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 Single : A 22 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.91) USER MOD Single : A 23 SER OG : rot 72:sc= -0.49 USER MOD Single : A 24 MET CE :methyl 174:sc= -0.236 (180deg=-0.334) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 GLN : amide:sc= -0.0504 X(o=-0.05,f=0) 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=-0.022) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0207) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 0.176 (180deg=0.0218) USER MOD Single : A 48 GLN : amide:sc= -7.49! C(o=-7.5!,f=-13!) USER MOD Single : A 50 THR OG1 : rot -77:sc= 1.02 USER MOD Single : A 54 CYS SG : rot 171:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.9!) USER MOD Single : A 56 MET CE :methyl -143:sc= -0.663 (180deg=-3.31!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -125:sc= -1.59 (180deg=-2.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0655 K(o=-0.065,f=-0.86) USER MOD Single : A 78 SER OG : rot -47:sc= 0.801 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= -0.262 (180deg=-0.576) USER MOD Single : A 86 GLN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.97 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 1.372 0.852 -10.925 1.00 0.00 N ATOM 247 CA ASP A 19 0.032 1.103 -10.407 1.00 0.00 C ATOM 248 C ASP A 19 0.093 1.644 -8.982 1.00 0.00 C ATOM 249 O ASP A 19 -0.743 2.453 -8.578 1.00 0.00 O ATOM 250 CB ASP A 19 -0.801 -0.180 -10.444 1.00 0.00 C ATOM 251 CG ASP A 19 -1.459 -0.405 -11.791 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.890 0.038 -12.811 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.542 -1.024 -11.826 1.00 0.00 O ATOM 0 HA ASP A 19 -0.442 1.853 -11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.162 -1.031 -10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.568 -0.134 -9.671 1.00 0.00 H new ATOM 258 N PHE A 20 1.086 1.191 -8.225 1.00 0.00 N ATOM 259 CA PHE A 20 1.255 1.628 -6.844 1.00 0.00 C ATOM 260 C PHE A 20 1.629 3.106 -6.783 1.00 0.00 C ATOM 261 O PHE A 20 0.913 3.913 -6.191 1.00 0.00 O ATOM 262 CB PHE A 20 2.329 0.789 -6.149 1.00 0.00 C ATOM 263 CG PHE A 20 2.544 1.162 -4.710 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.349 2.238 -4.372 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.940 0.437 -3.695 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.548 2.585 -3.049 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.135 0.779 -2.370 1.00 0.00 C ATOM 268 CZ PHE A 20 2.941 1.853 -2.046 1.00 0.00 C ATOM 0 H PHE A 20 1.786 0.521 -8.544 1.00 0.00 H new ATOM 0 HA PHE A 20 0.305 1.490 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.050 -0.263 -6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.270 0.898 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.827 2.812 -5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.310 -0.405 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.177 3.427 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.657 0.207 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.097 2.120 -1.011 1.00 0.00 H new ATOM 278 N GLU A 21 2.755 3.451 -7.399 1.00 0.00 N ATOM 279 CA GLU A 21 3.225 4.831 -7.413 1.00 0.00 C ATOM 280 C GLU A 21 2.103 5.784 -7.816 1.00 0.00 C ATOM 281 O GLU A 21 2.087 6.946 -7.414 1.00 0.00 O ATOM 282 CB GLU A 21 4.406 4.981 -8.374 1.00 0.00 C ATOM 283 CG GLU A 21 5.757 4.751 -7.718 1.00 0.00 C ATOM 284 CD GLU A 21 6.267 5.977 -6.985 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.272 7.069 -7.590 1.00 0.00 O ATOM 286 OE2 GLU A 21 6.661 5.844 -5.808 1.00 0.00 O ATOM 0 H GLU A 21 3.358 2.794 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 21 3.551 5.087 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.286 4.276 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.387 5.981 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.679 3.920 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.481 4.460 -8.479 1.00 0.00 H new ATOM 293 N ASN A 22 1.167 5.281 -8.615 1.00 0.00 N ATOM 294 CA ASN A 22 0.041 6.087 -9.074 1.00 0.00 C ATOM 295 C ASN A 22 -1.025 6.201 -7.989 1.00 0.00 C ATOM 296 O ASN A 22 -1.565 7.280 -7.746 1.00 0.00 O ATOM 297 CB ASN A 22 -0.566 5.478 -10.339 1.00 0.00 C ATOM 298 CG ASN A 22 0.314 5.678 -11.558 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.949 6.721 -11.713 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.355 4.677 -12.429 1.00 0.00 N ATOM 0 H ASN A 22 1.166 4.320 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 22 0.411 7.087 -9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.729 4.412 -10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.543 5.926 -10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.930 4.754 -13.268 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.188 3.831 -12.259 1.00 0.00 H new ATOM 307 N SER A 23 -1.323 5.080 -7.339 1.00 0.00 N ATOM 308 CA SER A 23 -2.327 5.053 -6.282 1.00 0.00 C ATOM 309 C SER A 23 -1.922 5.962 -5.126 1.00 0.00 C ATOM 310 O SER A 23 -2.700 6.809 -4.686 1.00 0.00 O ATOM 311 CB SER A 23 -2.527 3.623 -5.776 1.00 0.00 C ATOM 312 OG SER A 23 -3.271 2.853 -6.704 1.00 0.00 O ATOM 0 H SER A 23 -0.883 4.179 -7.526 1.00 0.00 H new ATOM 0 HA SER A 23 -3.266 5.418 -6.697 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.557 3.155 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.045 3.642 -4.817 1.00 0.00 H new ATOM 0 HG SER A 23 -2.716 2.660 -7.488 1.00 0.00 H new ATOM 318 N MET A 24 -0.700 5.779 -4.637 1.00 0.00 N ATOM 319 CA MET A 24 -0.190 6.583 -3.532 1.00 0.00 C ATOM 320 C MET A 24 -0.271 8.071 -3.860 1.00 0.00 C ATOM 321 O MET A 24 -0.548 8.894 -2.989 1.00 0.00 O ATOM 322 CB MET A 24 1.256 6.197 -3.216 1.00 0.00 C ATOM 323 CG MET A 24 2.160 6.177 -4.438 1.00 0.00 C ATOM 324 SD MET A 24 3.872 6.579 -4.041 1.00 0.00 S ATOM 325 CE MET A 24 4.177 7.927 -5.179 1.00 0.00 C ATOM 0 H MET A 24 -0.044 5.081 -4.988 1.00 0.00 H new ATOM 0 HA MET A 24 -0.810 6.387 -2.657 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.660 6.899 -2.487 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.267 5.212 -2.750 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.120 5.190 -4.899 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.785 6.888 -5.174 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.160 8.355 -4.982 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.142 7.554 -6.203 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.414 8.694 -5.047 1.00 0.00 H new ATOM 335 N ASN A 25 -0.027 8.408 -5.122 1.00 0.00 N ATOM 336 CA ASN A 25 -0.071 9.798 -5.564 1.00 0.00 C ATOM 337 C ASN A 25 -1.467 10.384 -5.377 1.00 0.00 C ATOM 338 O ASN A 25 -1.626 11.466 -4.813 1.00 0.00 O ATOM 339 CB ASN A 25 0.345 9.901 -7.033 1.00 0.00 C ATOM 340 CG ASN A 25 0.610 11.332 -7.460 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.883 12.198 -6.629 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.531 11.585 -8.761 1.00 0.00 N ATOM 0 H ASN A 25 0.203 7.739 -5.857 1.00 0.00 H new ATOM 0 HA ASN A 25 0.629 10.370 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.242 9.304 -7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.439 9.477 -7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.700 12.529 -9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.302 10.835 -9.413 1.00 0.00 H new ATOM 349 N GLN A 26 -2.475 9.661 -5.855 1.00 0.00 N ATOM 350 CA GLN A 26 -3.858 10.110 -5.740 1.00 0.00 C ATOM 351 C GLN A 26 -4.185 10.505 -4.304 1.00 0.00 C ATOM 352 O GLN A 26 -4.834 11.522 -4.061 1.00 0.00 O ATOM 353 CB GLN A 26 -4.813 9.011 -6.209 1.00 0.00 C ATOM 354 CG GLN A 26 -4.685 8.684 -7.688 1.00 0.00 C ATOM 355 CD GLN A 26 -5.781 7.759 -8.179 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.509 6.680 -8.707 1.00 0.00 O ATOM 357 NE2 GLN A 26 -7.030 8.176 -8.006 1.00 0.00 N ATOM 0 H GLN A 26 -2.360 8.763 -6.325 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.983 10.987 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.627 8.108 -5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.838 9.319 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.711 9.609 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.715 8.221 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.210 9.077 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.809 7.595 -8.315 1.00 0.00 H new ATOM 366 N VAL A 27 -3.731 9.693 -3.354 1.00 0.00 N ATOM 367 CA VAL A 27 -3.974 9.958 -1.941 1.00 0.00 C ATOM 368 C VAL A 27 -3.359 11.287 -1.517 1.00 0.00 C ATOM 369 O VAL A 27 -3.878 11.972 -0.636 1.00 0.00 O ATOM 370 CB VAL A 27 -3.405 8.835 -1.053 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.742 