USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 25 MET CE :methyl 151:sc= -0.85 (180deg=-2.01!) USER MOD Set 1.2: A 45 MET CE :methyl -123:sc= -3.12 (180deg=-5.35!) USER MOD Set 2.1: A 16 ASN : amide:sc= -2.33 K(o=-3.1,f=-3.9!) USER MOD Set 2.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 55 THR OG1 : rot -171:sc= -0.738 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 51 CYS SG : rot 116:sc= 0.217 USER MOD Single : A 56 TYR OH : rot -13:sc= 0.44 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 177:sc= 0 (180deg=-0.00607) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.566 K(o=-0.57,f=-1.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.00773 K(o=-0.0077,f=-1.3) USER MOD Single : A 76 SER OG : rot -63:sc= 0.982 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.645 7.496 -1.386 1.00 0.00 N ATOM 207 CA ASN A 16 7.508 6.459 -1.940 1.00 0.00 C ATOM 208 C ASN A 16 7.261 5.120 -1.253 1.00 0.00 C ATOM 209 O ASN A 16 7.126 4.087 -1.909 1.00 0.00 O ATOM 210 CB ASN A 16 8.978 6.858 -1.793 1.00 0.00 C ATOM 211 CG ASN A 16 9.468 6.739 -0.363 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.821 7.217 0.569 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.618 6.099 -0.183 1.00 0.00 N ATOM 0 HA ASN A 16 7.272 6.352 -2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.589 6.227 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.109 7.885 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.998 5.988 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.121 5.719 -0.985 1.00 0.00 H new ATOM 220 N THR A 17 7.201 5.145 0.075 1.00 0.00 N ATOM 221 CA THR A 17 6.971 3.934 0.853 1.00 0.00 C ATOM 222 C THR A 17 5.482 3.628 0.966 1.00 0.00 C ATOM 223 O THR A 17 4.645 4.529 0.890 1.00 0.00 O ATOM 224 CB THR A 17 7.568 4.053 2.268 1.00 0.00 C ATOM 225 OG1 THR A 17 8.860 4.667 2.205 1.00 0.00 O ATOM 226 CG2 THR A 17 7.682 2.685 2.924 1.00 0.00 C ATOM 0 H THR A 17 7.309 5.991 0.634 1.00 0.00 H new ATOM 0 HA THR A 17 7.468 3.120 0.325 1.00 0.00 H new ATOM 0 HB THR A 17 6.901 4.672 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.232 4.740 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.106 2.794 3.922 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.693 2.233 2.997 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.329 2.046 2.323 1.00 0.00 H new ATOM 234 N LEU A 18 5.157 2.353 1.148 1.00 0.00 N ATOM 235 CA LEU A 18 3.767 1.928 1.272 1.00 0.00 C ATOM 236 C LEU A 18 3.606 0.916 2.402 1.00 0.00 C ATOM 237 O LEU A 18 4.314 -0.090 2.454 1.00 0.00 O ATOM 238 CB LEU A 18 3.279 1.320 -0.045 1.00 0.00 C ATOM 239 CG LEU A 18 3.746 2.022 -1.321 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.541 1.122 -2.530 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.009 3.341 -1.504 1.00 0.00 C ATOM 0 H LEU A 18 5.837 1.595 1.213 1.00 0.00 H new ATOM 0 HA LEU A 18 3.164 2.806 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.605 0.281 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.189 1.312 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 18 4.811 2.234 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.879 1.638 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.114 0.204 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.483 0.879 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.354 3.827 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.938 3.152 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.207 3.990 -0.651 1.00 0.00 H new ATOM 253 N TYR A 19 2.669 1.188 3.304 1.00 0.00 N ATOM 254 CA TYR A 19 2.415 0.302 4.433 1.00 0.00 C ATOM 255 C TYR A 19 1.524 -0.866 4.020 1.00 0.00 C ATOM 256 O TYR A 19 0.329 -0.696 3.781 1.00 0.00 O ATOM 257 CB TYR A 19 1.761 1.076 5.579 1.00 0.00 C ATOM 258 CG TYR A 19 1.763 0.329 6.893 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.712 -0.512 7.238 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.815 0.464 7.790 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.709 -1.196 8.439 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.822 -0.217 8.992 1.00 0.00 C ATOM 263 CZ TYR A 19 1.766 -1.045 9.312 1.00 0.00 C ATOM 264 OH TYR A 19 1.768 -1.726 10.508 1.00 0.00 O ATOM 0 H TYR A 19 2.073 2.015 3.275 1.00 0.00 H new ATOM 0 HA TYR A 19 3.372 -0.096 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.282 2.025 5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.732 1.312 5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.117 -0.633 6.556 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.642 1.113 7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.116 -1.845 8.692 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.649 -0.102 9.677 1.00 0.00 H new ATOM 0 HH TYR A 19 2.584 -1.510 11.006 1.00 0.00 H new ATOM 274 N VAL A 20 2.117 -2.053 3.939 1.00 0.00 N ATOM 275 CA VAL A 20 1.379 -3.251 3.556 1.00 0.00 C ATOM 276 C VAL A 20 1.146 -4.160 4.757 1.00 0.00 C ATOM 277 O VAL A 20 2.005 -4.283 5.631 1.00 0.00 O ATOM 278 CB VAL A 20 2.120 -4.042 2.463 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.233 -5.145 1.906 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.586 -3.110 1.354 1.00 0.00 C ATOM 0 H VAL A 20 3.106 -2.211 4.133 1.00 0.00 H new ATOM 0 HA VAL A 20 0.418 -2.918 3.164 1.00 0.00 H new ATOM 0 HB VAL A 20 2.999 -4.507 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.775 -5.693 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.955 -5.828 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.333 -4.706 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.108 -3.686 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.723 -2.614 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.261 -2.361 1.768 1.00 0.00 H new ATOM 290 N TYR A 21 -0.019 -4.796 4.794 1.00 0.00 N ATOM 291 CA TYR A 21 -0.366 -5.694 5.890 1.00 0.00 C ATOM 292 C TYR A 21 -1.044 -6.956 5.366 1.00 0.00 C ATOM 293 O TYR A 21 -2.017 -6.887 4.617 1.00 0.00 O ATOM 294 CB TYR A 21 -1.284 -4.985 6.887 1.00 0.00 C ATOM 295 CG TYR A 21 -1.947 -5.921 7.871 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.041 -6.692 7.497 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.482 -6.035 9.175 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.651 -7.549 8.392 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.085 -6.890 10.077 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.169 -7.645 9.681 1.00 0.00 C ATOM 301 OH TYR A 21 -3.773 -8.497 10.577 1.00 0.00 O ATOM 0 H TYR A 21 -0.740 -4.707 4.078 1.00 0.00 H new ATOM 0 HA TYR A 21 0.556 -5.982 6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.705 -4.244 7.437 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.054 -4.444 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.421 -6.620 6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.634 -5.445 9.489 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.501 -8.141 8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.710 -6.967 11.087 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.311 -8.446 11.440 1.00 0.00 H new ATOM 311 N GLY A 22 -0.521 -8.111 5.768 1.00 0.00 N ATOM 312 CA GLY A 22 -1.088 -9.373 5.331 1.00 0.00 C ATOM 313 C GLY A 22 -1.150 -10.398 6.446 1.00 0.00 C ATOM 314 O GLY A 22 -0.998 -10.058 7.619 1.00 0.00 O ATOM 0 H GLY A 22 0.285 -8.195 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.092 -9.202 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.492 -9.770 4.509 1.00 0.00 H new ATOM 318 N GLU A 23 -1.375 -11.656 6.080 1.00 0.00 N ATOM 319 CA GLU A 23 -1.459 -12.733 7.060 1.00 0.00 C ATOM 320 C GLU A 23 -0.607 -13.925 6.633 1.00 0.00 C ATOM 321 O GLU A 23 0.273 -14.368 7.371 1.00 0.00 O ATOM 322 CB GLU A 23 -2.913 -13.172 7.245 1.00 0.00 C ATOM 323 CG GLU A 23 -3.791 -12.113 7.891 1.00 0.00 C ATOM 324 CD GLU A 23 -4.961 -12.708 8.649 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.945 -13.115 7.997 1.00 0.00 O ATOM 326 OE2 GLU A 23 -4.893 -12.768 9.895 1.00 0.00 O ATOM 0 H GLU A 23 -1.502 -11.954 5.113 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.077 -12.357 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.331 -13.435 6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.936 -14.074 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.188 -11.513 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.167 -11.439 7.121 1.00 0.00 H new ATOM 333 N ASP A 24 -0.876 -14.439 5.439 1.00 0.00 N ATOM 334 CA ASP A 24 -0.134 -15.579 4.912 1.00 0.00 C ATOM 335 C ASP A 24 0.681 -15.178 3.687 1.00 0.00 C ATOM 336 O ASP A 24 0.745 -15.915 2.703 1.00 0.00 O ATOM 337 CB ASP A 24 -1.093 -16.716 4.553 1.00 0.00 C ATOM 338 CG ASP A 24 -2.074 -17.020 5.668 1.00 0.00 C ATOM 339 OD1 ASP A 24 -1.689 -17.734 6.618 1.00 0.00 O ATOM 340 OD2 ASP A 24 -3.225 -16.545 5.590 1.00 0.00 O ATOM 0 H ASP A 24 -1.603 -14.085 4.817 1.00 0.00 H new ATOM 0 HA ASP A 24 0.553 -15.923 5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.644 -16.451 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.518 -17.613 4.324 1.00 0.00 H new ATOM 345 N MET A 25 1.303 -14.005 3.755 1.00 0.00 N ATOM 346 CA MET A 25 2.115 -13.507 2.650 1.00 0.00 C ATOM 347 C MET A 25 3.596 -13.522 3.015 1.00 0.00 C ATOM 348 O MET A 25 3.960 -13.407 4.186 1.00 0.00 O ATOM 349 CB MET A 25 1.685 -12.088 2.273 1.00 0.00 C ATOM 350 CG MET A 25 1.131 -11.290 3.442 1.00 0.00 C ATOM 351 SD MET A 25 2.366 -10.977 4.717 1.00 0.00 S ATOM 352 CE MET A 25 2.467 -9.190 4.660 1.00 0.00 C ATOM 0 H MET A 25 1.260 -13.383 4.562 1.00 0.00 H new ATOM 0 HA MET A 25 1.963 -14.165 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.540 -11.557 1.854 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.929 -12.142 1.490 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.743 -10.339 3.076 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.291 -11.830 3.880 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.744 -8.810 5.643 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.219 -8.891 3.930 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.499 -8.780 4.372 1.00 0.00 H new ATOM 362 N THR A 26 4.448 -13.664 2.004 1.00 0.00 N ATOM 363 CA THR A 26 5.890 -13.695 2.219 1.00 0.00 C ATOM 364 C THR A 26 6.593 -12.635 1.380 1.00 0.00 C ATOM 365 O THR A 26 6.081 -12.174 0.360 1.00 0.00 O ATOM 366 CB THR A 26 6.478 -15.077 1.878 1.00 0.00 C ATOM 367 OG1 THR A 26 5.805 -15.630 0.741 1.00 0.00 O ATOM 368 CG2 THR A 26 6.351 -16.026 3.060 1.00 0.00 C ATOM 0 H THR A 26 4.165 -13.759 1.029 1.00 0.00 H new ATOM 0 HA THR A 26 6.057 -13.488 3.276 1.00 0.00 H new ATOM 0 HB THR A 26 7.536 -14.950 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.186 -16.508 0.530 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.773 -16.995 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.890 -15.617 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.299 -16.147 3.318 1.00 0.00 H new ATOM 376 N PRO A 27 7.797 -12.236 1.818 1.00 0.00 N ATOM 377 CA PRO A 27 8.598 -11.225 1.120 1.00 0.00 C ATOM 378 C PRO A 27 8.695 -11.495 -0.378 1.00 0.00 C ATOM 379 O PRO A 27 8.237 -10.694 -1.194 1.00 0.00 O ATOM 380 CB PRO A 27 9.975 -11.350 1.776 1.00 0.00 C ATOM 381 CG PRO A 27 9.700 -11.895 3.135 1.00 0.00 C ATOM 382 CD PRO A 27 8.470 -12.742 3.026 1.00 0.00 C ATOM 0 HA PRO A 27 8.160 -10.230 1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.625 -12.015 1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.476 -10.384 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.544 -12.485 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.550 -11.087 3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.720 -13.799 2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.837 -12.642 3.908 1.00 0.00 H new ATOM 390 N THR A 28 9.293 -12.627 -0.734 1.00 0.00 N ATOM 391 CA THR A 28 9.450 -13.002 -2.133 1.00 0.00 C ATOM 392 C THR A 28 8.148 -12.813 -2.903 1.00 0.00 C ATOM 393 O THR A 28 8.157 -12.459 -4.083 1.00 0.00 O ATOM 394 CB THR A 28 9.909 -14.465 -2.275 1.00 0.00 C ATOM 395 OG1 THR A 28 11.168 -14.649 -1.618 1.00 0.00 O ATOM 396 CG2 THR A 28 10.035 -14.853 -3.741 1.00 0.00 C ATOM 0 H THR A 28 9.677 -13.301 -0.072 1.00 0.00 H new ATOM 0 HA THR A 28 10.214 -12.347 -2.551 1.00 0.00 H new ATOM 0 HB THR A 28 9.159 -15.105 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.452 -15.582 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.360 -15.891 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.068 -14.739 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.767 -14.207 -4.227 1.00 0.00 H new ATOM 404 N LEU A 29 7.028 -13.049 -2.228 1.00 0.00 N ATOM 405 CA LEU A 29 5.716 -12.904 -2.848 1.00 0.00 C ATOM 406 C LEU A 29 5.432 -11.445 -3.187 1.00 0.00 C ATOM 407 O LEU A 29 5.004 -11.125 -4.297 1.00 0.00 O ATOM 408 CB LEU A 29 4.628 -13.445 -1.919 1.00 0.00 C ATOM 409 CG LEU A 29 3.291 -13.786 -2.578 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.436 -14.630 -1.645 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.553 -12.517 -2.977 1.00 0.00 C ATOM 0 H LEU A 29 7.003 -13.342 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 29 5.714 -13.480 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.009 -14.342 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.447 -12.708 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 29 3.490 -14.365 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.488 -14.863 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.960 -15.556 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.246 -14.077 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.604 -12.780 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.366 -11.911 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.160 -11.950 -3.683 1.00 0.00 H new ATOM 423 N LEU A 30 5.674 -10.562 -2.225 1.00 0.00 N ATOM 424 CA LEU A 30 5.447 -9.134 -2.421 1.00 0.00 C ATOM 425 C LEU A 30 6.319 -8.594 -3.550 1.00 0.00 C ATOM 426 O LEU A 30 5.937 -7.654 -4.248 1.00 0.00 O ATOM 427 CB LEU A 30 5.735 -8.369 -1.128 1.00 0.00 C ATOM 428 CG LEU A 30 5.197 -8.997 0.158 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.386 -8.052 1.334 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.730 -9.366 -0.002 1.00 0.00 C ATOM 0 H LEU A 30 6.028 -10.809 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 30 4.401 -8.992 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.815 -8.256 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.317 -7.367 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 30 5.761 -9.908 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.997 -8.516 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.447 -7.839 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.849 -7.122 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.364 -9.812 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.152 -8.470 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.622 -10.081 -0.817 1.00 0.00 H new ATOM 442 N ARG A 31 7.490 -9.196 -3.725 1.00 0.00 N ATOM 443 CA ARG A 31 8.416 -8.776 -4.771 1.00 0.00 C ATOM 444 C ARG A 31 7.769 -8.890 -6.148 1.00 0.00 C ATOM 445 O ARG A 31 7.938 -8.018 -6.998 1.00 0.00 O ATOM 446 CB ARG A 31 9.690 -9.621 -4.722 1.00 0.00 C ATOM 447 CG ARG A 31 10.758 -9.061 -3.797 1.00 0.00 C ATOM 448 CD ARG A 31 12.154 -9.461 -4.250 1.00 0.00 C ATOM 449 NE ARG A 31 12.677 -8.559 -5.272 1.00 0.00 N ATOM 450 CZ ARG A 31 13.737 -8.835 -6.024 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.382 -9.983 -5.870 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.153 -7.963 -6.933 1.00 0.00 N ATOM 0 H ARG A 31 7.821 -9.976 -3.157 1.00 0.00 H new ATOM 0 HA ARG A 31 8.674 -7.732 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.434 -10.630 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.100 -9.703 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.682 -7.974 -3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.587 -9.420 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.826 -9.465 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.131 -10.478 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 31 12.202 -7.668 -5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.065 -10.657 