0.00 C ATOM 0 HA PRO A 53 5.785 -7.339 7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.102 -9.352 8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.229 -9.707 7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.183 -9.261 7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.374 -10.473 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.424 -8.220 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.998 -8.989 4.928 1.00 0.00 H new ATOM 816 N CYS A 54 6.445 -6.324 9.476 1.00 0.00 N ATOM 817 CA CYS A 54 6.818 -5.536 10.646 1.00 0.00 C ATOM 818 C CYS A 54 7.940 -6.216 11.424 1.00 0.00 C ATOM 819 O CYS A 54 7.713 -7.199 12.128 1.00 0.00 O ATOM 820 CB CYS A 54 5.605 -5.327 11.554 1.00 0.00 C ATOM 821 SG CYS A 54 6.010 -4.660 13.185 1.00 0.00 S ATOM 0 H CYS A 54 5.440 -6.455 9.358 1.00 0.00 H new ATOM 0 HA CYS A 54 7.176 -4.566 10.301 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.907 -4.651 11.060 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.091 -6.280 11.680 1.00 0.00 H new ATOM 0 HG CYS A 54 5.333 -3.569 13.388 1.00 0.00 H new ATOM 827 N ASN A 55 9.151 -5.685 11.291 1.00 0.00 N ATOM 828 CA ASN A 55 10.310 -6.242 11.980 1.00 0.00 C ATOM 829 C ASN A 55 10.911 -5.224 12.944 1.00 0.00 C ATOM 830 O ASN A 55 12.032 -5.394 13.422 1.00 0.00 O ATOM 831 CB ASN A 55 11.366 -6.689 10.967 1.00 0.00 C ATOM 832 CG ASN A 55 12.288 -5.557 10.557 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.347 -5.357 11.152 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.888 -4.810 9.535 1.00 0.00 N ATOM 0 H ASN A 55 9.356 -4.870 10.713 1.00 0.00 H new ATOM 0 HA ASN A 55 9.979 -7.107 12.554 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.957 -7.499 11.395 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.871 -7.089 10.082 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.466 -4.034 9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.002 -5.012 9.071 1.00 0.00 H new ATOM 841 N MET A 56 10.158 -4.166 13.224 1.00 0.00 N ATOM 842 CA MET A 56 10.616 -3.121 14.132 1.00 0.00 C ATOM 843 C MET A 56 10.129 -3.383 15.553 1.00 0.00 C ATOM 844 O MET A 56 9.107 -4.033 15.775 1.00 0.00 O ATOM 845 CB MET A 56 10.125 -1.752 13.657 1.00 0.00 C ATOM 846 CG MET A 56 8.659 -1.737 13.255 1.00 0.00 C ATOM 847 SD MET A 56 8.025 -0.069 12.999 1.00 0.00 S ATOM 848 CE MET A 56 8.536 0.725 14.521 1.00 0.00 C ATOM 0 H MET A 56 9.228 -4.009 12.835 1.00 0.00 H new ATOM 0 HA MET A 56 11.706 -3.128 14.133 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.283 -1.023 14.452 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.729 -1.433 12.808 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.532 -2.314 12.339 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.070 -2.231 14.028 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.828 1.514 14.776 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.563 -0.011 15.324 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.528 1.157 14.391 1.00 0.00 H new ATOM 858 N PRO A 57 10.876 -2.868 16.541 1.00 0.00 N ATOM 859 CA PRO A 57 10.539 -3.034 17.958 1.00 0.00 C ATOM 860 C PRO A 57 9.295 -2.245 18.354 1.00 0.00 C ATOM 861 O PRO A 57 9.154 -1.073 18.007 1.00 0.00 O ATOM 862 CB PRO A 57 11.772 -2.488 18.682 1.00 0.00 C ATOM 863 CG PRO A 57 12.381 -1.527 17.720 1.00 0.00 C ATOM 864 CD PRO A 57 12.107 -2.082 16.350 1.00 0.00 C ATOM 0 HA PRO A 57 10.308 -4.071 18.204 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.498 -1.995 19.614 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.468 -3.287 18.937 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.946 -0.534 17.833 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.452 -1.427 17.893 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.968 -1.289 15.615 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.930 -2.703 15.996 1.00 0.00 H new ATOM 872 N LYS A 58 8.396 -2.896 19.085 1.00 0.00 N ATOM 873 CA LYS A 58 7.164 -2.255 19.531 1.00 0.00 C ATOM 874 C LYS A 58 7.466 -0.981 20.313 1.00 0.00 C ATOM 875 O LYS A 58 8.187 -0.992 21.310 1.00 0.00 O ATOM 876 CB LYS A 58 6.350 -3.218 20.398 1.00 0.00 C ATOM 877 CG LYS A 58 4.906 -2.788 20.593 1.00 0.00 C ATOM 878 CD LYS A 58 4.026 -3.958 20.999 1.00 0.00 C ATOM 879 CE LYS A 58 2.603 -3.508 21.295 1.00 0.00 C ATOM 880 NZ LYS A 58 1.760 -4.630 21.795 1.00 0.00 N ATOM 0 H LYS A 58 8.497 -3.867 19.381 1.00 0.00 H new ATOM 0 HA LYS A 58 6.582 -1.989 18.649 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.367 -4.208 19.942 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.828 -3.308 21.373 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.856 -2.012 21.357 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.528 -2.350 19.669 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.015 -4.701 20.201 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.446 -4.442 21.880 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.621 -2.709 22.036 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.157 -3.094 20.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.798 -4.283 21.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.722 -5.382 21.