USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 88 GLN : amide:sc= -0.968! C(o=-6.1!,f=-7.5!) USER MOD Set 1.2: A 89 GLN : amide:sc= -5.12! C(o=-6.1!,f=-5.8!) USER MOD Set 2.1: A 78 THR OG1 : rot 80:sc= -0.128 USER MOD Set 2.2: A 80 GLN : amide:sc= -1.88! C(o=-1.6!,f=-1.9!) USER MOD Set 2.3: A 81 GLN : amide:sc= 0.391 X(o=-1.6,f=-1.4) USER MOD Set 3.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -3.05 K(o=-3.1,f=-4.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -4.38! (180deg=-8.88!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.06 (180deg=0.784) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -102:sc= -2.17 USER MOD Single : A 56 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-2.9!) USER MOD Single : A 57 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.2) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 70 ASN : amide:sc= -4.47! C(o=-4.5!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 78:sc= -1.04 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -3.59! C(o=-3.6!,f=-7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.549 K(o=-0.55,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -2.273 -9.258 -0.952 1.00 0.00 N ATOM 230 CA VAL A 17 -1.715 -8.013 -0.451 1.00 0.00 C ATOM 231 C VAL A 17 -2.713 -7.360 0.506 1.00 0.00 C ATOM 232 O VAL A 17 -3.915 -7.606 0.418 1.00 0.00 O ATOM 233 CB VAL A 17 -1.326 -7.106 -1.620 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.472 -6.161 -1.986 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.049 -6.324 -1.306 1.00 0.00 C ATOM 0 HA VAL A 17 -0.802 -8.204 0.113 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.126 -7.740 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.169 -5.527 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.347 -6.744 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.718 -5.537 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.205 -5.687 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.209 -5.706 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.768 -7.021 -1.118 1.00 0.00 H new ATOM 245 N GLU A 18 -2.178 -6.540 1.399 1.00 0.00 N ATOM 246 CA GLU A 18 -3.008 -5.849 2.372 1.00 0.00 C ATOM 247 C GLU A 18 -4.184 -5.162 1.674 1.00 0.00 C ATOM 248 O GLU A 18 -4.003 -4.153 0.994 1.00 0.00 O ATOM 249 CB GLU A 18 -2.184 -4.842 3.178 1.00 0.00 C ATOM 250 CG GLU A 18 -0.883 -5.473 3.677 1.00 0.00 C ATOM 251 CD GLU A 18 -0.705 -5.245 5.180 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.697 -5.459 5.908 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.421 -4.861 5.565 1.00 0.00 O ATOM 0 H GLU A 18 -1.181 -6.339 1.469 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.406 -6.585 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.957 -3.974 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.768 -4.485 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.889 -6.542 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.037 -5.046 3.138 1.00 0.00 H new ATOM 260 N GLU A 19 -5.362 -5.736 1.867 1.00 0.00 N ATOM 261 CA GLU A 19 -6.567 -5.192 1.265 1.00 0.00 C ATOM 262 C GLU A 19 -6.540 -3.663 1.312 1.00 0.00 C ATOM 263 O GLU A 19 -5.901 -3.076 2.184 1.00 0.00 O ATOM 264 CB GLU A 19 -7.819 -5.739 1.953 1.00 0.00 C ATOM 265 CG GLU A 19 -7.909 -5.247 3.399 1.00 0.00 C ATOM 266 CD GLU A 19 -7.287 -6.261 4.363 1.00 0.00 C ATOM 267 OE1 GLU A 19 -6.092 -6.570 4.167 1.00 0.00 O ATOM 268 OE2 GLU A 19 -8.021 -6.704 5.272 1.00 0.00 O ATOM 0 H GLU A 19 -5.508 -6.573 2.432 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.600 -5.504 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.707 -5.427 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.801 -6.829 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.398 -4.289 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.952 -5.079 3.666 1.00 0.00 H new ATOM 275 N PRO A 20 -7.259 -3.045 0.337 1.00 0.00 N ATOM 276 CA PRO A 20 -7.324 -1.595 0.259 1.00 0.00 C ATOM 277 C PRO A 20 -8.241 -1.028 1.344 1.00 0.00 