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.195 -10.193 -6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.659 -7.079 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.967 -8.176 -7.509 1.00 0.00 H new ATOM 466 N GLY A 32 7.027 -9.973 -6.360 1.00 0.00 N ATOM 467 CA GLY A 32 6.367 -10.182 -7.635 1.00 0.00 C ATOM 468 C GLY A 32 4.962 -9.613 -7.660 1.00 0.00 C ATOM 469 O GLY A 32 4.315 -9.586 -8.707 1.00 0.00 O ATOM 0 H GLY A 32 6.871 -10.709 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.957 -9.720 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.327 -11.250 -7.849 1.00 0.00 H new ATOM 473 N ALA A 33 4.488 -9.160 -6.505 1.00 0.00 N ATOM 474 CA ALA A 33 3.151 -8.590 -6.398 1.00 0.00 C ATOM 475 C ALA A 33 3.185 -7.075 -6.571 1.00 0.00 C ATOM 476 O ALA A 33 2.260 -6.483 -7.127 1.00 0.00 O ATOM 477 CB ALA A 33 2.525 -8.957 -5.061 1.00 0.00 C ATOM 0 H ALA A 33 5.010 -9.177 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 33 2.540 -9.007 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.527 -8.524 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.457 -10.042 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.143 -8.568 -4.251 1.00 0.00 H new ATOM 483 N PHE A 34 4.257 -6.454 -6.091 1.00 0.00 N ATOM 484 CA PHE A 34 4.411 -5.007 -6.191 1.00 0.00 C ATOM 485 C PHE A 34 5.217 -4.630 -7.431 1.00 0.00 C ATOM 486 O PHE A 34 5.120 -3.509 -7.931 1.00 0.00 O ATOM 487 CB PHE A 34 5.095 -4.457 -4.938 1.00 0.00 C ATOM 488 CG PHE A 34 4.187 -4.383 -3.743 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.820 -5.533 -3.063 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.701 -3.164 -3.300 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.984 -5.468 -1.964 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.866 -3.092 -2.202 1.00 0.00 C ATOM 493 CZ PHE A 34 2.508 -4.245 -1.532 1.00 0.00 C ATOM 0 H PHE A 34 5.032 -6.930 -5.629 1.00 0.00 H new ATOM 0 HA PHE A 34 3.418 -4.567 -6.277 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.951 -5.086 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.482 -3.461 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.191 -6.491 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.978 -2.259 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.703 -6.372 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.494 -2.135 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.857 -4.191 -0.672 1.00 0.00 H new ATOM 503 N SER A 35 6.013 -5.574 -7.921 1.00 0.00 N ATOM 504 CA SER A 35 6.840 -5.341 -9.100 1.00 0.00 C ATOM 505 C SER A 35 5.980 -4.949 -10.298 1.00 0.00 C ATOM 506 O SER A 35 6.280 -4.003 -11.026 1.00 0.00 O ATOM 507 CB SER A 35 7.657 -6.592 -9.431 1.00 0.00 C ATOM 508 OG SER A 35 7.852 -6.717 -10.829 1.00 0.00 O ATOM 0 H SER A 35 6.103 -6.508 -7.520 1.00 0.00 H new ATOM 0 HA SER A 35 7.521 -4.519 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.623 -6.543 -8.929 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.145 -7.476 -9.051 1.00 0.00 H new ATOM 0 HG SER A 35 8.378 -7.523 -11.015 1.00 0.00 H new ATOM 514 N PRO A 36 4.885 -5.694 -10.508 1.00 0.00 N ATOM 515 CA PRO A 36 3.958 -5.444 -11.615 1.00 0.00 C ATOM 516 C PRO A 36 3.569 -3.973 -11.726 1.00 0.00 C ATOM 517 O PRO A 36 3.099 -3.522 -12.770 1.00 0.00 O ATOM 518 CB PRO A 36 2.737 -6.294 -11.256 1.00 0.00 C ATOM 519 CG PRO A 36 3.277 -7.390 -10.403 1.00 0.00 C ATOM 520 CD PRO A 36 4.466 -6.837 -9.679 1.00 0.00 C ATOM 0 HA PRO A 36 4.400 -5.694 -12.579 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.990 -5.708 -10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.253 -6.689 -12.149 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.522 -7.736 -9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.561 -8.248 -11.012 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.208 -6.524 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.260 -7.578 -9.590 1.00 0.00 H new ATOM 528 N PHE A 37 3.769 -3.231 -10.642 1.00 0.00 N ATOM 529 CA PHE A 37 3.438 -1.811 -10.617 1.00 0.00 C ATOM 530 C PHE A 37 4.639 -0.966 -11.033 1.00 0.00 C ATOM 531 O PHE A 37 4.491 0.052 -11.710 1.00 0.00 O ATOM 532 CB PHE A 37 2.971 -1.399 -9.219 1.00 0.00 C ATOM 533 CG PHE A 37 1.615 -1.935 -8.858 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.483 -3.179 -8.263 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.472 -1.194 -9.115 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.237 -3.675 -7.930 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.776 -1.685 -8.783 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.894 -2.928 -8.191 1.00 0.00 C ATOM 0 H PHE A 37 4.158 -3.589 -9.770 1.00 0.00 H new ATOM 0 HA PHE A 37 2.630 -1.639 -11.328 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.698 -1.747 -8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.951 -0.311 -9.157 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.364 -3.768 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.558 -0.223 -9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.148 -4.646 -7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.659 -1.097 -8.986 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.869 -3.314 -7.933 1.00 0.00 H new ATOM 548 N GLY A 38 5.828 -1.395 -10.623 1.00 0.00 N ATOM 549 CA GLY A 38 7.037 -0.667 -10.962 1.00 0.00 C ATOM 550 C GLY A 38 8.293 -1.391 -10.521 1.00 0.00 C ATOM 551 O GLY A 38 8.469 -2.574 -10.809 1.00 0.00 O ATOM 0 H GLY A 38 5.976 -2.234 -10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.072 -0.509 -12.040 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.007 0.318 -10.496 1.00 0.00 H new ATOM 555 N ASN A 39 9.170 -0.679 -9.821 1.00 0.00 N ATOM 556 CA ASN A 39 10.418 -1.261 -9.341 1.00 0.00 C ATOM 557 C ASN A 39 10.543 -1.109 -7.828 1.00 0.00 C ATOM 558 O ASN A 39 10.299 -0.034 -7.280 1.00 0.00 O ATOM 559 CB ASN A 39 11.613 -0.599 -10.032 1.00 0.00 C ATOM 560 CG ASN A 39 12.933 -1.230 -9.633 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.076 -2.453 -9.635 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.907 -0.395 -9.288 1.00 0.00 N ATOM 0 H ASN A 39 9.040 0.302 -9.574 1.00 0.00 H new ATOM 0 HA ASN A 39 10.410 -2.324 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.490 -0.672 -11.113 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.631 0.462 -9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.818 -0.761 -9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.744 0.612 -9.301 1.00 0.00 H new ATOM 569 N ILE A 40 10.926 -2.192 -7.160 1.00 0.00 N ATOM 570 CA ILE A 40 11.084 -2.179 -5.711 1.00 0.00 C ATOM 571 C ILE A 40 12.540 -1.949 -5.320 1.00 0.00 C ATOM 572 O ILE A 40 13.402 -2.790 -5.576 1.00 0.00 O ATOM 573 CB ILE A 40 10.596 -3.496 -5.079 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.193 -3.840 -5.584 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.608 -3.391 -3.561 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.780 -5.265 -5.294 1.00 0.00 C ATOM 0 H ILE A 40 11.133 -3.089 -7.599 1.00 0.00 H new ATOM 0 HA ILE A 40 10.474 -1.358 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 40 11.274 -4.297 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.474 -3.161 -5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.151 -3.670 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.261 -4.329 -3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.622 -3.187 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.949 -2.581 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.775 -5.438 -5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.477 -5.951 -5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.789 -5.435 -4.217 1.00 0.00 H new ATOM 588 N ILE A 41 12.806 -0.806 -4.697 1.00 0.00 N ATOM 589 CA ILE A 41 14.158 -0.468 -4.267 1.00 0.00 C ATOM 590 C ILE A 41 14.351 -0.755 -2.782 1.00 0.00 C ATOM 591 O ILE A 41 15.473 -0.963 -2.320 1.00 0.00 O ATOM 592 CB ILE A 41 14.480 1.014 -4.538 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.314 1.901 -4.096 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.785 1.228 -6.013 