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.171 -5.009 22.672 1.00 0.00 H new ATOM 894 N PRO A 59 6.900 0.145 19.853 1.00 0.00 N ATOM 895 CA PRO A 59 7.093 1.448 20.496 1.00 0.00 C ATOM 896 C PRO A 59 6.396 1.535 21.850 1.00 0.00 C ATOM 897 O PRO A 59 5.654 0.632 22.236 1.00 0.00 O ATOM 898 CB PRO A 59 6.461 2.429 19.506 1.00 0.00 C ATOM 899 CG PRO A 59 5.457 1.620 18.759 1.00 0.00 C ATOM 900 CD PRO A 59 6.028 0.232 18.669 1.00 0.00 C ATOM 0 HA PRO A 59 8.144 1.648 20.704 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.990 3.265 20.023 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.209 2.850 18.834 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.497 1.614 19.276 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.282 2.035 17.766 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.246 -0.527 18.689 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.588 0.087 17.745 1.00 0.00 H new ATOM 908 N GLY A 60 6.640 2.627 22.567 1.00 0.00 N ATOM 909 CA GLY A 60 6.028 2.812 23.870 1.00 0.00 C ATOM 910 C GLY A 60 4.745 3.616 23.799 1.00 0.00 C ATOM 911 O GLY A 60 4.612 4.514 22.967 1.00 0.00 O ATOM 0 H GLY A 60 7.251 3.388 22.269 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.819 1.838 24.311 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.733 3.316 24.531 1.00 0.00 H new ATOM 915 N VAL A 61 3.797 3.294 24.673 1.00 0.00 N ATOM 916 CA VAL A 61 2.518 3.993 24.706 1.00 0.00 C ATOM 917 C VAL A 61 2.708 5.495 24.529 1.00 0.00 C ATOM 918 O VAL A 61 2.076 6.115 23.673 1.00 0.00 O ATOM 919 CB VAL A 61 1.770 3.733 26.027 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.137 2.349 26.020 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.712 3.891 27.212 1.00 0.00 C ATOM 0 H VAL A 61 3.891 2.553 25.368 1.00 0.00 H new ATOM 0 HA VAL A 61 1.924 3.605 23.879 1.00 0.00 H new ATOM 0 HB VAL A 61 0.973 4.470 26.124 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.613 2.184 26.961 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.430 2.277 25.194 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.914 1.594 25.900 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.167 3.704 28.137 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.532 3.178 27.123 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.113 4.905 27.226 1.00 0.00 H new ATOM 931 N PHE A 62 3.582 6.075 25.344 1.00 0.00 N ATOM 932 CA PHE A 62 3.856 7.506 25.279 1.00 0.00 C ATOM 933 C PHE A 62 4.016 7.963 23.832 1.00 0.00 C ATOM 934 O PHE A 62 3.592 9.059 23.465 1.00 0.00 O ATOM 935 CB PHE A 62 5.119 7.842 26.074 1.00 0.00 C ATOM 936 CG PHE A 62 4.939 7.728 27.561 1.00 0.00 C ATOM 937 CD1 PHE A 62 5.030 6.498 28.191 1.00 0.00 C ATOM 938 CD2 PHE A 62 4.678 8.852 28.329 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.865 6.390 29.559 1.00 0.00 C ATOM 940 CE2 PHE A 62 4.512 8.750 29.697 1.00 0.00 C ATOM 941 CZ PHE A 62 4.605 7.517 30.313 1.00 0.00 C ATOM 0 H PHE A 62 4.113 5.576 26.058 1.00 0.00 H new ATOM 0 HA PHE A 62 3.009 8.033 25.717 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.923 7.176 25.761 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.433 8.857 25.831 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.232 5.613 27.606 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.604 9.818 27.853 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.939 5.425 30.038 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.310 9.634 30.284 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.475 7.435 31.382 1.00 0.00 H new ATOM 951 N ASP A 63 4.631 7.116 23.014 1.00 0.00 N ATOM 952 CA ASP A 63 4.848 7.431 21.607 1.00 0.00 C ATOM 953 C ASP A 63 3.627 7.057 20.772 1.00 0.00 C ATOM 954 O ASP A 63 3.754 6.472 19.695 1.00 0.00 O ATOM 955 CB ASP A 63 6.084 6.700 21.083 1.00 0.00 C ATOM 956 CG ASP A 63 7.364 7.474 21.330 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.437 8.648 20.910 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.292 6.907 21.943 1.00 0.00 O ATOM 0 H ASP A 63 4.988 6.205 23.302 1.00 0.00 H new ATOM 0 HA ASP A 63 5.009 8.506 21.521 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.155 5.724 21.562 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.971 6.522 20.013 1.00 0.00 H new ATOM 963 N LEU A 64 2.446 7.395 21.276 1.00 0.00 N ATOM 964 CA LEU A 64 1.201 7.093 20.578 1.00 0.00 C ATOM 965 C LEU A 64 1.371 7.249 19.070 1.00 0.00 C ATOM 966 O LEU A 64 0.824 6.470 18.290 1.00 0.00 O ATOM 967 CB LEU A 64 0.080 8.008 21.073 1.00 0.00 C ATOM 968 CG LEU A 64 -0.118 8.067 22.588 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.166 9.108 22.950 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.514 6.699 23.127 1.00 0.00 C ATOM 0 H LEU A 64 2.324 7.879 22.166 1.00 0.00 H new ATOM 0 HA LEU A 64 0.936 6.057 20.791 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.277 9.018 20.713 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.855 7.683 20.617 1.00 0.00 H new ATOM 0 HG LEU A 64 0.827 8.358 23.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.293 9.135 24.032 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.843 10.088 22.598 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.114 8.848 22.