9.087 0.408 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.933 7.481 -1.504 1.00 0.00 C ATOM 0 H VAL A 27 -3.193 8.846 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.055 10.003 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.320 8.829 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.332 8.283 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.312 10.038 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.825 9.120 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.521 6.699 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.021 7.472 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.636 7.300 -2.537 1.00 0.00 H new ATOM 382 N LYS A 28 -2.247 11.646 -2.151 1.00 0.00 N ATOM 383 CA LYS A 28 -1.560 12.895 -1.842 1.00 0.00 C ATOM 384 C LYS A 28 -2.179 14.060 -2.606 1.00 0.00 C ATOM 385 O LYS A 28 -1.983 15.223 -2.251 1.00 0.00 O ATOM 386 CB LYS A 28 -0.073 12.780 -2.183 1.00 0.00 C ATOM 387 CG LYS A 28 0.658 11.726 -1.370 1.00 0.00 C ATOM 388 CD LYS A 28 2.161 11.950 -1.389 1.00 0.00 C ATOM 389 CE LYS A 28 2.789 11.412 -2.665 1.00 0.00 C ATOM 390 NZ LYS A 28 4.248 11.704 -2.731 1.00 0.00 N ATOM 0 H LYS A 28 -1.803 11.090 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.668 13.086 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.031 12.546 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.404 13.747 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.299 11.746 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.432 10.737 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.372 13.016 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.614 11.462 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.631 10.335 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.291 11.853 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.639 11.321 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.398 12.733 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.727 11.262 -1.921 1.00 0.00 H new ATOM 519 N ASN A 36 -6.952 9.917 10.304 1.00 0.00 N ATOM 520 CA ASN A 36 -5.803 9.101 10.679 1.00 0.00 C ATOM 521 C ASN A 36 -6.105 7.617 10.495 1.00 0.00 C ATOM 522 O ASN A 36 -5.198 6.786 10.487 1.00 0.00 O ATOM 523 CB ASN A 36 -5.408 9.376 12.132 1.00 0.00 C ATOM 524 CG ASN A 36 -4.402 10.504 12.255 1.00 0.00 C ATOM 525 OD1 ASN A 36 -4.503 11.518 11.564 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.425 10.331 13.137 1.00 0.00 N ATOM 0 HA ASN A 36 -4.972 9.368 10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.300 9.624 12.707 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.989 8.470 12.569 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.718 11.055 13.264 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.381 9.474 13.688 1.00 0.00 H new ATOM 533 N GLU A 37 -7.386 7.294 10.346 1.00 0.00 N ATOM 534 CA GLU A 37 -7.807 5.910 10.161 1.00 0.00 C ATOM 535 C GLU A 37 -7.230 5.333 8.872 1.00 0.00 C ATOM 536 O GLU A 37 -6.675 4.235 8.864 1.00 0.00 O ATOM 537 CB GLU A 37 -9.335 5.818 10.135 1.00 0.00 C ATOM 538 CG GLU A 37 -9.957 6.378 8.867 1.00 0.00 C ATOM 539 CD GLU A 37 -11.470 6.443 8.939 1.00 0.00 C ATOM 540 OE1 GLU A 37 -12.084 5.462 9.409 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.040 7.474 8.526 1.00 0.00 O ATOM 0 H GLU A 37 -8.149 7.971 10.350 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.429 5.327 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.630 4.774 10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.738 6.354 10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.562 7.377 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.664 5.759 8.019 1.00 0.00 H new ATOM 548 N VAL A 38 -7.366 6.082 7.782 1.00 0.00 N ATOM 549 CA VAL A 38 -6.859 5.646 6.486 1.00 0.00 C ATOM 550 C VAL A 38 -5.364 5.921 6.361 1.00 0.00 C ATOM 551 O VAL A 38 -4.607 5.086 5.866 1.00 0.00 O ATOM 552 CB VAL A 38 -7.597 6.347 5.330 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.593 7.855 5.529 1.00 0.00 C ATOM 554 CG2 VAL A 38 -6.969 5.975 3.995 1.00 0.00 C ATOM 0 H VAL A 38 -7.823 6.994 7.771 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.035 4.572 6.421 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.633 6.009 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.119 8.332 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.092 8.100 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.565 8.215 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.502 6.479 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.923 6.283 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.031 4.896 3.852 1.00 0.00 H new ATOM 564 N LYS A 39 -4.945 7.098 6.814 1.00 0.00 N ATOM 565 CA LYS A 39 -3.540 7.484 6.755 1.00 0.00 C ATOM 566 C LYS A 39 -2.644 6.352 7.247 1.00 0.00 C ATOM 567 O LYS A 39 -1.464 6.284 6.898 1.00 0.00 O ATOM 568 CB LYS A 39 -3.300 8.740 7.595 1.00 0.00 C ATOM 569 CG LYS A 39 -3.531 10.034 6.834 1.00 0.00 C ATOM 570 CD LYS A 39 -4.984 10.473 6.908 1.00 0.00 C ATOM 571 CE LYS A 39 -5.131 11.963 6.640 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.685 12.326 5.267 1.00 0.00 N ATOM 0 H LYS A 39 -5.558 7.801 7.226 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.290 7.696 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.958 8.717 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.276 8.726 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.892 10.817 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.243 9.900 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.572 9.912 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.386 10.238 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.173 12.255 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.548 12.523 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.848 13.340 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.671 12.118 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.224 11.774 4.570 1.00 0.00 H new ATOM 586 N LEU A 40 -3.210 5.464 8.057 1.00 0.00 N ATOM 587 CA LEU A 40 -2.462 4.334 8.596 1.00 0.00 C ATOM 588 C LEU A 40 -2.536 3.135 7.656 1.00 0.00 C ATOM 589 O LEU A 40 -1.521 2.507 7.352 1.00 0.00 O ATOM 590 CB LEU A 40 -3.002 3.949 9.974 1.00 0.00 C ATOM 591 CG LEU A 40 -2.681 4.916 11.115 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.678 4.752 12.251 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.260 4.697 11.614 1.00 0.00 C ATOM 0 H LEU A 40 -4.185 5.505 8.355 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.419 4.634 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.085 3.849 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.608 2.967 10.235 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.759 5.935 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.433 5.448 13.053 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.684 4.959 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.633 3.731 12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.048 5.393 12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.155 3.674 11.976 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.558 4.867 10.798 1.00 0.00 H new ATOM 605 N LYS A 41 -3.743 2.823 7.196 1.00 0.00 N ATOM 606 CA LYS A 41 -3.950 1.702 6.287 1.00 0.00 C ATOM 607 C LYS A 41 -3.111 1.864 5.024 1.00 0.00 C ATOM 608 O LYS A 41 -2.760 0.881 4.369 1.00 0.00 O ATOM 609 CB LYS A 41 -5.430 1.586 5.917 1.00 0.00 C ATOM 610 CG LYS A 41 -5.814 2.386 4.685 1.00 0.00 C ATOM 611 CD LYS A 41 -7.262 2.145 4.292 1.00 0.00 C ATOM 612 CE LYS A 41 -8.155 2.001 5.515 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.593 1.905 5.142 1.00 0.00 N ATOM 0 H LYS A 41 -4.593 3.331 7.438 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.636 0.791 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.672 0.537 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.034 1.921 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.660 3.448 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.161 2.114 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.616 2.973 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.330 1.244 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.865 1.112 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.007 2.855 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.169 1.808 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.877 2.765 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.739 1.075 4.532 1.00 0.00 H new ATOM 627 N LEU A 42 -2.790 3.108 4.687 1.00 0.00 N ATOM 628 CA LEU A 42 -1.989 3.398 3.502 1.00 0.00 C ATOM 629 C LEU A 42 -0.500 3.264 