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.604 3.381 -4.212 1.00 0.00 C ATOM 0 H ILE A 41 12.104 -0.099 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 41 14.839 -1.092 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 41 15.362 1.291 -3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.438 1.662 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 41 13.063 1.668 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.011 2.280 -6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.643 0.620 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.920 0.938 -6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.734 3.949 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.461 3.634 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.826 3.628 -5.250 1.00 0.00 H new ATOM 607 N ASP A 42 13.249 -0.765 -2.039 1.00 0.00 N ATOM 608 CA ASP A 42 13.296 -1.030 -0.606 1.00 0.00 C ATOM 609 C ASP A 42 12.105 -1.878 -0.171 1.00 0.00 C ATOM 610 O ASP A 42 10.972 -1.399 -0.123 1.00 0.00 O ATOM 611 CB ASP A 42 13.315 0.284 0.177 1.00 0.00 C ATOM 612 CG ASP A 42 14.033 0.156 1.506 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.207 -0.270 1.507 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.421 0.480 2.545 1.00 0.00 O ATOM 0 H ASP A 42 12.313 -0.593 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 42 14.211 -1.584 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.801 1.054 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.291 0.615 0.351 1.00 0.00 H new ATOM 619 N LEU A 43 12.369 -3.142 0.145 1.00 0.00 N ATOM 620 CA LEU A 43 11.319 -4.058 0.575 1.00 0.00 C ATOM 621 C LEU A 43 11.714 -4.772 1.864 1.00 0.00 C ATOM 622 O LEU A 43 12.610 -5.617 1.868 1.00 0.00 O ATOM 623 CB LEU A 43 11.029 -5.084 -0.522 1.00 0.00 C ATOM 624 CG LEU A 43 10.234 -6.318 -0.093 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.995 -5.910 0.689 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.851 -7.153 -1.306 1.00 0.00 C ATOM 0 H LEU A 43 13.301 -3.555 0.111 1.00 0.00 H new ATOM 0 HA LEU A 43 10.418 -3.475 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.483 -4.585 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.979 -5.416 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 43 10.864 -6.925 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.442 -6.801 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.293 -5.355 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.361 -5.281 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.286 -8.027 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.239 -6.555 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.753 -7.476 -1.825 1.00 0.00 H new ATOM 638 N SER A 44 11.038 -4.429 2.956 1.00 0.00 N ATOM 639 CA SER A 44 11.320 -5.037 4.251 1.00 0.00 C ATOM 640 C SER A 44 10.036 -5.539 4.906 1.00 0.00 C ATOM 641 O SER A 44 9.022 -4.842 4.924 1.00 0.00 O ATOM 642 CB SER A 44 12.014 -4.030 5.170 1.00 0.00 C ATOM 643 OG SER A 44 12.854 -4.686 6.104 1.00 0.00 O ATOM 0 H SER A 44 10.292 -3.734 2.970 1.00 0.00 H new ATOM 0 HA SER A 44 11.982 -5.888 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.603 -3.334 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.266 -3.441 5.700 1.00 0.00 H new ATOM 0 HG SER A 44 13.287 -4.020 6.678 1.00 0.00 H new ATOM 649 N MET A 45 10.090 -6.753 5.443 1.00 0.00 N ATOM 650 CA MET A 45 8.932 -7.349 6.101 1.00 0.00 C ATOM 651 C MET A 45 9.122 -7.378 7.614 1.00 0.00 C ATOM 652 O MET A 45 10.248 -7.447 8.106 1.00 0.00 O ATOM 653 CB MET A 45 8.696 -8.767 5.577 1.00 0.00 C ATOM 654 CG MET A 45 7.792 -8.821 4.356 1.00 0.00 C ATOM 655 SD MET A 45 6.048 -8.967 4.788 1.00 0.00 S ATOM 656 CE MET A 45 5.592 -10.432 3.865 1.00 0.00 C ATOM 0 H MET A 45 10.922 -7.343 5.436 1.00 0.00 H new ATOM 0 HA MET A 45 8.060 -6.736 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.657 -9.218 5.328 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.257 -9.371 6.371 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.940 -7.921 3.759 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.080 -9.668 3.733 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.767 -10.196 3.193 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.447 -10.776 3.283 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.284 -11.216 4.556 1.00 0.00 H new ATOM 666 N ASP A 46 8.014 -7.325 8.345 1.00 0.00 N ATOM 667 CA ASP A 46 8.059 -7.346 9.803 1.00 0.00 C ATOM 668 C ASP A 46 7.115 -8.407 10.360 1.00 0.00 C ATOM 669 O ASP A 46 5.917 -8.178 10.533 1.00 0.00 O ATOM 670 CB ASP A 46 7.692 -5.972 10.366 1.00 0.00 C ATOM 671 CG ASP A 46 8.175 -5.783 11.790 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.356 -6.084 12.062 1.00 0.00 O ATOM 673 OD2 ASP A 46 7.372 -5.331 12.633 1.00 0.00 O ATOM 0 H ASP A 46 7.074 -7.267 7.953 1.00 0.00 H new ATOM 0 HA ASP A 46 9.076 -7.594 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.123 -5.196 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.610 -5.846 10.333 1.00 0.00 H new ATOM 678 N PRO A 47 7.663 -9.597 10.647 1.00 0.00 N ATOM 679 CA PRO A 47 6.888 -10.717 11.188 1.00 0.00 C ATOM 680 C PRO A 47 6.006 -10.298 12.359 1.00 0.00 C ATOM 681 O PRO A 47 4.842 -10.687 12.461 1.00 0.00 O ATOM 682 CB PRO A 47 7.963 -11.701 11.653 1.00 0.00 C ATOM 683 CG PRO A 47 9.148 -11.398 10.802 1.00 0.00 C ATOM 684 CD PRO A 47 9.084 -9.940 10.465 1.00 0.00 C ATOM 0 HA PRO A 47 6.202 -11.133 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.191 -11.568 12.711 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.637 -12.733 11.525 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.072 -11.631 11.331 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.137 -12.004 9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.725 -9.350 11.120 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.413 -9.751 9.443 1.00 0.00 H new ATOM 692 N PRO A 48 6.570 -9.487 13.266 1.00 0.00 N ATOM 693 CA PRO A 48 5.851 -8.997 14.446 1.00 0.00 C ATOM 694 C PRO A 48 4.473 -8.446 14.098 1.00 0.00 C ATOM 695 O PRO A 48 3.452 -8.996 14.511 1.00 0.00 O ATOM 696 CB PRO A 48 6.756 -7.881 14.974 1.00 0.00 C ATOM 697 CG PRO A 48 8.121 -8.242 14.498 1.00 0.00 C ATOM 698 CD PRO A 48 7.953 -8.984 13.208 1.00 0.00 C ATOM 0 HA PRO A 48 5.664 -9.791 15.169 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.448 -6.908 14.592 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.719 -7.823 16.062 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.728 -7.348 14.353 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.635 -8.860 15.234 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.105 -8.331 12.349 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.671 -9.799 13.120 1.00 0.00 H new ATOM 706 N ARG A 49 4.451 -7.358 13.336 1.00 0.00 N ATOM 707 CA ARG A 49 3.197 -6.732 12.934 1.00 0.00 C ATOM 708 C ARG A 49 2.690 -7.324 11.622 1.00 0.00 C ATOM 709 O ARG A 49 1.777 -6.786 10.998 1.00 0.00 O ATOM 710 CB ARG A 49 3.381 -5.221 12.786 1.00 0.00 C ATOM 711 CG ARG A 49 3.364 -4.473 14.109 1.00 0.00 C ATOM 712 CD ARG A 49 4.700 -4.581 14.827 1.00 0.00 C ATOM 713 NE ARG A 49 4.785 -3.670 15.965 1.00 0.00 N ATOM 714 CZ ARG A 49 5.130 -2.391 15.859 1.00 0.00 C ATOM 715 NH1 ARG A 49 5.420 -1.876 14.673 1.00 0.00 N ATOM 716 NH2 ARG A 49 5.184 -1.626 16.942 1.00 0.00 N ATOM 0 H ARG A 49 5.287 -6.891 12.984 1.00 0.00 H new ATOM 0 HA ARG A 49 2.458 -6.927 13.711 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.327 -5.026 12.280 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.591 -4.828 12.146 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.129 -3.424 13.932 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.575 -4.874 14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.845 -5.605 15.171 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.506 -4.363 14.127 1.00 0.00 H new ATOM 0 HE ARG A 49 4.568 -4.035 16.892 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.379 -2.462 13.839 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.685 -0.894 14.594 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.961 -2.020 17.856 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.449 -0.644 16.860 1.00 0.00 H new ATOM 730 N ASN A 50 3.290 -8.436 11.210 1.00 0.00 N ATOM 731 CA ASN A 50 2.901 -9.101 9.972 1.00 0.00 C ATOM 732 C ASN A 50 2.630 -8.082 8.869 1.00 0.00 C ATOM 733 O ASN A 50 1.646 -8.193 8.136 1.00 0.00 O ATOM 734 CB ASN A 50 1.658 -9.964 10.201 1.00 0.00 C ATOM 735 CG ASN A 50 1.813 -10.898 11.386 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.271 -10.648 12.462 1.00 0.00 O ATOM 737 ND2 ASN A 50 2.557 -11.981 11.192 1.00 0.00 N ATOM 0 H ASN A 50 4.047 -8.895 11.715 1.00 0.00 H new ATOM 0 HA ASN A 50 3.726 -9.740 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.795 -9.318 10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.455 -10.550 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.698 -12.646 11.953 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.987 -12.148 10.282 1.00 0.00 H new ATOM 744 N CYS A 51 3.508 -7.092 8.758 1.00 0.00 N ATOM 745 CA CYS A 51 3.364 -6.053 7.744 1.00 0.00 C ATOM 746 C CYS A 51 4.579 -6.021 6.822 1.00 0.00 C ATOM 747 O CYS A 51 5.496 -6.829 6.959 1.00 0.00 O ATOM 748 CB CYS A 51 3.176 -4.688 8.407 1.00 0.00 C ATOM 749 SG CYS A 51 4.714 -3.921 8.969 1.00 0.00 S ATOM 0 H CYS A 51 4.327 -6.986 9.357 1.00 0.00 H new ATOM 0 HA CYS A 51 2.483 -6.283 7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.685 -4.018 7.701 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.506 -4.799 9.259 1.00 0.00 H new ATOM 0 HG CYS A 51 4.922 -2.825 8.301 1.00 0.00 H new ATOM 755 N ALA A 52 4.577 -5.081 5.882 1.00 0.00 N ATOM 756 CA ALA A 52 5.679 -4.943 4.938 1.00 0.00 C ATOM 757 C ALA A 52 5.741 -3.529 4.370 1.00 0.00 C ATOM 758 O ALA A 52 4.716 -2.864 4.220 1.00 0.00 O ATOM 759 CB ALA A 52 5.541 -5.960 3.814 1.00 0.00 C ATOM 0 H ALA A 52 3.825 -4.404 5.754 1.00 0.00 H new ATOM 0 HA ALA A 52 6.610 -5.133 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.371 -5.846 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.554 -6.967 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.600 -5.796 3.289 1.00 0.00 H new ATOM 765 N PHE A 53 6.950 -3.076 4.057 1.00 0.00 N ATOM 766 CA PHE A 53 7.146 -1.739 3.507 1.00 0.00 C ATOM 767 C PHE A 53 7.787 -1.809 2.124 1.00 0.00 C ATOM 768 O PHE A 53 8.991 -2.031 1.995 1.00 0.00 O ATOM 769 CB PHE A 53 8.020 -0.902 4.444 1.00 0.00 C ATOM 770 CG PHE A 53 7.635 -1.025 5.891 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.426 -0.525 6.345 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.484 -1.641 6.797 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.069 -0.637 7.676 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.132 -1.757 8.128 1.00 0.00 C ATOM 775 CZ PHE A 53 6.924 -1.253 8.569 1.00 0.00 C ATOM 0 H PHE A 53 7.809 -3.614 4.174 1.00 0.00 H new ATOM 0 HA PHE A 53 6.169 -1.265 3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.060 -1.206 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.958 0.145 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.754 -0.042 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.431 -2.035 6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.123 -0.243 8.017 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.801 -2.242 8.823 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.649 -1.340 9.610 1.00 0.00 H new ATOM 785 N VAL A 54 6.972 -1.618 1.091 1.00 0.00 N ATOM 786 CA VAL A 54 7.458 -1.658 -0.283 1.00 0.00 C ATOM 787 C VAL A 54 7.632 -0.252 -0.846 1.00 0.00 C ATOM 788 O VAL A 54 6.662 0.489 -1.008 1.00 0.00 O ATOM 789 CB VAL A 54 6.500 -2.449 -1.194 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.067 -2.554 -2.602 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.232 -3.829 -0.614 1.00 0.00 C ATOM 0 H VAL A 54 5.973 -1.434 1.180 1.00 0.00 H new ATOM 0 HA VAL A 54 8.425 -2.160 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 54 5.553 -1.913 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.377 -3.116 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.203 -1.554 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.028 -3.067 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.553 -4.374 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.171 -4.376 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.779 -3.727 0.372 1.00 0.00 H new ATOM 801 N THR A 55 8.876 0.111 -1.144 1.00 0.00 N ATOM 802 CA THR A 55 9.179 1.429 -1.688 1.00 0.00 C ATOM 803 C THR A 55 9.302 1.381 -3.207 1.00 0.00 C ATOM 804 O THR A 55 9.867 0.440 -3.764 1.00 0.00 O ATOM 805 CB THR A 55 10.483 1.995 -1.096 1.00 0.00 C ATOM 806 OG1 THR A 55 10.447 1.917 0.333 1.00 0.00 O ATOM 807 CG2 THR A 55 10.689 3.440 -1.525 1.00 0.00 C ATOM 0 H THR A 55 9.690 -0.490 -1.018 1.00 0.00 H new ATOM 0 HA THR A 55 8.351 2.083 -1.413 1.00 0.00 H new ATOM 0 HB THR A 55 11.315 1.399 -1.471 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.211 2.404 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.616 3.819 -1.095 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.746 3.492 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.853 4.046 -1.176 1.00 0.00 H new ATOM 815 N TYR A 56 8.771 2.402 -3.871 1.00 0.00 N ATOM 816 CA TYR A 56 8.820 2.475 -5.326 1.00 0.00 C ATOM 817 C TYR A 56 9.811 3.540 -5.785 1.00 0.00 C ATOM 818 O TYR A 56 9.925 4.601 -5.172 1.00 0.00 O ATOM 819 CB TYR A 56 7.431 2.779 -5.890 1.00 0.00 C ATOM 820 CG TYR A 56 6.518 1.575 -5.932 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.945 0.374 -6.486 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.228 1.637 -5.420 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.114 -0.729 -6.528 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.391 0.539 -5.456 1.00 0.00 C ATOM 825 CZ TYR A 56 4.838 -0.642 -6.011 1.00 0.00 C ATOM 826 OH TYR A 56 4.007 -1.738 -6.050 1.00 0.00 O ATOM 0 H TYR A 56 8.302 3.190 -3.425 1.00 0.00 H new ATOM 0 HA TYR A 56 9.154 1.508 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.965 3.557 -5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.537 3.179 -6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.944 0.302 -6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.873 2.560 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.462 -1.654 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.392 0.605 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 56 4.386 -2.415 -6.649 1.00 0.00 H new ATOM 836 N GLU A 57 10.526 3.248 -6.867 1.00 0.00 N ATOM 837 CA GLU A 57 11.508 4.180 -7.408 1.00 0.00 C ATOM 838 C GLU A 57 10.853 5.509 -7.773 1.00 0.00 C ATOM 839 O GLU A 57 11.526 6.532 -7.898 1.00 0.00 O ATOM 840 CB GLU A 57 12.190 3.579 -8.639 1.00 0.00 C ATOM 841 CG GLU A 57 13.452 4.316 -9.056 1.00 0.00 C ATOM 842 CD GLU A 57 14.694 3.779 -8.371 1.00 0.00 C ATOM 843 OE1 GLU A 57 15.107 2.646 -8.696 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.253 4.491 -7.512 1.00 0.00 O ATOM 0 H GLU A 57 10.444 2.374 -7.386 1.00 0.00 H new ATOM 0 HA GLU A 57 12.259 4.364 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.438 2.538 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.486 3.581 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.574 4.237 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.343 5.375 -8.824 1.00 0.00 H new ATOM 851 N LYS A 58 9.536 5.485 -7.944 1.00 0.00 N ATOM 852 CA LYS A 58 8.787 6.686 -8.295 1.00 0.00 C ATOM 853 C LYS A 58 7.616 6.895 -7.341 1.00 0.00 C ATOM 854 O LYS A 58 7.250 5.994 -6.586 1.00 0.00 O ATOM 855 CB LYS A 58 8.276 6.592 -9.734 1.00 0.00 C ATOM 856 CG LYS A 58 9.372 6.721 -10.778 1.00 0.00 C ATOM 857 CD LYS A 58 8.797 6.976 -12.161 1.00 0.00 C ATOM 858 CE LYS A 58 9.894 7.252 -13.179 1.00 0.00 C ATOM 859 NZ LYS A 58 9.337 7.541 -14.529 1.00 0.00 N ATOM 0 H LYS A 58 8.964 4.646 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 58 9.459 7.540 -8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.768 5.637 -9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.534 7.374 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.041 7.537 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.970 5.810 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.214 6.112 -12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.114 7.825 -12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.495 8.098 -12.845 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.560 6.391 -13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.116 7.724 -15.