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.651 6.759 24.207 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.446 6.380 22.660 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.271 5.977 22.900 1.00 0.00 H new ATOM 982 N ILE A 65 2.135 8.259 18.667 1.00 0.00 N ATOM 983 CA ILE A 65 2.380 8.515 17.253 1.00 0.00 C ATOM 984 C ILE A 65 2.898 7.264 16.550 1.00 0.00 C ATOM 985 O ILE A 65 2.293 6.783 15.593 1.00 0.00 O ATOM 986 CB ILE A 65 3.393 9.658 17.055 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.853 10.957 17.655 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.704 9.840 15.577 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.533 11.395 17.059 1.00 0.00 C ATOM 0 H ILE A 65 2.595 8.913 19.300 1.00 0.00 H new ATOM 0 HA ILE A 65 1.426 8.807 16.815 1.00 0.00 H new ATOM 0 HB ILE A 65 4.317 9.398 17.571 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.732 10.828 18.731 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.588 11.748 17.510 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.421 10.651 15.453 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.127 8.918 15.178 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.787 10.081 15.039 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.210 12.323 17.532 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.653 11.556 15.988 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.783 10.622 17.228 1.00 0.00 H new ATOM 1001 N ASN A 66 4.020 6.742 17.033 1.00 0.00 N ATOM 1002 CA ASN A 66 4.619 5.546 16.452 1.00 0.00 C ATOM 1003 C ASN A 66 3.737 4.325 16.691 1.00 0.00 C ATOM 1004 O ASN A 66 3.555 3.492 15.803 1.00 0.00 O ATOM 1005 CB ASN A 66 6.010 5.308 17.043 1.00 0.00 C ATOM 1006 CG ASN A 66 7.047 6.265 16.486 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.772 5.934 15.547 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.121 7.458 17.063 1.00 0.00 N ATOM 0 H ASN A 66 4.533 7.128 17.825 1.00 0.00 H new ATOM 0 HA ASN A 66 4.710 5.701 15.377 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.965 5.416 18.127 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.318 4.283 16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.799 8.144 16.731 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.500 7.689 17.838 1.00 0.00 H new ATOM 1015 N LYS A 67 3.190 4.224 17.898 1.00 0.00 N ATOM 1016 CA LYS A 67 2.324 3.107 18.256 1.00 0.00 C ATOM 1017 C LYS A 67 1.176 2.968 17.262 1.00 0.00 C ATOM 1018 O LYS A 67 0.769 1.858 16.919 1.00 0.00 O ATOM 1019 CB LYS A 67 1.770 3.296 19.669 1.00 0.00 C ATOM 1020 CG LYS A 67 1.242 2.016 20.292 1.00 0.00 C ATOM 1021 CD LYS A 67 2.351 0.998 20.499 1.00 0.00 C ATOM 1022 CE LYS A 67 1.934 -0.090 21.477 1.00 0.00 C ATOM 1023 NZ LYS A 67 0.762 -0.863 20.979 1.00 0.00 N ATOM 0 H LYS A 67 3.332 4.903 18.646 1.00 0.00 H new ATOM 0 HA LYS A 67 2.919 2.195 18.226 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.555 3.703 20.306 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.968 4.034 19.640 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.772 2.243 21.249 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.470 1.590 19.651 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.615 0.547 19.543 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.243 1.501 20.872 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.771 -0.767 21.645 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.690 0.360 22.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.540 -1.627 21.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.059 -0.231 20.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.986 -1.272 20.049 1.00 0.00 H new ATOM 1037 N ALA A 68 0.657 4.102 16.801 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.442 4.107 15.844 1.00 0.00 C ATOM 1039 C ALA A 68 -0.044 3.408 14.549 1.00 0.00 C ATOM 1040 O ALA A 68 -0.832 2.661 13.967 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.889 5.533 15.561 1.00 0.00 C ATOM 0 H ALA A 68 0.981 5.029 17.076 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.275 3.557 16.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.710 5.521 14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.222 6.001 16.488 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.055 6.100 15.148 1.00 0.00 H new ATOM 1047 N LYS A 69 1.182 3.655 14.100 1.00 0.00 N ATOM 1048 CA LYS A 69 1.685 3.049 12.873 1.00 0.00 C ATOM 1049 C LYS A 69 2.031 1.580 13.094 1.00 0.00 C ATOM 1050 O LYS A 69 1.636 0.715 12.312 1.00 0.00 O ATOM 1051 CB LYS A 69 2.919 3.805 12.376 1.00 0.00 C ATOM 1052 CG LYS A 69 2.592 4.945 11.426 1.00 0.00 C ATOM 1053 CD LYS A 69 2.227 6.212 12.180 1.00 0.00 C ATOM 1054 CE LYS A 69 1.840 7.335 11.230 1.00 0.00 C ATOM 1055 NZ LYS A 69 3.036 8.024 10.669 1.00 0.00 N ATOM 0 H LYS A 69 1.846 4.271 14.568 1.00 0.00 H new ATOM 0 HA LYS A 69 0.900 3.110 12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.461 4.202 13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.586 3.104 11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.449 5.139 10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.764 