3.805 1.00 0.00 C ATOM 630 O LEU A 42 0.297 2.946 2.922 1.00 0.00 O ATOM 631 CB LEU A 42 -2.293 4.807 2.990 1.00 0.00 C ATOM 632 CG LEU A 42 -3.436 4.922 1.981 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.179 4.026 0.779 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.763 4.572 2.636 1.00 0.00 C ATOM 0 H LEU A 42 -3.072 3.932 5.217 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.250 2.674 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.525 5.441 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.389 5.209 2.532 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.487 5.954 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.003 4.121 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.249 4.324 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.101 2.990 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.565 4.659 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.725 3.550 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.952 5.256 3.463 1.00 0.00 H new ATOM 646 N TYR A 43 -0.133 3.507 5.058 1.00 0.00 N ATOM 647 CA TYR A 43 1.261 3.414 5.477 1.00 0.00 C ATOM 648 C TYR A 43 1.636 1.972 5.806 1.00 0.00 C ATOM 649 O TYR A 43 2.779 1.558 5.617 1.00 0.00 O ATOM 650 CB TYR A 43 1.510 4.307 6.694 1.00 0.00 C ATOM 651 CG TYR A 43 2.563 3.768 7.635 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.227 2.885 8.654 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.895 4.142 7.506 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.186 2.391 9.516 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.861 3.652 8.363 1.00 0.00 C ATOM 656 CZ TYR A 43 4.501 2.777 9.367 1.00 0.00 C ATOM 657 OH TYR A 43 5.460 2.286 10.223 1.00 0.00 O ATOM 0 H TYR A 43 -0.780 3.770 5.801 1.00 0.00 H new ATOM 0 HA TYR A 43 1.886 3.754 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.813 5.297 6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.575 4.431 7.241 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.198 2.580 8.774 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.180 4.828 6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.907 1.706 10.303 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.892 3.952 8.248 1.00 0.00 H new ATOM 0 HH TYR A 43 5.200 1.392 10.527 1.00 0.00 H new ATOM 667 N ALA A 44 0.663 1.212 6.298 1.00 0.00 N ATOM 668 CA ALA A 44 0.889 -0.184 6.650 1.00 0.00 C ATOM 669 C ALA A 44 1.368 -0.984 5.444 1.00 0.00 C ATOM 670 O ALA A 44 2.328 -1.751 5.536 1.00 0.00 O ATOM 671 CB ALA A 44 -0.382 -0.796 7.221 1.00 0.00 C ATOM 0 H ALA A 44 -0.289 1.540 6.462 1.00 0.00 H new ATOM 0 HA ALA A 44 1.670 -0.220 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.199 -1.839 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.680 -0.247 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.178 -0.741 6.478 1.00 0.00 H new ATOM 677 N LEU A 45 0.693 -0.803 4.314 1.00 0.00 N ATOM 678 CA LEU A 45 1.050 -1.509 3.088 1.00 0.00 C ATOM 679 C LEU A 45 2.352 -0.967 2.507 1.00 0.00 C ATOM 680 O LEU A 45 3.236 -1.732 2.118 1.00 0.00 O ATOM 681 CB LEU A 45 -0.073 -1.382 2.058 1.00 0.00 C ATOM 682 CG LEU A 45 -1.282 -2.294 2.267 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.836 -3.681 2.701 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.233 -1.692 3.292 1.00 0.00 C ATOM 0 H LEU A 45 -0.104 -0.174 4.221 1.00 0.00 H new ATOM 0 HA LEU A 45 1.193 -2.562 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.419 -0.348 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.342 -1.583 1.071 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.812 -2.386 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.710 -4.316 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.195 -4.114 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.282 -3.609 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.088 -2.354 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.714 -1.570 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.579 -0.720 2.940 1.00 0.00 H new ATOM 696 N TYR A 46 2.465 0.355 2.454 1.00 0.00 N ATOM 697 CA TYR A 46 3.660 0.999 1.920 1.00 0.00 C ATOM 698 C TYR A 46 4.923 0.348 2.474 1.00 0.00 C ATOM 699 O TYR A 46 5.817 -0.039 1.721 1.00 0.00 O ATOM 700 CB TYR A 46 3.653 2.492 2.256 1.00 0.00 C ATOM 701 CG TYR A 46 4.997 3.159 2.075 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.511 3.398 0.806 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.754 3.550 3.172 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.740 4.007 0.636 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.983 4.161 3.012 1.00 0.00 C ATOM 706 CZ TYR A 46 7.471 4.387 1.742 1.00 0.00 C ATOM 707 OH TYR A 46 8.695 4.994 1.577 1.00 0.00 O ATOM 0 H TYR A 46 1.744 1.002 2.774 1.00 0.00 H new ATOM 0 HA TYR A 46 3.655 0.877 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.920 2.994 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.328 2.622 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.940 3.103 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.375 3.373 4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.126 4.184 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.558 4.460 3.876 1.00 0.00 H new ATOM 0 HH TYR A 46 9.079 5.199 2.455 1.00 0.00 H new ATOM 717 N LYS A 47 4.990 0.230 3.795 1.00 0.00 N ATOM 718 CA LYS A 47 6.142 -0.376 4.453 1.00 0.00 C ATOM 719 C LYS A 47 6.147 -1.889 4.256 1.00 0.00 C ATOM 720 O LYS A 47 7.146 -2.554 4.525 1.00 0.00 O ATOM 721 CB LYS A 47 6.134 -0.045 5.947 1.00 0.00 C ATOM 722 CG LYS A 47 6.040 1.442 6.240 1.00 0.00 C ATOM 723 CD LYS A 47 7.397 2.118 6.133 1.00 0.00 C ATOM 724 CE LYS A 47 8.147 2.075 7.455 1.00 0.00 C ATOM 725 NZ LYS A 47 9.099 3.212 7.590 1.00 0.00 N ATOM 0 H LYS A 47 4.259 0.546 4.432 1.00 0.00 H new ATOM 0 HA LYS A 47 7.045 0.034 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.293 -0.554 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.042 -0.440 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.344 1.908 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.636 1.592 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.990 1.627 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.265 3.154 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.433 2.099 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.692 1.134 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.281 3.395 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.993 2.975 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.689 4.062 7.152 1.00 0.00 H new ATOM 739 N GLN A 48 5.025 -2.423 3.784 1.00 0.00 N ATOM 740 CA GLN A 48 4.902 -3.858 3.551 1.00 0.00 C ATOM 741 C GLN A 48 5.381 -4.224 2.150 1.00 0.00 C ATOM 742 O GLN A 48 5.902 -5.317 1.928 1.00 0.00 O ATOM 743 CB GLN A 48 3.452 -4.304 3.741 1.00 0.00 C ATOM 744 CG GLN A 48 3.302 -5.796 3.991 1.00 0.00 C ATOM 745 CD GLN A 48 3.521 -6.169 5.444 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.395 -5.331 6.338 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.852 -7.431 5.689 1.00 0.00 N ATOM 0 H GLN A 48 4.189 -1.885 3.556 1.00 0.00 H new ATOM 0 HA GLN A 48 5.531 -4.374 4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.020 -3.758 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.878 -4.033 2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.305 -6.113 3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.014 -6.338 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.946 -8.093 4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.013 -7.739 6.648 1.00 0.00 H new ATOM 756 N ALA A 49 5.200 -3.304 1.208 1.00 0.00 N ATOM 757 CA ALA A 49 5.614 -3.530 -0.170 1.00 0.00 C ATOM 758 C ALA A 49 6.994 -2.936 -0.433 1.00 0.00 C ATOM 759 O ALA A 49 7.425 -2.823 -1.582 1.00 0.00 O ATOM 760 CB ALA A 49 4.592 -2.942 -1.132 1.00 0.00 C ATOM 0 H ALA A 49 4.769 -2.395 1.375 1.00 0.00 H new ATOM 0 HA ALA A 49 5.673 -4.606 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.915 -3.118 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.624 -3.416 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.504 -1.869 -0.959 1.00 0.00 H new ATOM 766 N THR A 50 7.684 -2.557 0.638 1.00 0.00 N ATOM 767 CA THR A 50 9.014 -1.973 0.523 1.00 0.00 C ATOM 768 C THR A 50 9.972 -2.581 1.541 1.00 0.00 C ATOM 769 O THR A 50 11.099 -2.943 1.207 1.00 0.00 O ATOM 770 CB THR A 50 8.976 -0.445 0.719 1.00 0.00 C ATOM 771 OG1 THR A 50 8.406 -0.130 1.994 1.00 0.00 O ATOM 772 CG2 THR A 50 8.167 0.222 -0.383 1.00 0.00 C ATOM 0 H THR A 50 7.343 -2.644 1.595 1.00 0.00 H new ATOM 0 HA THR A 50 9.370 -2.194 -0.483 1.00 0.00 H new ATOM 0 HB THR A 50 9.998 -0.069 