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.785 6.724 -14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.721 8.378 -14.479 1.00 0.00 H new ATOM 873 N MET A 59 7.030 8.087 -7.382 1.00 0.00 N ATOM 874 CA MET A 59 5.898 8.412 -6.522 1.00 0.00 C ATOM 875 C MET A 59 4.585 7.973 -7.164 1.00 0.00 C ATOM 876 O MET A 59 3.579 7.797 -6.478 1.00 0.00 O ATOM 877 CB MET A 59 5.862 9.915 -6.237 1.00 0.00 C ATOM 878 CG MET A 59 5.444 10.751 -7.435 1.00 0.00 C ATOM 879 SD MET A 59 6.833 11.174 -8.505 1.00 0.00 S ATOM 880 CE MET A 59 6.153 10.778 -10.114 1.00 0.00 C ATOM 0 H MET A 59 7.320 8.844 -8.001 1.00 0.00 H new ATOM 0 HA MET A 59 6.021 7.874 -5.582 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.173 10.104 -5.414 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.849 10.237 -5.906 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.699 10.204 -8.013 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.967 11.667 -7.086 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.876 11.036 -10.888 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.934 9.711 -10.164 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.235 11.345 -10.271 1.00 0.00 H new ATOM 890 N GLU A 60 4.604 7.799 -8.481 1.00 0.00 N ATOM 891 CA GLU A 60 3.415 7.381 -9.213 1.00 0.00 C ATOM 892 C GLU A 60 2.938 6.011 -8.740 1.00 0.00 C ATOM 893 O GLU A 60 1.745 5.798 -8.522 1.00 0.00 O ATOM 894 CB GLU A 60 3.700 7.343 -10.716 1.00 0.00 C ATOM 895 CG GLU A 60 4.850 6.425 -11.094 1.00 0.00 C ATOM 896 CD GLU A 60 5.217 6.523 -12.562 1.00 0.00 C ATOM 897 OE1 GLU A 60 5.657 7.609 -12.992 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.062 5.513 -13.281 1.00 0.00 O ATOM 0 H GLU A 60 5.430 7.941 -9.063 1.00 0.00 H new ATOM 0 HA GLU A 60 2.627 8.108 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.801 7.019 -11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.924 8.353 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.722 6.673 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.580 5.395 -10.859 1.00 0.00 H new ATOM 905 N SER A 61 3.878 5.085 -8.586 1.00 0.00 N ATOM 906 CA SER A 61 3.555 3.733 -8.143 1.00 0.00 C ATOM 907 C SER A 61 2.891 3.756 -6.770 1.00 0.00 C ATOM 908 O SER A 61 1.857 3.123 -6.558 1.00 0.00 O ATOM 909 CB SER A 61 4.819 2.873 -8.097 1.00 0.00 C ATOM 910 OG SER A 61 5.432 2.798 -9.373 1.00 0.00 O ATOM 0 H SER A 61 4.870 5.246 -8.761 1.00 0.00 H new ATOM 0 HA SER A 61 2.856 3.300 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.522 3.292 -7.377 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.568 1.870 -7.751 1.00 0.00 H new ATOM 0 HG SER A 61 6.239 2.244 -9.316 1.00 0.00 H new ATOM 916 N ALA A 62 3.494 4.489 -5.840 1.00 0.00 N ATOM 917 CA ALA A 62 2.961 4.597 -4.487 1.00 0.00 C ATOM 918 C ALA A 62 1.441 4.716 -4.504 1.00 0.00 C ATOM 919 O ALA A 62 0.737 3.870 -3.951 1.00 0.00 O ATOM 920 CB ALA A 62 3.578 5.788 -3.770 1.00 0.00 C ATOM 0 H ALA A 62 4.352 5.017 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 62 3.222 3.687 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.171 5.856 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.659 5.661 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.347 6.702 -4.317 1.00 0.00 H new ATOM 926 N ASP A 63 0.942 5.770 -5.140 1.00 0.00 N ATOM 927 CA ASP A 63 -0.496 5.999 -5.228 1.00 0.00 C ATOM 928 C ASP A 63 -1.178 4.877 -6.005 1.00 0.00 C ATOM 929 O ASP A 63 -2.258 4.421 -5.633 1.00 0.00 O ATOM 930 CB ASP A 63 -0.779 7.345 -5.897 1.00 0.00 C ATOM 931 CG ASP A 63 -0.050 8.491 -5.222 1.00 0.00 C ATOM 932 OD1 ASP A 63 -0.617 9.080 -4.279 1.00 0.00 O ATOM 933 OD2 ASP A 63 1.086 8.799 -5.639 1.00 0.00 O ATOM 0 H ASP A 63 1.511 6.479 -5.602 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.900 6.013 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.482 7.296 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.851 7.539 -5.878 1.00 0.00 H new ATOM 938 N GLN A 64 -0.540 4.440 -7.086 1.00 0.00 N ATOM 939 CA GLN A 64 -1.087 3.374 -7.916 1.00 0.00 C ATOM 940 C GLN A 64 -1.372 2.128 -7.084 1.00 0.00 C ATOM 941 O GLN A 64 -2.526 1.744 -6.898 1.00 0.00 O ATOM 942 CB GLN A 64 -0.119 3.033 -9.050 1.00 0.00 C ATOM 943 CG GLN A 64 -0.203 3.989 -10.229 1.00 0.00 C ATOM 944 CD GLN A 64 0.176 3.332 -11.541 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.267 3.554 -12.068 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.724 2.517 -12.077 1.00 0.00 N ATOM 0 H GLN A 64 0.356 4.808 -7.407 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.026 3.727 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.899 3.037 -8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.323 2.021 -9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.218 4.380 -10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.455 4.840 -10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.616 2.362 -11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.524 2.046 -12.959 1.00 0.00 H new ATOM 955 N ALA A 65 -0.311 1.500 -6.586 1.00 0.00 N ATOM 956 CA ALA A 65 -0.448 0.298 -5.772 1.00 0.00 C ATOM 957 C ALA A 65 -1.515 0.480 -4.698 1.00 0.00 C ATOM 958 O ALA A 65 -2.502 -0.255 -4.659 1.00 0.00 O ATOM 959 CB ALA A 65 0.887 -0.063 -5.136 1.00 0.00 C ATOM 0 H ALA A 65 0.652 1.804 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.761 -0.518 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.770 -0.962 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.625 -0.244 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.223 0.759 -4.504 1.00 0.00 H new ATOM 965 N VAL A 66 -1.311 1.464 -3.828 1.00 0.00 N ATOM 966 CA VAL A 66 -2.257 1.743 -2.754 1.00 0.00 C ATOM 967 C VAL A 66 -3.686 1.800 -3.281 1.00 0.00 C ATOM 968 O VAL A 66 -4.644 1.629 -2.527 1.00 0.00 O ATOM 969 CB VAL A 66 -1.928 3.072 -2.047 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.128 3.566 -1.254 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.713 2.909 -1.147 1.00 0.00 C ATOM 0 H VAL A 66 -0.499 2.081 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.170 0.927 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.692 3.819 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.877 4.505 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.970 3.723 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.398 2.824 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.495 3.857 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.918 2.148 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.145 2.605 -1.746 1.00 0.00 H new ATOM 981 N ALA A 67 -3.822 2.043 -4.581 1.00 0.00 N ATOM 982 CA ALA A 67 -5.135 2.121 -5.210 1.00 0.00 C ATOM 983 C ALA A 67 -5.598 0.747 -5.685 1.00 0.00 C ATOM 984 O ALA A 67 -6.782 0.422 -5.609 1.00 0.00 O ATOM 985 CB ALA A 67 -5.106 3.101 -6.372 1.00 0.00 C ATOM 0 H ALA A 67 -3.039 2.189 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.847 2.478 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.093 3.149 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.827 4.090 -6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.377 2.768 -7.111 1.00 0.00 H new ATOM 991 N GLU A 68 -4.656 -0.053 -6.175 1.00 0.00 N ATOM 992 CA GLU A 68 -4.970 -1.390 -6.664 1.00 0.00 C ATOM 993 C GLU A 68 -4.680 -2.442 -5.596 1.00 0.00 C ATOM 994 O GLU A 68 -5.569 -3.191 -5.189 1.00 0.00 O ATOM 995 CB GLU A 68 -4.166 -1.697 -7.929 1.00 0.00 C ATOM 996 CG GLU A 68 -4.494 -0.781 -9.096 1.00 0.00 C ATOM 997 CD GLU A 68 -5.849 -1.078 -9.707 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.931 -1.989 -10.557 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.829 -0.399 -9.334 1.00 0.00 O ATOM 0 H GLU A 68 -3.671 0.201 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.033 -1.421 