4.654 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.399 6.007 12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.071 6.528 12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.239 6.931 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.218 8.058 11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.730 8.783 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.597 8.432 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.617 7.339 10.144 1.00 0.00 H new ATOM 1069 N TRP A 70 2.769 1.305 14.164 1.00 0.00 N ATOM 1070 CA TRP A 70 3.166 -0.060 14.487 1.00 0.00 C ATOM 1071 C TRP A 70 1.980 -1.012 14.383 1.00 0.00 C ATOM 1072 O TRP A 70 2.091 -2.097 13.811 1.00 0.00 O ATOM 1073 CB TRP A 70 3.761 -0.120 15.895 1.00 0.00 C ATOM 1074 CG TRP A 70 4.582 -1.350 16.142 1.00 0.00 C ATOM 1075 CD1 TRP A 70 5.898 -1.534 15.826 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.140 -2.566 16.755 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.301 -2.791 16.205 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.242 -3.444 16.778 1.00 0.00 C ATOM 1079 CE3 TRP A 70 2.923 -2.998 17.288 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.159 -4.727 17.312 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 2.843 -4.272 17.817 1.00 0.00 C ATOM 1082 CH2 TRP A 70 3.955 -5.124 17.827 1.00 0.00 C ATOM 0 H TRP A 70 3.104 2.009 14.822 1.00 0.00 H new ATOM 0 HA TRP A 70 3.922 -0.372 13.766 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.382 0.761 16.057 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.953 -0.079 16.625 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.529 -0.799 15.348 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.237 -3.176 16.080 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.060 -2.348 17.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.015 -5.386 17.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.907 -4.617 18.230 1.00 0.00 H new ATOM 0 HH2 TRP A 70 3.860 -6.113 18.249 1.00 0.00 H new ATOM 1093 N ASP A 71 0.845 -0.599 14.937 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.363 -1.416 14.904 1.00 0.00 C ATOM 1095 C ASP A 71 -0.884 -1.559 13.478 1.00 0.00 C ATOM 1096 O ASP A 71 -1.535 -2.547 13.140 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.443 -0.801 15.796 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.261 -1.159 17.258 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -1.234 -2.367 17.574 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.144 -0.232 18.085 1.00 0.00 O ATOM 0 H ASP A 71 0.736 0.296 15.414 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.112 -2.408 15.280 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.427 0.283 15.686 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.423 -1.141 15.461 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.593 -0.565 12.645 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.031 -0.581 11.254 1.00 0.00 C ATOM 1107 C ALA A 72 -0.152 -1.500 10.412 1.00 0.00 C ATOM 1108 O ALA A 72 -0.652 -2.371 9.701 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.023 0.829 10.683 1.00 0.00 C ATOM 0 H ALA A 72 -0.056 0.261 12.909 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.049 -0.968 11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.352 0.803 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.698 1.460 11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.013 1.236 10.734 1.00 0.00 H new ATOM 1115 N TRP A 73 1.158 -1.300 10.498 1.00 0.00 N ATOM 1116 CA TRP A 73 2.106 -2.111 9.743 1.00 0.00 C ATOM 1117 C TRP A 73 2.212 -3.514 10.331 1.00 0.00 C ATOM 1118 O TRP A 73 2.445 -4.483 9.611 1.00 0.00 O ATOM 1119 CB TRP A 73 3.482 -1.444 9.730 1.00 0.00 C ATOM 1120 CG TRP A 73 4.494 -2.186 8.910 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.244 -3.156 7.981 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.916 -2.020 8.946 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.425 -3.602 7.438 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.465 -2.920 8.013 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.778 -1.196 9.675 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.836 -3.019 7.792 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.138 -1.296 9.455 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.657 -2.201 8.520 1.00 0.00 C ATOM 0 H TRP A 73 1.588 -0.583 11.083 1.00 0.00 H new ATOM 0 HA TRP A 73 1.741 -2.194 8.719 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.383 -0.430 9.342 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.846 -1.359 10.754 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.263 -3.519 7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.513 -4.324 6.723 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.388 -0.494 10.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.237 -3.716 7.