C ATOM 278 O PRO A 20 -9.241 -1.647 1.702 1.00 0.00 O ATOM 279 CB PRO A 20 -7.814 -1.299 -1.149 1.00 0.00 C ATOM 280 CG PRO A 20 -8.448 -2.587 -1.650 1.00 0.00 C ATOM 281 CD PRO A 20 -8.028 -3.707 -0.713 1.00 0.00 C ATOM 0 HA PRO A 20 -6.360 -1.120 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.537 -0.483 -1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.990 -0.993 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.534 -2.495 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.125 -2.800 -2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.895 -4.225 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.427 -4.453 -1.233 1.00 0.00 H new ATOM 289 N ARG A 21 -7.867 0.144 1.836 1.00 0.00 N ATOM 290 CA ARG A 21 -8.644 0.802 2.873 1.00 0.00 C ATOM 291 C ARG A 21 -9.019 2.220 2.436 1.00 0.00 C ATOM 292 O ARG A 21 -8.540 2.705 1.412 1.00 0.00 O ATOM 293 CB ARG A 21 -7.862 0.871 4.186 1.00 0.00 C ATOM 294 CG ARG A 21 -6.759 1.929 4.114 1.00 0.00 C ATOM 295 CD ARG A 21 -5.732 1.728 5.230 1.00 0.00 C ATOM 296 NE ARG A 21 -6.073 2.580 6.391 1.00 0.00 N ATOM 297 CZ ARG A 21 -5.314 2.693 7.489 1.00 0.00 C ATOM 298 NH1 ARG A 21 -4.166 2.007 7.583 1.00 0.00 N ATOM 299 NH2 ARG A 21 -5.702 3.490 8.493 1.00 0.00 N ATOM 0 H ARG A 21 -7.037 0.655 1.536 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.549 0.216 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.541 1.104 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.423 -0.103 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.263 1.877 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.198 2.923 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.710 0.681 5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.735 1.976 4.867 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.941 3.115 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.871 1.399 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.588 2.093 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.576 4.011 8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.124 3.576 9.329 1.00 0.00 H new ATOM 313 N HIS A 22 -9.872 2.845 3.234 1.00 0.00 N ATOM 314 CA HIS A 22 -10.317 4.197 2.943 1.00 0.00 C ATOM 315 C HIS A 22 -9.945 5.121 4.104 1.00 0.00 C ATOM 316 O HIS A 22 -10.610 5.123 5.138 1.00 0.00 O ATOM 317 CB HIS A 22 -11.813 4.220 2.623 1.00 0.00 C ATOM 318 CG HIS A 22 -12.223 3.255 1.536 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.823 1.930 1.519 1.00 0.00 N ATOM 320 CD2 HIS A 22 -13.001 3.437 0.430 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.342 1.350 0.447 1.00 0.00 C ATOM 322 NE2 HIS A 22 -13.072 2.286 -0.227 1.00 0.00 N ATOM 0 H HIS A 22 -10.267 2.440 4.083 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.809 4.567 2.053 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.372 3.989 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.095 5.230 2.324 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.478 4.361 0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.211 0.318 0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.587 2.127 -1.093 1.00 0.00 H new ATOM 330 N VAL A 23 -8.882 5.884 3.894 1.00 0.00 N ATOM 331 CA VAL A 23 -8.414 6.811 4.910 1.00 0.00 C ATOM 332 C VAL A 23 -9.104 8.163 4.719 1.00 0.00 C ATOM 333 O VAL A 23 -8.984 8.781 3.662 1.00 0.00 O ATOM 334 CB VAL A 23 -6.887 6.907 4.867 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.381 8.012 5.797 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.243 5.563 5.211 1.00 0.00 C ATOM 0 H VAL A 23 -8.332 5.879 3.035 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.676 6.451 5.905 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.596 7.166 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.293 8.059 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.800 8.969 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.689 7.796 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.158 5.659 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.546 