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.103 -1.616 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.351 -2.729 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.471 0.255 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.724 -0.883 -9.861 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.431 -2.491 -5.147 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.022 -3.451 -4.127 1.00 0.00 C ATOM 1008 C LEU A 69 -3.902 -3.334 -2.887 1.00 0.00 C ATOM 1009 O LEU A 69 -3.936 -4.237 -2.052 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.556 -3.230 -3.750 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.521 -3.752 -4.746 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.846 -3.859 -4.089 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -0.952 -5.100 -5.307 1.00 0.00 C ATOM 0 H LEU A 69 -2.684 -1.878 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.137 -4.454 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.394 -2.161 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.374 -3.704 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.450 -3.043 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.570 -4.232 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.159 -2.876 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.791 -4.546 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.203 -5.456 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.052 -5.818 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.910 -4.993 -5.816 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.612 -2.217 -2.774 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.494 -1.983 -1.636 1.00 0.00 C ATOM 1027 C ASN A 70 -6.656 -2.972 -1.636 1.00 0.00 C ATOM 1028 O ASN A 70 -7.461 -2.999 -2.565 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.029 -0.550 -1.665 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.405 -0.434 -1.039 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.676 -1.024 0.007 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -8.283 0.330 -1.679 1.00 0.00 N ATOM 0 H ASN A 70 -4.594 -1.459 -3.456 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.916 -2.129 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.336 0.104 -1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.072 -0.202 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.225 0.446 -1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.015 0.801 -2.543 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.736 -3.782 -0.585 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.803 -4.761 -0.483 1.00 0.00 C ATOM 1041 C GLY A 71 -7.777 -5.767 -1.616 1.00 0.00 C ATOM 1042 O GLY A 71 -8.770 -6.448 -1.876 1.00 0.00 O ATOM 0 H GLY A 71 -6.082 -3.778 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.719 -5.287 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.764 -4.247 -0.480 1.00 0.00 H new ATOM 1046 N THR A 72 -6.638 -5.862 -2.295 1.00 0.00 N ATOM 1047 CA THR A 72 -6.488 -6.790 -3.409 1.00 0.00 C ATOM 1048 C THR A 72 -6.157 -8.194 -2.914 1.00 0.00 C ATOM 1049 O THR A 72 -5.587 -8.363 -1.837 1.00 0.00 O ATOM 1050 CB THR A 72 -5.385 -6.328 -4.380 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.638 -6.847 -5.691 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.016 -6.787 -3.903 1.00 0.00 C ATOM 0 H THR A 72 -5.806 -5.308 -2.093 1.00 0.00 H new ATOM 0 HA THR A 72 -7.442 -6.808 -3.936 1.00 0.00 H new ATOM 0 HB THR A 72 -5.394 -5.239 -4.413 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.934 -6.548 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.254 -6.449 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.814 -6.367 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.997 -7.875 -3.844 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.519 -9.196 -3.709 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.260 -10.586 -3.350 1.00 0.00 C ATOM 1062 C GLN A 73 -5.275 -11.225 -4.324 1.00 0.00 C ATOM 1063 O GLN A 73 -5.665 -11.715 -5.384 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.566 -11.381 -3.331 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.435 -12.751 -2.684 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.777 -13.413 -2.442 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.825 -12.776 -2.551 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.752 -14.699 -2.112 1.00 0.00 N ATOM 0 H GLN A 73 -6.992 -9.072 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.819 -10.602 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.323 -10.807 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.922 -11.504 -4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.827 -13.393 -3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.907 -12.652 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.860 -15.188 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.624 -15.198 -1.938 1.00 0.00 H new ATOM 1077 N VAL A 74 -3.998 -11.216 -3.957 1.00 0.00 N ATOM 1078 CA VAL A 74 -2.957 -11.796 -4.798 1.00 0.00 C ATOM 1079 C VAL A 74 -2.401 -13.074 -4.181 1.00 0.00 C ATOM 1080 O VAL A 74 -2.219 -13.161 -2.967 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.801 -10.803 -5.024 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.341 -9.421 -5.359 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.898 -10.750 -3.801 1.00 0.00 C ATOM 0 H VAL A 74 -3.659 -10.814 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.418 -12.030 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.208 -11.149 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.510 -8.734 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.942 -9.475 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.959 -9.062 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.087 -10.044 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.477 -10.428 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.482 -11.740 -3.612 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.133 -14.065 -5.027 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.598 -15.340 -4.564 1.00 0.00 C ATOM 1095 C GLU A 75 -2.499 -15.952 -3.495 1.00 0.00 C ATOM 1096 O GLU A 75 -2.035 -16.684 -2.622 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.184 -15.153 -4.008 1.00 0.00 C ATOM 1098 CG GLU A 75 0.808 -14.630 -5.033 1.00 0.00 C ATOM 1099 CD GLU A 75 1.114 -15.643 -6.119 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.321 -15.744 -7.078 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.148 -16.335 -6.009 1.00 0.00 O ATOM 0 H GLU A 75 -2.278 -14.009 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.560 -16.020 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.222 -14.462 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.175 -16.107 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.410 -13.724 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.734 -14.353 -4.529 1.00 0.00 H new ATOM 1108 N SER A 76 -3.791 -15.647 -3.572 1.00 0.00 N ATOM 1109 CA SER A 76 -4.757 -16.163 -2.610 1.00 0.00 C ATOM 1110 C SER A 76 -4.537 -15.544 -1.234 1.00 0.00 C ATOM 1111 O SER A 76 -4.825 -16.162 -0.209 1.00 0.00 O ATOM 1112 CB SER A 76 -4.653 -17.687 -2.519 1.00 0.00 C ATOM 1113 OG SER A 76 -3.724 -18.076 -1.522 1.00 0.00 O ATOM 0 H SER A 76 -4.192 -15.045 -4.291 1.00 0.00 H new ATOM 0 HA SER A 76 -5.755 -15.894 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.632 -18.109 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.347 -18.092 -3.484 1.00 0.00 H new ATOM 0 HG SER A 76 -2.831 -17.752 -1.763 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.024 -14.317 -1.219 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.766 -13.612 0.031 1.00 0.00 C ATOM 1121 C VAL A 77 -4.177 -12.148 -0.069 1.00 0.00 C ATOM 1122 O VAL A 77 -3.648 -11.400 -0.891 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.278 -13.690 0.423 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.968 -12.709 1.542 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.908 -15.109 0.829 1.00 0.00 C ATOM 0 H VAL A 77 -3.779 -13.791 