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.813 -0.665 10.014 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.725 -2.254 8.371 1.00 0.00 H new ATOM 1139 N ASN A 74 2.039 -3.614 11.645 1.00 0.00 N ATOM 1140 CA ASN A 74 2.116 -4.899 12.330 1.00 0.00 C ATOM 1141 C ASN A 74 0.968 -5.811 11.907 1.00 0.00 C ATOM 1142 O ASN A 74 1.163 -7.002 11.670 1.00 0.00 O ATOM 1143 CB ASN A 74 2.088 -4.695 13.846 1.00 0.00 C ATOM 1144 CG ASN A 74 2.013 -6.006 14.605 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.651 -6.990 14.231 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.229 -6.025 15.677 1.00 0.00 N ATOM 0 H ASN A 74 1.845 -2.821 12.256 1.00 0.00 H new ATOM 0 HA ASN A 74 3.056 -5.375 12.051 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.981 -4.151 14.153 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.231 -4.076 14.111 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.138 -6.879 16.227 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.718 -5.185 15.950 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.229 -5.241 11.815 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.408 -6.001 11.419 1.00 0.00 C ATOM 1155 C ALA A 75 -1.123 -6.854 10.187 1.00 0.00 C ATOM 1156 O ALA A 75 -1.626 -7.971 10.064 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.576 -5.062 11.154 1.00 0.00 C ATOM 0 H ALA A 75 -0.408 -4.256 12.009 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.671 -6.670 12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.450 -5.643 10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.803 -4.499 12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.313 -4.371 10.353 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.314 -6.321 9.279 1.00 0.00 N ATOM 1164 CA LEU A 76 0.038 -7.034 8.056 1.00 0.00 C ATOM 1165 C LEU A 76 0.655 -8.392 8.375 1.00 0.00 C ATOM 1166 O LEU A 76 0.197 -9.423 7.886 1.00 0.00 O ATOM 1167 CB LEU A 76 1.013 -6.202 7.220 1.00 0.00 C ATOM 1168 CG LEU A 76 0.395 -5.074 6.393 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.132 -5.610 5.070 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.717 -4.388 7.173 1.00 0.00 C ATOM 0 H LEU A 76 0.111 -5.398 9.366 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.876 -7.196 7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.757 -5.769 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.544 -6.872 6.544 1.00 0.00 H new ATOM 0 HG LEU A 76 1.170 -4.338 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.568 -4.794 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.687 -6.055 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.893 -6.366 5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.145 -3.588 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.493 -5.114 7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.311 -3.970 8.094 1.00 0.00 H new ATOM 1182 N GLY A 77 1.696 -8.384 9.202 1.00 0.00 N ATOM 1183 CA GLY A 77 2.357 -9.621 9.574 1.00 0.00 C ATOM 1184 C GLY A 77 3.332 -10.099 8.516 1.00 0.00 C ATOM 1185 O GLY A 77 4.197 -9.344 8.073 1.00 0.00 O ATOM 0 H GLY A 77 2.093 -7.543 9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.889 -9.477 10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.607 -10.392 9.747 1.00 0.00 H new ATOM 1189 N SER A 78 3.192 -11.357 8.111 1.00 0.00 N ATOM 1190 CA SER A 78 4.071 -11.937 7.102 1.00 0.00 C ATOM 1191 C SER A 78 3.524 -11.692 5.699 1.00 0.00 C ATOM 1192 O SER A 78 3.651 -12.538 4.813 1.00 0.00 O ATOM 1193 CB SER A 78 4.237 -13.438 7.342 1.00 0.00 C ATOM 1194 OG SER A 78 4.789 -13.692 8.622 1.00 0.00 O ATOM 0 H SER A 78 2.479 -11.994 8.466 1.00 0.00 H new ATOM 0 HA SER A 78 5.045 -11.454 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.269 -13.932 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.882 -13.863 6.573 1.00 0.00 H new ATOM 0 HG SER A 78 4.883 -14.659 8.752 1.00 0.00 H new ATOM 1200 N LEU A 79 2.914 -10.528 5.504 1.00 0.00 N ATOM 1201 CA LEU A 79 2.346 -10.169 4.209 1.00 0.00 C ATOM 1202 C LEU A 79 3.446 -9.847 3.202 1.00 0.00 C ATOM 1203 O LEU A 79 4.280 -8.967 3.418 1.00 0.00 O ATOM 1204 CB LEU A 79 1.406 -8.971 4.356 1.00 0.00 C ATOM 1205 CG LEU A 79 0.384 -8.779 3.235 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.082 -8.445 1.927 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.478 -10.024 3.080 1.00 0.00 C ATOM 0 H LEU A 79 2.800 -9.817 6.226 1.00 0.00 H new ATOM 0 HA LEU A 79 1.779 -11.024 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.867 -9.071 5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.011 -8.067 4.428 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.264 -7.944 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.338 -8.312 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.654 -7.525 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.755 -9.258 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.200 -9.869 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.156 -10.877 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.008 -10.218 4.012 1.00 0.00 H new ATOM 1219 N PRO A 80 3.448 -10.573 2.075 1.00 0.00 N ATOM 1220 CA PRO A 80 4.438 -10.380 1.011 1.00 0.00 C ATOM 1221 C PRO A 80 4.249 -9.058 0.275 1.00 0.00 C ATOM 1222 O PRO A 80 3.160 -8.482 0.282 1.00 0.00 O ATOM 1223 CB PRO A 80 4.181 -11.558 0.069 1.00 0.00 C ATOM 1224 CG PRO A 80 2.755 -11.923 0.300 1.00 0.00 C ATOM 1225 CD PRO A 80 2.484 -11.638 