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.432 -0.230 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.154 1.300 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.620 0.004 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.146 -0.159 -0.366 1.00 0.00 H new ATOM 780 N GLU A 51 9.515 -2.689 2.785 1.00 0.00 N ATOM 781 CA GLU A 51 10.333 -3.254 3.852 1.00 0.00 C ATOM 782 C GLU A 51 9.893 -4.678 4.179 1.00 0.00 C ATOM 783 O GLU A 51 10.674 -5.479 4.691 1.00 0.00 O ATOM 784 CB GLU A 51 10.248 -2.382 5.106 1.00 0.00 C ATOM 785 CG GLU A 51 10.482 -0.905 4.837 1.00 0.00 C ATOM 786 CD GLU A 51 10.761 -0.118 6.103 1.00 0.00 C ATOM 787 OE1 GLU A 51 11.323 -0.702 7.053 1.00 0.00 O ATOM 788 OE2 GLU A 51 10.417 1.082 6.143 1.00 0.00 O ATOM 0 H GLU A 51 8.584 -2.393 3.078 1.00 0.00 H new ATOM 0 HA GLU A 51 11.366 -3.282 3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.265 -2.509 5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.982 -2.731 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.322 -0.793 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.607 -0.487 4.339 1.00 0.00 H new ATOM 795 N GLY A 52 8.635 -4.987 3.879 1.00 0.00 N ATOM 796 CA GLY A 52 8.112 -6.313 4.149 1.00 0.00 C ATOM 797 C GLY A 52 7.344 -6.379 5.454 1.00 0.00 C ATOM 798 O GLY A 52 6.631 -5.448 5.827 1.00 0.00 O ATOM 0 H GLY A 52 7.969 -4.342 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.459 -6.616 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.936 -7.026 4.180 1.00 0.00 H new ATOM 802 N PRO A 53 7.484 -7.504 6.171 1.00 0.00 N ATOM 803 CA PRO A 53 6.805 -7.716 7.453 1.00 0.00 C ATOM 804 C PRO A 53 7.361 -6.825 8.558 1.00 0.00 C ATOM 805 O PRO A 53 8.567 -6.586 8.627 1.00 0.00 O ATOM 806 CB PRO A 53 7.082 -9.189 7.762 1.00 0.00 C ATOM 807 CG PRO A 53 8.343 -9.498 7.031 1.00 0.00 C ATOM 808 CD PRO A 53 8.318 -8.655 5.786 1.00 0.00 C ATOM 0 HA PRO A 53 5.744 -7.471 7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.195 -9.354 8.833 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.263 -9.825 7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.215 -9.266 7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.401 -10.558 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.320 -8.344 5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.891 -9.197 4.942 1.00 0.00 H new ATOM 816 N CYS A 54 6.476 -6.337 9.420 1.00 0.00 N ATOM 817 CA CYS A 54 6.879 -5.472 10.523 1.00 0.00 C ATOM 818 C CYS A 54 8.122 -6.020 11.217 1.00 0.00 C ATOM 819 O CYS A 54 8.045 -6.980 11.983 1.00 0.00 O ATOM 820 CB CYS A 54 5.738 -5.330 11.531 1.00 0.00 C ATOM 821 SG CYS A 54 6.252 -4.694 13.143 1.00 0.00 S ATOM 0 H CYS A 54 5.475 -6.526 9.376 1.00 0.00 H new ATOM 0 HA CYS A 54 7.116 -4.490 10.114 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.981 -4.666 11.115 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.267 -6.303 11.670 1.00 0.00 H new ATOM 0 HG CYS A 54 5.201 -4.434 13.862 1.00 0.00 H new ATOM 827 N ASN A 55 9.267 -5.403 10.942 1.00 0.00 N ATOM 828 CA ASN A 55 10.527 -5.831 11.539 1.00 0.00 C ATOM 829 C ASN A 55 11.122 -4.724 12.405 1.00 0.00 C ATOM 830 O ASN A 55 12.312 -4.739 12.718 1.00 0.00 O ATOM 831 CB ASN A 55 11.523 -6.230 10.448 1.00 0.00 C ATOM 832 CG ASN A 55 11.303 -5.465 9.157 1.00 0.00 C ATOM 833 OD1 ASN A 55 10.852 -6.027 8.159 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.622 -4.176 9.171 1.00 0.00 N ATOM 0 H ASN A 55 9.348 -4.606 10.310 1.00 0.00 H new ATOM 0 HA ASN A 55 10.325 -6.695 12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.538 -6.053 10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.436 -7.299 10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.496 -3.610 8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.993 -3.752 10.021 1.00 0.00 H new ATOM 841 N MET A 56 10.284 -3.767 12.789 1.00 0.00 N ATOM 842 CA MET A 56 10.727 -2.653 13.621 1.00 0.00 C ATOM 843 C MET A 56 10.363 -2.889 15.084 1.00 0.00 C ATOM 844 O MET A 56 9.438 -3.635 15.406 1.00 0.00 O ATOM 845 CB MET A 56 10.103 -1.345 13.133 1.00 0.00 C ATOM 846 CG MET A 56 8.621 -1.460 12.815 1.00 0.00 C ATOM 847 SD MET A 56 7.844 0.143 12.535 1.00 0.00 S ATOM 848 CE MET A 56 8.265 0.994 14.054 1.00 0.00 C ATOM 0 H MET A 56 9.296 -3.740 12.538 1.00 0.00 H new ATOM 0 HA MET A 56 11.812 -2.581 13.542 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.244 -0.578 13.895 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.633 -1.010 12.241 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.491 -2.082 11.930 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.115 -1.966 13.637 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.432 1.627 14.359 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.470 0.263 14.836 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.149 1.610 13.893 1.00 0.00 H new ATOM 858 N PRO A 57 11.107 -2.240 15.992 1.00 0.00 N ATOM 859 CA PRO A 57 10.881 -2.363 17.435 1.00 0.00 C ATOM 860 C PRO A 57 9.583 -1.697 17.877 1.00 0.00 C ATOM 861 O PRO A 57 9.251 -0.600 17.428 1.00 0.00 O ATOM 862 CB PRO A 57 12.087 -1.644 18.045 1.00 0.00 C ATOM 863 CG PRO A 57 12.521 -0.677 16.999 1.00 0.00 C ATOM 864 CD PRO A 57 12.226 -1.335 15.679 1.00 0.00 C ATOM 0 HA PRO A 57 10.786 -3.403 17.746 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.817 -1.133 18.969 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.884 -2.346 18.290 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.984 0.267 17.093 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.583 -0.450 17.093 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.951 -0.604 14.918 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.090 -1.880 15.300 1.00 0.00 H new ATOM 872 N LYS A 58 8.851 -2.366 18.762 1.00 0.00 N ATOM 873 CA LYS A 58 7.590 -1.839 19.267 1.00 0.00 C ATOM 874 C LYS A 58 7.816 -0.559 20.066 1.00 0.00 C ATOM 875 O LYS A 58 8.587 -0.526 21.025 1.00 0.00 O ATOM 876 CB LYS A 58 6.891 -2.882 20.142 1.00 0.00 C ATOM 877 CG LYS A 58 5.436 -2.556 20.434 1.00 0.00 C ATOM 878 CD LYS A 58 4.692 -3.765 20.975 1.00 0.00 C ATOM 879 CE LYS A 58 3.212 -3.468 21.165 1.00 0.00 C ATOM 880 NZ LYS A 58 2.551 -4.479 22.036 1.00 0.00 N ATOM 0 H LYS A 58 9.111 -3.275 19.144 1.00 0.00 H new ATOM 0 HA LYS A 58 6.955 -1.606 18.413 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.945 -3.853 19.649 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.430 -2.973 21.085 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.382 -1.741 21.156 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.950 -2.206 19.523 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.811 -4.604 20.289 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.129 -4.067 21.927 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.094 -2.477 21.604 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.718 -3.447 20.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.544 -4.242 22.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.641 -5.421 21.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.005 -4.481 22.971 1.00 0.00 H new ATOM 894 N PRO A 59 7.128 0.520 19.665 1.00 0.00 N ATOM 895 CA PRO A 59 7.236 1.821 20.331 1.00 0.00 C ATOM 896 C PRO A 59 6.606 1.815 21.720 1.00 0.00 C ATOM 897 O PRO A 59 5.952 0.850 22.111 1.00 0.00 O ATOM 898 CB PRO A 59 6.467 2.762 19.400 1.00 0.00 C ATOM 899 CG PRO A 59 5.503 1.881 18.684 1.00 0.00 C ATOM 900 CD PRO A 59 6.190 0.552 18.529 1.00 0.00 C ATOM 0 HA PRO A 59 8.274 2.112 20.490 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.950 3.540 19.962 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.138 3.264 18.703 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.576 1.777 19.248 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.240 2.299 17.713 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.481 -0.275 18.570 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.711 0.478 17.575 1.00 0.00 H new ATOM 908 N GLY A 60 6.809 2.900 22.461 1.00 0.00 N ATOM 909 CA GLY A 60 6.254 2.999 23.799 1.00 0.00 C ATOM 910 C GLY A 60 4.880 3.639 23.811 1.00 0.00 C ATOM 911 O GLY A 60 4.590 4.520 23.001 1.00 0.00 O ATOM 0 H GLY A 60 7.348 3.712 22.159 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.191 2.003 24.238 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.928 3.582 24.426 1.00 0.00 H new ATOM 915 N VAL A 61 4.029 3.194 24.730 1.00 0.00 N ATOM 916 CA VAL A 61 2.678 3.728 24.844 1.00 0.00 C ATOM 917 C VAL A 61 2.675 5.247 24.716 1.00 0.00 C ATOM 918 O VAL A 61 1.920 5.814 23.926 1.00 0.00 O ATOM 919 CB VAL A 61 2.030 3.335 26.185 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.628 