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.363 -14.103 0.800 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.677 -13.416 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.913 -12.779 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.193 -11.695 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.576 -12.948 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.854 -15.146 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.515 -15.414 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.090 -15.786 -0.006 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.123 -11.745 0.773 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.606 -10.370 0.779 1.00 0.00 C ATOM 1137 C GLN A 78 -4.572 -9.433 1.396 1.00 0.00 C ATOM 1138 O GLN A 78 -4.289 -9.506 2.593 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.924 -10.272 1.549 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.152 -10.515 0.687 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.301 -11.123 1.466 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.490 -12.340 1.468 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.077 -10.277 2.134 1.00 0.00 N ATOM 0 H GLN A 78 -5.570 -12.352 1.460 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.775 -10.067 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.914 -10.996 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.998 -9.283 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.475 -9.571 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.887 -11.176 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.884 -9.276 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.866 -10.628 2.676 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.012 -8.554 0.573 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.008 -7.602 1.037 1.00 0.00 C ATOM 1154 C LEU A 79 -3.617 -6.215 1.219 1.00 0.00 C ATOM 1155 O LEU A 79 -4.440 -5.776 0.416 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.844 -7.535 0.048 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.964 -8.782 -0.038 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.219 -8.539 -0.963 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.484 -9.194 1.346 1.00 0.00 C ATOM 0 H LEU A 79 -4.236 -8.480 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.636 -7.945 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.247 -7.330 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.213 -6.688 0.317 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.561 -9.595 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.834 -9.438 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.144 -8.293 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.816 -7.711 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.141 -10.083 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.095 -8.383 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.344 -9.412 1.980 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.204 -5.528 2.279 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.705 -4.189 2.566 1.00 0.00 C ATOM 1173 C LYS A 80 -2.573 -3.168 2.539 1.00 0.00 C ATOM 1174 O LYS A 80 -1.753 -3.110 3.455 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.397 -4.163 3.930 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.565 -5.128 4.039 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.036 -5.274 5.476 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.501 -5.679 5.544 1.00 0.00 C ATOM 1179 NZ LYS A 80 -8.154 -5.191 6.790 1.00 0.00 N ATOM 0 H LYS A 80 -2.523 -5.877 2.954 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.428 -3.925 1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.666 -4.401 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.752 -3.152 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.389 -4.775 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.270 -6.103 3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.427 -6.021 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.893 -4.331 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.029 -5.280 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.580 -6.765 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.151 -5.487 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.667 -5.591 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.101 -4.153 6.826 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.534 -2.362 1.482 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.503 -1.341 1.336 1.00 0.00 C ATOM 1195 C VAL A 81 -2.061 0.048 1.626 1.00 0.00 C ATOM 1196 O VAL A 81 -3.221 0.336 1.333 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.896 -1.353 -0.079 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.332 -0.458 -0.141 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.553 -2.774 -0.499 1.00 0.00 C ATOM 0 H VAL A 81 -3.205 -2.397 0.714 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.722 -1.575 2.059 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.636 -0.961 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.747 -0.479 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.051 0.564 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.079 -0.816 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.125 -2.764 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.170 -3.196 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.457 -3.382 -0.497 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.227 0.906 2.205 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.638 2.266 2.535 1.00 0.00 C ATOM 1211 C ASN A 82 -0.466 3.234 2.406 1.00 0.00 C ATOM 1212 O ASN A 82 0.695 2.836 2.507 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.204 2.319 3.955 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.233 3.420 4.126 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -2.916 4.604 4.017 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.474 3.032 4.396 1.00 0.00 N ATOM 0 H ASN A 82 -0.263 0.684 2.455 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.414 2.566 1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.659 1.359 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.389 2.474 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.210 3.727 4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.691 2.039 4.477 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.778 4.506 2.182 1.00 0.00 N ATOM 1224 CA ILE A 83 0.249 5.531 2.040 1.00 0.00 C ATOM 1225 C ILE A 83 0.888 5.858 3.386 1.00 0.00 C ATOM 1226 O ILE A 83 0.376 6.682 4.144 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.326 6.823 1.430 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.204 6.495 0.221 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.800 7.767 1.033 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.431 5.942 -0.956 1.00 0.00 C ATOM 0 H ILE A 83 -1.734 4.852 2.095 1.00 0.00 H new ATOM 0 HA ILE A 83 1.007 5.128 1.368 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.943 7.319 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.963 5.771 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.729 7.397 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.378 8.676 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.389 8.022 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.440 7.281 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.118 5.733 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.310 6.673 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.073 5.022 -0.660 1.00 0.00 H new ATOM 1242 N ALA A 84 2.010 5.208 3.675 1.00 0.00 N ATOM 1243 CA ALA A 84 2.722 5.433 4.928 1.00 0.00 C ATOM 1244 C ALA A 84 2.977 6.919 5.155 1.00 0.00 C ATOM 1245 O ALA A 84 2.983 7.709 4.211 1.00 0.00 O ATOM 1246 CB ALA A 84 4.034 4.662 4.935 1.00 0.00 C ATOM 0 H ALA A 84 2.446 4.522 3.059 1.00 0.00 H new ATOM 0 HA ALA A 84 2.096 5.070 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.555 4.839 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.830 3.597 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.658 4.997 4.106 1.00 0.00 H new