1.751 1.00 0.00 C ATOM 0 HA PRO A 80 5.455 -10.344 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.355 -11.279 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.845 -12.394 0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.094 -11.340 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.579 -12.974 0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.456 -11.312 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.639 -12.522 2.370 1.00 0.00 H new ATOM 1233 N LYS A 81 5.314 -8.581 -0.359 1.00 0.00 N ATOM 1234 CA LYS A 81 5.266 -7.328 -1.102 1.00 0.00 C ATOM 1235 C LYS A 81 4.327 -7.440 -2.299 1.00 0.00 C ATOM 1236 O LYS A 81 3.594 -6.503 -2.614 1.00 0.00 O ATOM 1237 CB LYS A 81 6.668 -6.937 -1.576 1.00 0.00 C ATOM 1238 CG LYS A 81 7.582 -6.475 -0.454 1.00 0.00 C ATOM 1239 CD LYS A 81 9.039 -6.771 -0.765 1.00 0.00 C ATOM 1240 CE LYS A 81 9.912 -6.635 0.473 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.337 -6.961 0.186 1.00 0.00 N ATOM 0 H LYS A 81 6.223 -9.044 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 81 4.886 -6.555 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.124 -7.791 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.584 -6.141 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.453 -5.404 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.299 -6.971 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.129 -7.781 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.393 -6.089 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.843 -5.617 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.539 -7.296 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.899 -6.856 1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.407 -7.941 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.701 -6.314 -0.542 1.00 0.00 H new ATOM 1255 N GLU A 82 4.354 -8.593 -2.960 1.00 0.00 N ATOM 1256 CA GLU A 82 3.503 -8.827 -4.122 1.00 0.00 C ATOM 1257 C GLU A 82 2.035 -8.601 -3.775 1.00 0.00 C ATOM 1258 O GLU A 82 1.234 -8.230 -4.632 1.00 0.00 O ATOM 1259 CB GLU A 82 3.701 -10.250 -4.648 1.00 0.00 C ATOM 1260 CG GLU A 82 3.855 -11.289 -3.551 1.00 0.00 C ATOM 1261 CD GLU A 82 3.698 -12.707 -4.064 1.00 0.00 C ATOM 1262 OE1 GLU A 82 2.544 -13.162 -4.209 1.00 0.00 O ATOM 1263 OE2 GLU A 82 4.730 -13.362 -4.321 1.00 0.00 O ATOM 0 H GLU A 82 4.955 -9.379 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 82 3.788 -8.117 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.850 -10.518 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.585 -10.273 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.836 -11.181 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.114 -11.104 -2.774 1.00 0.00 H new ATOM 1270 N ALA A 83 1.689 -8.828 -2.512 1.00 0.00 N ATOM 1271 CA ALA A 83 0.318 -8.649 -2.051 1.00 0.00 C ATOM 1272 C ALA A 83 0.136 -7.287 -1.388 1.00 0.00 C ATOM 1273 O ALA A 83 -0.905 -6.648 -1.538 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.065 -9.762 -1.087 1.00 0.00 C ATOM 0 H ALA A 83 2.340 -9.136 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.340 -8.693 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.091 -9.615 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.017 -10.725 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.604 -9.745 -0.227 1.00 0.00 H new ATOM 1280 N ALA A 84 1.154 -6.850 -0.655 1.00 0.00 N ATOM 1281 CA ALA A 84 1.106 -5.564 0.029 1.00 0.00 C ATOM 1282 C ALA A 84 0.953 -4.418 -0.966 1.00 0.00 C ATOM 1283 O ALA A 84 0.351 -3.390 -0.656 1.00 0.00 O ATOM 1284 CB ALA A 84 2.356 -5.368 0.874 1.00 0.00 C ATOM 0 H ALA A 84 2.022 -7.368 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 84 0.234 -5.561 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.306 -4.403 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.422 -6.163 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.237 -5.397 0.233 1.00 0.00 H new ATOM 1290 N ARG A 85 1.503 -4.602 -2.162 1.00 0.00 N ATOM 1291 CA ARG A 85 1.429 -3.583 -3.201 1.00 0.00 C ATOM 1292 C ARG A 85 0.022 -3.505 -3.788 1.00 0.00 C ATOM 1293 O ARG A 85 -0.463 -2.424 -4.119 1.00 0.00 O ATOM 1294 CB ARG A 85 2.439 -3.881 -4.311 1.00 0.00 C ATOM 1295 CG ARG A 85 3.802 -3.249 -4.079 1.00 0.00 C ATOM 1296 CD ARG A 85 4.590 -3.132 -5.375 1.00 0.00 C ATOM 1297 NE ARG A 85 5.384 -4.328 -5.641 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.414 -4.709 -4.894 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.772 -3.991 -3.838 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.087 -5.810 -5.201 1.00 0.00 N ATOM 0 H ARG A 85 2.004 -5.447 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 85 1.670 -2.621 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.559 -4.961 -4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.039 -3.524 -5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.675 -2.260 -3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.365 -3.848 -3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.902 -2.961 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.248 -2.264 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 85 5.134 -4.903 