1.868 26.174 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.975 3.630 27.339 1.00 0.00 C ATOM 0 H VAL A 61 4.252 2.464 25.407 1.00 0.00 H new ATOM 0 HA VAL A 61 2.097 3.297 24.029 1.00 0.00 H new ATOM 0 HB VAL A 61 1.129 3.932 26.323 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.172 1.609 27.129 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.912 1.693 25.371 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.511 1.250 26.014 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.501 3.346 28.279 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.895 3.061 27.210 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.207 4.695 27.356 1.00 0.00 H new ATOM 931 N PHE A 62 3.526 5.903 25.499 1.00 0.00 N ATOM 932 CA PHE A 62 3.622 7.358 25.475 1.00 0.00 C ATOM 933 C PHE A 62 3.623 7.879 24.041 1.00 0.00 C ATOM 934 O PHE A 62 3.083 8.948 23.757 1.00 0.00 O ATOM 935 CB PHE A 62 4.889 7.818 26.198 1.00 0.00 C ATOM 936 CG PHE A 62 5.185 7.036 27.446 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.197 6.813 28.390 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.452 6.523 27.673 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.467 6.094 29.539 1.00 0.00 C ATOM 940 CE2 PHE A 62 6.728 5.803 28.820 1.00 0.00 C ATOM 941 CZ PHE A 62 5.734 5.587 29.754 1.00 0.00 C ATOM 0 H PHE A 62 4.159 5.450 26.158 1.00 0.00 H new ATOM 0 HA PHE A 62 2.751 7.764 25.989 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.736 7.735 25.517 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.788 8.873 26.455 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.204 7.205 28.227 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.233 6.688 26.945 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.688 5.929 30.268 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.720 5.410 28.986 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.947 5.023 30.650 1.00 0.00 H new ATOM 951 N ASP A 63 4.235 7.116 23.141 1.00 0.00 N ATOM 952 CA ASP A 63 4.307 7.499 21.736 1.00 0.00 C ATOM 953 C ASP A 63 3.130 6.922 20.955 1.00 0.00 C ATOM 954 O ASP A 63 3.265 5.909 20.267 1.00 0.00 O ATOM 955 CB ASP A 63 5.625 7.023 21.123 1.00 0.00 C ATOM 956 CG ASP A 63 6.731 8.051 21.258 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.302 8.167 22.363 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.026 8.738 20.258 1.00 0.00 O ATOM 0 H ASP A 63 4.688 6.229 23.360 1.00 0.00 H new ATOM 0 HA ASP A 63 4.260 8.586 21.678 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.933 6.096 21.607 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.471 6.796 20.068 1.00 0.00 H new ATOM 963 N LEU A 64 1.978 7.573 21.066 1.00 0.00 N ATOM 964 CA LEU A 64 0.776 7.125 20.370 1.00 0.00 C ATOM 965 C LEU A 64 0.933 7.276 18.860 1.00 0.00 C ATOM 966 O LEU A 64 0.288 6.568 18.086 1.00 0.00 O ATOM 967 CB LEU A 64 -0.440 7.919 20.850 1.00 0.00 C ATOM 968 CG LEU A 64 -0.636 7.997 22.364 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.794 8.922 22.706 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.871 6.609 22.943 1.00 0.00 C ATOM 0 H LEU A 64 1.850 8.413 21.631 1.00 0.00 H new ATOM 0 HA LEU A 64 0.626 6.070 20.597 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.362 8.934 20.461 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.334 7.477 20.410 1.00 0.00 H new ATOM 0 HG LEU A 64 0.272 8.406 22.808 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.918 8.965 23.788 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.586 9.922 22.325 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.709 8.543 22.251 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.009 6.683 24.022 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.763 6.173 22.493 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.010 5.975 22.730 1.00 0.00 H new ATOM 982 N ILE A 65 1.794 8.201 18.449 1.00 0.00 N ATOM 983 CA ILE A 65 2.038 8.441 17.033 1.00 0.00 C ATOM 984 C ILE A 65 2.718 7.242 16.380 1.00 0.00 C ATOM 985 O ILE A 65 2.323 6.802 15.302 1.00 0.00 O ATOM 986 CB ILE A 65 2.909 9.693 16.816 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.256 10.914 17.465 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.132 9.932 15.330 1.00 0.00 C ATOM 989 CD1 ILE A 65 0.981 11.354 16.780 1.00 0.00 C ATOM 0 H ILE A 65 2.334 8.796 19.077 1.00 0.00 H new ATOM 0 HA ILE A 65 1.065 8.600 16.568 1.00 0.00 H new ATOM 0 HB ILE A 65 3.878 9.529 17.287 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.038 10.688 18.509 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.966 11.741 17.460 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.749 10.820 15.193 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.636 9.069 14.894 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.171 10.078 14.837 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.574 12.225 17.294 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.196 11.612 15.743 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.254 10.542 16.809 1.00 0.00 H new ATOM 1001 N ASN A 66 3.743 6.718 17.044 1.00 0.00 N ATOM 1002 CA ASN A 66 4.479 5.568 16.530 1.00 0.00 C ATOM 1003 C ASN A 66 3.689 4.279 16.738 1.00 0.00 C ATOM 1004 O ASN A 66 3.688 3.393 15.883 1.00 0.00 O ATOM 1005 CB ASN A 66 5.842 5.460 17.215 1.00 0.00 C ATOM 1006 CG ASN A 66 6.794 6.560 16.785 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.471 6.446 15.763 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.849 7.633 17.565 1.00 0.00 N ATOM 0 H ASN A 66 4.083 7.071 17.939 1.00 0.00 H new ATOM 0 HA ASN A 66 4.629 5.713 15.460 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.707 5.502 18.296 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.285 4.490 16.987 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.471 8.406 17.326 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.270 7.685 18.403 1.00 0.00 H new ATOM 1015 N LYS A 67 3.017 4.182 17.880 1.00 0.00 N ATOM 1016 CA LYS A 67 2.221 3.004 18.202 1.00 0.00 C ATOM 1017 C LYS A 67 1.091 2.818 17.194 1.00 0.00 C ATOM 1018 O LYS A 67 0.773 1.695 16.804 1.00 0.00 O ATOM 1019 CB LYS A 67 1.644 3.123 19.615 1.00 0.00 C ATOM 1020 CG LYS A 67 1.435 1.784 20.301 1.00 0.00 C ATOM 1021 CD LYS A 67 2.757 1.147 20.695 1.00 0.00 C ATOM 1022 CE LYS A 67 2.606 0.263 21.923 1.00 0.00 C ATOM 1023 NZ LYS A 67 2.793 1.030 23.185 1.00 0.00 N ATOM 0 H LYS A 67 3.008 4.906 18.599 1.00 0.00 H new ATOM 0 HA LYS A 67 2.873 2.132 18.155 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.314 3.732 20.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.691 3.650 19.566 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.817 1.921 21.189 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.891 1.114 19.635 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.139 0.554 19.864 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.492 1.926 20.895 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.618 -0.196 21.920 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.334 -0.547 21.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.535 0.580 23.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.074 2.006 22.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.901 1.041 23.720 1.00 0.00 H new ATOM 1037 N ALA A 68 0.489 3.927 16.776 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.602 3.886 15.811 1.00 0.00 C ATOM 1039 C ALA A 68 -0.170 3.196 14.522 1.00 0.00 C ATOM 1040 O ALA A 68 -0.916 2.401 13.950 1.00 0.00 O ATOM 1041 CB ALA A 68 -1.099 5.294 15.517 1.00 0.00 C ATOM 0 H ALA A 68 0.739 4.864 17.091 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.417 3.307 16.246 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.914 5.249 14.795 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.456 5.754 16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.283 5.890 15.107 1.00 0.00 H new ATOM 1047 N LYS A 69 1.040 3.505 14.068 1.00 0.00 N ATOM 1048 CA LYS A 69 1.574 2.914 12.846 1.00 0.00 C ATOM 1049 C LYS A 69 1.968 1.458 13.072 1.00 0.00 C ATOM 1050 O LYS A 69 1.546 0.569 12.333 1.00 0.00 O ATOM 1051 CB LYS A 69 2.785 3.711 12.356 1.00 0.00 C ATOM 1052 CG LYS A 69 2.425 4.850 11.417 1.00 0.00 C ATOM 1053 CD LYS A 69 2.118 6.127 12.182 1.00 0.00 C ATOM 1054 CE LYS A 69 1.415 7.148 11.301 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.696 8.174 12.106 1.00 0.00 N ATOM 0 H LYS A 69 1.670 4.162 14.528 1.00 0.00 H new ATOM 0 HA LYS A 69 0.793 2.947 12.086 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.316 4.116 13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.472 3.035 11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.249 5.028 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.561 4.568 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.491 5.895 13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.044 6.553 12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.146 7.638 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.707 6.638 10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.230 8.851 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.020 7.710 12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.375 8.679 12.711 1.00 0.00 H new ATOM 1069 N TRP A 70 2.776 1.222 14.099 1.00 0.00 N ATOM 1070 CA TRP A 70 3.226 -0.127 14.423 1.00 0.00 C ATOM 1071 C TRP A 70 2.081 -1.127 14.298 1.00 0.00 C ATOM 1072 O TRP A 70 2.240 -2.196 13.709 1.00 0.00 O ATOM 1073 CB TRP A 70 3.803 -0.168 15.839 1.00 0.00 C ATOM 1074 CG TRP A 70 4.743 -1.314 16.064 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.052 -1.388 15.681 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.445 -2.550 16.722 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.585 -2.595 16.062 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.620 -3.326 16.703 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.300 -3.076 17.328 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.681 -4.598 17.265 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.362 -4.339 17.884 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.546 -5.089 17.851 1.00 0.00 C ATOM 0 H TRP A 70 3.133 1.947 14.722 1.00 0.00 H new ATOM 0 HA TRP A 70 4.005 -0.404 13.713 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.327 0.767 16.037 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.984 -0.233 16.556 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.589 -0.612 15.156 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.544 -2.898 15.895 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.384 -2.505 17.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.592 -5.177 17.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.483 -4.756 18.352 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.563 -6.073 18.296 1.00 0.00 H new ATOM 1093 N ASP A 71 0.928 -0.772 14.856 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.244 -1.638 14.806 1.00 0.00 C ATOM 1095 C ASP A 71 -0.784 -1.739 13.383 1.00 0.00 C ATOM 1096 O ASP A 71 -1.389 -2.743 13.008 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.333 -1.113 15.742 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.107 -1.527 17.183 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.008 -1.257 17.712 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -2.028 -2.121 17.782 1.00 0.00 O ATOM 0 H ASP A 71 0.781 0.109 15.348 1.00 0.00 H new ATOM 0 HA ASP A 71 0.056 -2.633 15.133 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.367 -0.025 15.681 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.303 -1.482 15.409 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.562 -0.692 12.595 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.026 -0.663 11.214 1.00 0.00 C ATOM 1107 C ALA A 72 -0.151 -1.539 10.323 1.00 0.00 C ATOM 1108 O ALA A 72 -0.656 -2.307 9.504 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.047 0.767 10.694 1.00 0.00 C ATOM 0 H ALA A 72 -0.063 0.148 12.890 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.040 -1.062 11.189 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.396 0.774 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.719 1.367 11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.042 1.186 10.740 1.00 0.00 H new ATOM 1115 N TRP A 73 1.161 -1.417 10.486 1.00 0.00 N ATOM 1116 CA TRP A 73 2.106 -2.197 9.695 1.00 0.00 C ATOM 1117 C TRP A 73 2.237 -3.613 10.245 1.00 0.00 C ATOM 1118 O TRP A 73 2.469 -4.561 9.496 1.00 0.00 O ATOM 1119 CB TRP A 73 3.475 -1.515 9.679 1.00 0.00 C ATOM 1120 CG TRP A 73 4.489 -2.238 8.846 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.244 -3.199 7.907 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.909 -2.060 8.879 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.426 -3.629 7.354 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.462 -2.945 7.933 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.768 -1.238 9.614 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.833 -3.030 7.705 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.128 -1.324 9.388 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.650 -2.214 8.439 1.00 0.00 C ATOM 0 H TRP A 73 1.595 -0.785 11.159 1.00 0.00 H new ATOM 0 HA TRP A 73 1.726 -2.256 8.675 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.362 -0.499 9.301 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.845 -1.435 10.701 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.265 -3.567 7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.517 -4.342 6.630 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.375 -0.548 10.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.237 -3.716 6.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.801 -0.695 9.952 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.718 -2.256 8.284 1.00 0.00 H new ATOM 1139 N ASN A 74 2.086 -3.750 11.559 1.00 0.00 N ATOM 1140 CA ASN A 74 2.188 -5.051 12.209 1.00 0.00 C ATOM 1141 C ASN A 74 1.057 -5.973 11.761 1.00 0.00 C ATOM 1142 O ASN A 74 1.292 -7.116 11.372 1.00 0.00 O ATOM 1143 CB ASN A 74 2.157 -4.889 13.730 1.00 0.00 C ATOM 1144 CG ASN A 74 2.109 -6.221 14.452 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.585 -7.235 13.941 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.532 -6.225 15.649 1.00 0.00 N ATOM 0 H ASN A 74 1.893 -2.976 12.194 1.00 0.00 H new ATOM 0 HA ASN A 74 3.137 -5.501 11.918 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.039 -4.336 14.052 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.288 -4.295 14.012 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.470 -7.092 16.183 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.151 -5.361 16.034 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.170 -5.465 11.818 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.337 -6.241 11.417 1.00 0.00 C ATOM 1155 C ALA A 75 -1.055 -7.039 10.148 1.00 0.00 C ATOM 1156 O ALA A 75 -1.475 -8.190 10.020 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.534 -5.325 11.212 1.00 0.00 C ATOM 0 H ALA A 75 -0.381 -4.520 12.138 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.566 -6.947 12.215 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.399 -5.918 10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.756 -4.803 12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.306 -4.597 10.433 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.344 -6.421 9.212 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.007 -7.074 7.952 1.00 0.00 C ATOM 1165 C LEU A 76 0.627 -8.439 8.198 1.00 0.00 C ATOM 1166 O LEU A 76 0.282 -9.422 7.544 1.00 0.00 O ATOM 1167 CB LEU A 76 0.946 -6.196 7.139 1.00 0.00 C ATOM 1168 CG LEU A 76 0.295 -5.096 6.300 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.352 -5.685 5.056 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.730 -4.332 7.126 1.00 0.00 C ATOM 0 H LEU A 76 0.010 -5.469 9.301 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.929 -7.218 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.654 -5.731 7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.522 -6.839 6.474 1.00 0.00 H new ATOM 0 HG LEU A 76 1.071 -4.399 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.810 -4.887 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.406 -6.186 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.116 -6.404 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.183 -3.553 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.503 -5.018 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.238 -3.877 7.986 1.00 0.00 H new ATOM 1182 N GLY A 77 1.555 -8.493 9.148 1.00 0.00 N ATOM 1183 CA GLY A 77 2.221 -9.742 9.466 1.00 0.00 C ATOM 1184 C GLY A 77 3.240 -10.140 8.417 1.00 0.00 C ATOM 1185 O GLY A 77 4.027 -9.311 7.961 1.00 0.00 O ATOM 0 H GLY A 77 1.858 -7.693 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.716 -9.650 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.477 -10.532 9.563 1.00 0.00 H new ATOM 1189 N SER A 78 3.226 -11.413 8.033 1.00 0.00 N ATOM 1190 CA SER A 78 4.160 -11.920 7.035 1.00 0.00 C ATOM 1191 C SER A 78 3.648 -11.647 5.624 1.00 0.00 C ATOM 1192 O SER A 78 3.826 -12.463 4.718 1.00 0.00 O ATOM 1193 CB SER A 78 4.381 -13.421 7.228 1.00 0.00 C ATOM 1194 OG SER A 78 5.362 -13.912 6.331 1.00 0.00 O ATOM 0 