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.256 -3.144 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.563 -4.285 -3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.814 -6.365 -6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.878 -6.101 -4.626 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.626 -4.659 -3.913 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.976 -4.720 -4.460 1.00 0.00 C ATOM 1316 C GLN A 86 -2.988 -4.136 -3.480 1.00 0.00 C ATOM 1317 O GLN A 86 -3.959 -3.497 -3.883 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.348 -6.166 -4.794 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.810 -6.347 -5.167 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.080 -6.059 -6.630 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -4.378 -6.965 -7.409 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -3.976 -4.791 -7.013 1.00 0.00 N ATOM 0 H GLN A 86 -0.238 -5.563 -3.643 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.998 -4.126 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.726 -6.511 -5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.119 -6.799 -3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.115 -7.368 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.422 -5.687 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.727 -4.072 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.146 -4.537 -7.986 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.753 -4.359 -2.191 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.645 -3.855 -1.153 1.00 0.00 C ATOM 1333 C ASN A 87 -3.645 -2.329 -1.129 1.00 0.00 C ATOM 1334 O ASN A 87 -4.701 -1.697 -1.128 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.228 -4.397 0.215 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.810 -5.770 0.494 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -5.021 -5.921 0.658 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.947 -6.778 0.550 1.00 0.00 N ATOM 0 H ASN A 87 -1.953 -4.885 -1.840 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.655 -4.197 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.140 -4.449 0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.551 -3.704 0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.279 -7.724 0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.952 -6.606 0.408 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.452 -1.744 -1.112 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.313 -0.293 -1.086 1.00 0.00 C ATOM 1347 C TYR A 88 -3.118 0.352 -2.211 1.00 0.00 C ATOM 1348 O TYR A 88 -3.876 1.296 -1.986 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.840 0.102 -1.208 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.606 1.594 -1.140 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -0.980 2.424 -2.189 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.010 2.174 -0.027 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.767 3.788 -2.132 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.206 3.537 0.040 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.174 4.339 -1.016 1.00 0.00 C ATOM 1356 OH TYR A 88 0.039 5.697 -0.954 1.00 0.00 O ATOM 0 H TYR A 88 -1.568 -2.252 -1.116 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.701 0.066 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.275 -0.383 -0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.448 -0.276 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.445 1.996 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.290 1.548 0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.063 4.419 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.669 3.972 0.913 1.00 0.00 H new ATOM 0 HH TYR A 88 0.465 5.923 -0.101 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.949 -0.167 -3.423 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.660 0.355 -4.584 1.00 0.00 C ATOM 1368 C VAL A 89 -5.153 0.059 -4.493 1.00 0.00 C ATOM 1369 O VAL A 89 -5.985 0.908 -4.811 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.109 -0.239 -5.894 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.670 0.202 -6.116 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.213 -1.756 -5.876 1.00 0.00 C ATOM 0 H VAL A 89 -2.326 -0.949 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.506 1.434 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.711 0.134 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.297 -0.227 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.628 1.290 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.052 -0.140 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.819 -2.159 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.637 -2.150 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.258 -2.048 -5.767 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.484 -1.151 -4.057 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.878 -1.560 -3.922 1.00 0.00 C ATOM 1384 C ASP A 90 -7.675 -0.522 -3.138 1.00 0.00 C ATOM 1385 O ASP A 90 -8.861 -0.311 -3.396 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.967 -2.921 -3.229 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.394 -3.305 -2.891 