H SER A 78 2.578 -12.111 8.398 1.00 0.00 H new ATOM 0 HA SER A 78 5.110 -11.401 7.165 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.692 -13.617 8.254 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.442 -13.953 7.072 1.00 0.00 H new ATOM 0 HG SER A 78 5.176 -13.579 5.428 1.00 0.00 H new ATOM 1200 N LEU A 79 3.011 -10.495 5.445 1.00 0.00 N ATOM 1201 CA LEU A 79 2.472 -10.113 4.144 1.00 0.00 C ATOM 1202 C LEU A 79 3.594 -9.777 3.167 1.00 0.00 C ATOM 1203 O LEU A 79 4.415 -8.892 3.407 1.00 0.00 O ATOM 1204 CB LEU A 79 1.533 -8.915 4.292 1.00 0.00 C ATOM 1205 CG LEU A 79 0.481 -8.747 3.195 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.141 -8.386 1.873 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.346 -10.017 3.050 1.00 0.00 C ATOM 0 H LEU A 79 2.855 -9.809 6.184 1.00 0.00 H new ATOM 0 HA LEU A 79 1.912 -10.960 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.020 -8.997 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.137 -8.008 4.331 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.186 -7.933 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.377 -8.271 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.689 -7.450 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.831 -9.178 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.090 -9.879 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.308 -10.849 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.849 -10.233 3.992 1.00 0.00 H new ATOM 1219 N PRO A 80 3.630 -10.498 2.037 1.00 0.00 N ATOM 1220 CA PRO A 80 4.645 -10.293 0.999 1.00 0.00 C ATOM 1221 C PRO A 80 4.463 -8.969 0.264 1.00 0.00 C ATOM 1222 O PRO A 80 3.501 -8.240 0.505 1.00 0.00 O ATOM 1223 CB PRO A 80 4.420 -11.469 0.045 1.00 0.00 C ATOM 1224 CG PRO A 80 2.991 -11.845 0.239 1.00 0.00 C ATOM 1225 CD PRO A 80 2.683 -11.569 1.684 1.00 0.00 C ATOM 0 HA PRO A 80 5.651 -10.251 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.618 -11.184 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.084 -12.301 0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.342 -11.264 -0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.828 -12.896 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.649 -11.252 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.830 -12.455 2.302 1.00 0.00 H new ATOM 1233 N LYS A 81 5.394 -8.663 -0.633 1.00 0.00 N ATOM 1234 CA LYS A 81 5.336 -7.427 -1.405 1.00 0.00 C ATOM 1235 C LYS A 81 4.295 -7.527 -2.516 1.00 0.00 C ATOM 1236 O LYS A 81 3.567 -6.572 -2.784 1.00 0.00 O ATOM 1237 CB LYS A 81 6.708 -7.112 -2.005 1.00 0.00 C ATOM 1238 CG LYS A 81 7.856 -7.295 -1.027 1.00 0.00 C ATOM 1239 CD LYS A 81 8.148 -6.014 -0.264 1.00 0.00 C ATOM 1240 CE LYS A 81 9.225 -6.225 0.789 1.00 0.00 C ATOM 1241 NZ LYS A 81 9.191 -7.605 1.348 1.00 0.00 N ATOM 0 H LYS A 81 6.198 -9.254 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 81 5.046 -6.621 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.873 -7.754 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.710 -6.084 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.612 -8.091 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.749 -7.609 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.466 -5.239 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.235 -5.658 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.204 -6.035 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.091 -5.503 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.794 -7.652 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.214 -7.851 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.541 -8.277 0.636 1.00 0.00 H new ATOM 1255 N GLU A 82 4.231 -8.690 -3.157 1.00 0.00 N ATOM 1256 CA GLU A 82 3.278 -8.914 -4.238 1.00 0.00 C ATOM 1257 C GLU A 82 1.853 -8.621 -3.777 1.00 0.00 C ATOM 1258 O GLU A 82 1.027 -8.135 -4.549 1.00 0.00 O ATOM 1259 CB GLU A 82 3.377 -10.354 -4.745 1.00 0.00 C ATOM 1260 CG GLU A 82 3.247 -11.396 -3.646 1.00 0.00 C ATOM 1261 CD GLU A 82 3.422 -12.811 -4.161 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.238 -13.009 -5.085 1.00 0.00 O ATOM 1263 OE2 GLU A 82 2.743 -13.721 -3.640 1.00 0.00 O ATOM 0 H GLU A 82 4.827 -9.491 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 82 3.525 -8.233 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.598 -10.523 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.334 -10.488 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.991 -11.200 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.268 -11.303 -3.176 1.00 0.00 H new ATOM 1270 N ALA A 83 1.574 -8.921 -2.513 1.00 0.00 N ATOM 1271 CA ALA A 83 0.250 -8.690 -1.948 1.00 0.00 C ATOM 1272 C ALA A 83 0.145 -7.290 -1.352 1.00 0.00 C ATOM 1273 O ALA A 83 -0.875 -6.618 -1.498 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.064 -9.740 -0.892 1.00 0.00 C ATOM 0 H ALA A 83 2.247 -9.324 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.481 -8.770 -2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.056 -9.555 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.039 -10.731 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.677 -9.687 -0.095 1.00 0.00 H new ATOM 1280 N ALA A 84 1.206 -6.857 -0.679 1.00 0.00 N ATOM 1281 CA ALA A 84 1.233 -5.537 -0.062 1.00 0.00 C ATOM 1282 C ALA A 84 1.019 -4.441 -1.101 1.00 0.00 C ATOM 1283 O ALA A 84 0.434 -3.399 -0.806 1.00 0.00 O ATOM 1284 CB ALA A 84 2.550 -5.323 0.670 1.00 0.00 C ATOM 0 H ALA A 84 2.058 -7.402 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 84 0.417 -5.483 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.556 -4.333 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.662 -6.080 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.376 -5.402 -0.037 1.00 0.00 H new ATOM 1290 N ARG A 85 1.497 -4.684 -2.317 1.00 0.00 N ATOM 1291 CA ARG A 85 1.359 -3.716 -3.399 1.00 0.00 C ATOM 1292 C ARG A 85 -0.054 -3.741 -3.974 1.00 0.00 C ATOM 1293 O ARG A 85 -0.521 -2.753 -4.539 1.00 0.00 O ATOM 1294 CB ARG A 85 2.376 -4.007 -4.504 1.00 0.00 C ATOM 1295 CG ARG A 85 3.755 -3.427 -4.231 1.00 0.00 C ATOM 1296 CD ARG A 85 4.483 -3.089 -5.522 1.00 0.00 C ATOM 1297 NE ARG A 85 5.932 -3.199 -5.379 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.586 -4.355 -5.388 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.924 -5.494 -5.534 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.906 -4.373 -5.252 1.00 0.00 N ATOM 0 H ARG A 85 1.983 -5.542 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 85 1.549 -2.723 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.464 -5.086 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.002 -3.605 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.659 -2.529 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.344 -4.142 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.145 -3.757 -6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.225 -2.075 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 85 6.472 -2.341 -5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.910 -5.484 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.429 -6.380 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.419 -3.499 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.407 -5.261 -5.259 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.727 -4.878 -3.827 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.086 -5.031 -4.333 1.00 0.00 C ATOM 1316 C GLN A 86 -3.098 -4.416 -3.371 1.00 0.00 C ATOM 1317 O GLN A 86 -4.126 -3.887 -3.791 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.407 -6.510 -4.552 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.837 -6.762 -5.004 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.097 -6.273 -6.415 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -3.782 -6.957 -7.389 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.677 -5.085 -6.532 1.00 0.00 N ATOM 0 H GLN A 86 -0.354 -5.706 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.153 -4.506 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.722 -6.915 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.227 -7.054 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.049 -7.830 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.524 -6.265 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.921 -4.552 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.879 -4.705 -7.457 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.798 -4.490 -2.078 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.683 -3.942 -1.056 1.00 0.00 C ATOM 1333 C ASN A 87 -3.683 -2.416 -1.099 1.00 0.00 C ATOM 1334 O ASN A 87 -4.738 -1.788 -1.181 