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.271 -3.162 -3.769 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.634 -3.750 -1.750 1.00 0.00 O ATOM 0 H ASP A 90 -4.807 -1.866 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.306 -1.641 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.532 -3.684 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.373 -2.900 -2.315 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.017 0.122 -2.181 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.665 1.137 -1.358 1.00 0.00 C ATOM 1396 C LEU A 91 -7.847 2.436 -2.138 1.00 0.00 C ATOM 1397 O LEU A 91 -8.969 2.899 -2.340 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.843 1.399 -0.094 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.434 2.404 0.895 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.214 3.827 0.405 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.917 2.135 1.107 1.00 0.00 C ATOM 0 H LEU A 91 -6.036 -0.040 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.649 0.764 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.699 0.451 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.856 1.752 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.923 2.287 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.641 4.529 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.145 4.016 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.698 3.957 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.321 2.860 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.442 2.224 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.051 1.128 1.503 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.735 3.018 -2.575 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.771 4.261 -3.336 1.00 0.00 C ATOM 1415 C VAL A 92 -7.827 4.203 -4.434 1.00 0.00 C ATOM 1416 O VAL A 92 -8.385 5.227 -4.827 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.402 4.570 -3.971 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.445 5.897 -4.714 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.312 4.579 -2.910 1.00 0.00 C ATOM 0 H VAL A 92 -5.798 2.649 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.025 5.055 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.170 3.785 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.469 6.098 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.197 5.849 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.700 6.696 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.352 4.799 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.536 5.342 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.266 3.603 -2.428 1.00 0.00 H new ATOM 1429 N SER A 93 -8.097 2.997 -4.924 1.00 0.00 N ATOM 1430 CA SER A 93 -9.085 2.805 -5.979 1.00 0.00 C ATOM 1431 C SER A 93 -10.502 2.880 -5.418 1.00 0.00 C ATOM 1432 O SER A 93 -11.428 3.324 -6.097 1.00 0.00 O ATOM 1433 CB SER A 93 -8.869 1.457 -6.670 1.00 0.00 C ATOM 1434 OG SER A 93 -8.067 1.601 -7.830 1.00 0.00 O ATOM 0 H SER A 93 -7.646 2.139 -4.607 1.00 0.00 H new ATOM 0 HA SER A 93 -8.960 3.604 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.392 0.763 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.832 1.025 -6.941 1.00 0.00 H new ATOM 0 HG SER A 93 -7.942 0.725 -8.252 1.00 0.00 H new ATOM 1440 N SER A 94 -10.662 2.444 -4.173 1.00 0.00 N ATOM 1441 CA SER A 94 -11.966 2.458 -3.520 1.00 0.00 C ATOM 1442 C SER A 94 -12.381 3.882 -3.166 1.00 0.00 C ATOM 1443 O SER A 94 -13.565 4.222 -3.194 1.00 0.00 O ATOM 1444 CB SER A 94 -11.937 1.594 -2.257 1.00 0.00 C ATOM 1445 OG SER A 94 -13.223 1.076 -1.964 1.00 0.00 O ATOM 0 H SER A 94 -9.905 2.077 -3.596 1.00 0.00 H new ATOM 0 HA SER A 94 -12.698 2.047 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.233 0.773 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.580 2.187 -1.415 1.00 0.00 H new ATOM 0 HG SER A 94 -13.178 0.526 -1.154 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.399 4.712 -2.831 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.660 6.101 -2.471 1.00 0.00 C ATOM 1453 C LEU A 95 -12.287 6.858 -3.638 1.00 0.00 C ATOM 1454 O LEU A 95 -13.392 7.388 -3.525 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.364 6.789 -2.039 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.829 6.408 -0.658 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.373 6.823 -0.516 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.676 7.042 0.436 1.00 0.00 C ATOM 0 H LEU A 95 -10.415 4.447 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.363 6.108 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.595 6.567 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.524 7.867 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.888 5.325 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.010 6.544 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.776 6.321 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.288 7.902 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.281 6.760 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.650 8.127 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.705 6.694 0.347 1.00 0.00 H new