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.254 -4.424 0.331 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.726 -5.835 0.624 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.915 -6.073 0.834 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.792 -6.780 0.639 1.00 0.00 N ATOM 0 H ASN A 87 -1.950 -4.924 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.694 -4.294 -1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.167 -4.384 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.651 -3.747 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.049 -7.748 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.818 -6.537 0.459 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.493 -1.829 -1.043 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.356 -0.377 -1.073 1.00 0.00 C ATOM 1347 C TYR A 88 -3.207 0.227 -2.186 1.00 0.00 C ATOM 1348 O TYR A 88 -4.073 1.066 -1.935 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.890 0.013 -1.268 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.635 1.497 -1.131 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.091 2.392 -2.091 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.061 2.005 -0.041 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.860 3.749 -1.970 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.296 3.360 0.089 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.166 4.228 -0.879 1.00 0.00 C ATOM 1356 OH TYR A 88 0.065 5.578 -0.754 1.00 0.00 O ATOM 0 H TYR A 88 -1.610 -2.335 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.706 0.016 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.281 -0.521 -0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.564 -0.314 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.635 2.021 -2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.425 1.328 0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.221 4.431 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.838 3.738 0.943 1.00 0.00 H new ATOM 0 HH TYR A 88 0.566 5.749 0.071 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.954 -0.205 -3.417 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.697 0.291 -4.569 1.00 0.00 C ATOM 1368 C VAL A 89 -5.187 0.002 -4.428 1.00 0.00 C ATOM 1369 O VAL A 89 -6.025 0.866 -4.688 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.186 -0.336 -5.880 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.761 0.113 -6.167 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.271 -1.854 -5.812 1.00 0.00 C ATOM 0 H VAL A 89 -2.240 -0.898 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.540 1.369 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.821 0.005 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.417 -0.340 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.733 1.199 -6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.110 -0.198 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.906 -2.281 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.661 -2.216 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.307 -2.154 -5.656 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.511 -1.218 -4.014 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.901 -1.622 -3.836 1.00 0.00 C ATOM 1384 C ASP A 90 -7.655 -0.610 -2.979 1.00 0.00 C ATOM 1385 O ASP A 90 -8.866 -0.438 -3.124 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.974 -3.008 -3.193 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.392 -3.408 -2.839 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.261 -3.371 -3.736 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.634 -3.759 -1.666 1.00 0.00 O ATOM 0 H ASP A 90 -4.830 -1.945 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.371 -1.661 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.552 -3.745 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.361 -3.020 -2.292 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.932 0.058 -2.086 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.533 1.053 -1.205 1.00 0.00 C ATOM 1396 C LEU A 91 -7.764 2.367 -1.944 1.00 0.00 C ATOM 1397 O LEU A 91 -8.897 2.832 -2.066 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.639 1.290 0.013 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.217 2.191 1.105 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.269 3.636 0.634 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.602 1.711 1.514 1.00 0.00 C ATOM 0 H LEU A 91 -5.929 -0.072 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.498 0.671 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.400 0.323 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.700 1.725 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.564 2.138 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.683 4.262 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.262 3.976 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.899 3.707 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.998 2.364 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.265 1.733 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.536 0.692 1.894 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.682 2.960 -2.439 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.767 4.218 -3.170 1.00 0.00 C ATOM 1415 C VAL A 92 -7.909 4.192 -4.179 1.00 0.00 C ATOM 1416 O VAL A 92 -8.537 5.216 -4.449 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.451 4.529 -3.908 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.565 5.836 -4.676 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.289 4.576 -2.927 1.00 0.00 C ATOM 0 H VAL A 92 -5.736 2.589 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.955 4.999 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.259 3.731 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.626 6.039 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.370 5.760 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.781 6.648 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.367 4.797 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.471 5.353 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.195 3.612 -2.427 1.00 0.00 H new ATOM 1429 N SER A 93 -8.173 3.014 -4.735 1.00 0.00 N ATOM 1430 CA SER A 93 -9.238 2.854 -5.718 1.00 0.00 C ATOM 1431 C SER A 93 -10.609 2.985 -5.060 1.00 0.00 C ATOM 1432 O SER A 93 -11.555 3.486 -5.666 1.00 0.00 O ATOM 1433 CB SER A 93 -9.121 1.496 -6.412 1.00 0.00 C ATOM 1434 OG SER A 93 -10.022 1.400 -7.502 1.00 0.00 O ATOM 0 H SER A 93 -7.664 2.156 -4.521 1.00 0.00 H new ATOM 0 HA SER A 93 -9.134 3.644 -6.462 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.100 1.352 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.325 0.700 -5.696 1.00 0.00 H new ATOM 0 HG SER A 93 -9.926 0.523 -7.929 1.00 0.00 H new ATOM 1440 N SER A 94 -10.707 2.529 -3.815 1.00 0.00 N ATOM 1441 CA SER A 94 -11.961 2.591 -3.075 1.00 0.00 C ATOM 1442 C SER A 94 -12.411 4.037 -2.887 1.00 0.00 C ATOM 1443 O SER A 94 -13.591 4.357 -3.036 1.00 0.00 O ATOM 1444 CB SER A 94 -11.809 1.911 -1.713 1.00 0.00 C ATOM 1445 OG SER A 94 -13.057 1.444 -1.233 1.00 0.00 O ATOM 0 H SER A 94 -9.932 2.113 -3.298 1.00 0.00 H new ATOM 0 HA SER A 94 -12.721 2.065 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.113 1.077 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.381 2.614 -0.998 1.00 0.00 H new ATOM 0 HG SER A 94 -12.932 1.012 -0.362 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.461 4.906 -2.559 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.757 6.320 -2.350 1.00 0.00 C ATOM 1453 C LEU A 95 -12.167 6.989 -3.658 1.00 0.00 C ATOM 1454 O LEU A 95 -13.272 7.518 -3.777 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.541 7.033 -1.758 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.091 6.558 -0.376 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.683 7.047 -0.075 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -11.063 7.033 0.694 1.00 0.00 C ATOM 0 H LEU A 95 -10.480 4.657 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.589 6.393 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.706 6.919 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.763 8.099 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.083 5.468 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.380 6.699 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.994 6.656 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.664 8.137 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.727 6.686 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.104 8.122 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.055 6.632 0.488 1.00 0.00 H new