5.260 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.566 4.810 4.492 1.00 0.00 H new ATOM 346 N LYS A 24 -9.811 8.582 5.758 1.00 0.00 N ATOM 347 CA LYS A 24 -10.520 9.850 5.717 1.00 0.00 C ATOM 348 C LYS A 24 -9.550 10.983 6.056 1.00 0.00 C ATOM 349 O LYS A 24 -8.586 10.781 6.794 1.00 0.00 O ATOM 350 CB LYS A 24 -11.753 9.803 6.623 1.00 0.00 C ATOM 351 CG LYS A 24 -13.013 9.482 5.817 1.00 0.00 C ATOM 352 CD LYS A 24 -14.252 9.484 6.715 1.00 0.00 C ATOM 353 CE LYS A 24 -15.534 9.490 5.879 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.725 9.502 6.758 1.00 0.00 N ATOM 0 H LYS A 24 -9.908 8.067 6.633 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.898 10.044 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.611 9.050 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.874 10.761 7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.136 10.215 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.906 8.508 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.239 8.606 7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.233 10.359 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.546 10.364 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.559 8.611 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.586 9.506 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.719 8.655 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.707 10.353 7.355 1.00 0.00 H new ATOM 368 N VAL A 25 -9.839 12.152 5.502 1.00 0.00 N ATOM 369 CA VAL A 25 -9.004 13.318 5.737 1.00 0.00 C ATOM 370 C VAL A 25 -9.889 14.504 6.122 1.00 0.00 C ATOM 371 O VAL A 25 -10.911 14.754 5.485 1.00 0.00 O ATOM 372 CB VAL A 25 -8.134 13.594 4.509 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.118 14.702 4.795 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.436 12.319 4.033 1.00 0.00 C ATOM 0 H VAL A 25 -10.639 12.316 4.891 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.322 13.139 6.568 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.787 13.937 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.512 14.879 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.644 15.618 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.473 14.400 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.824 12.544 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.801 11.932 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.184 11.571 3.770 1.00 0.00 H new ATOM 384 N GLN A 26 -9.465 15.205 7.164 1.00 0.00 N ATOM 385 CA GLN A 26 -10.206 16.360 7.641 1.00 0.00 C ATOM 386 C GLN A 26 -9.466 17.650 7.285 1.00 0.00 C ATOM 387 O GLN A 26 -8.968 18.348 8.167 1.00 0.00 O ATOM 388 CB GLN A 26 -10.453 16.267 9.148 1.00 0.00 C ATOM 389 CG GLN A 26 -11.937 16.045 9.448 1.00 0.00 C ATOM 390 CD GLN A 26 -12.367 16.821 10.695 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.751 17.795 11.095 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.456 16.336 11.285 1.00 0.00 N ATOM 0 H GLN A 26 -8.617 14.995 7.691 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.177 16.374 7.146 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.867 15.448 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.113 17.182 9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.536 16.362 8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.127 14.982 9.594 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.924 15.517 10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.823 16.784 12.125 1.00 0.00 H new ATOM 401 N LYS A 27 -9.418 17.929 5.991 1.00 0.00 N ATOM 402 CA LYS A 27 -8.747 19.124 5.507 1.00 0.00 C ATOM 403 C LYS A 27 -9.342 20.352 6.197 1.00 0.00 C ATOM 404 O LYS A 27 -8.765 20.874 7.149 1.00 0.00 O ATOM 405 CB LYS A 27 -8.803 19.188 3.979 1.00 0.00 C ATOM 406 CG LYS A 27 -7.420 19.472 3.391 1.00 0.00 C ATOM 407 CD LYS A 27 -6.761 18.184 2.894 1.00 0.00 C ATOM 408 CE LYS A 27 -6.550 18.225 1.379 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.907 16.924 0.770 1.00 0.00 N ATOM 0 H LYS A 27 -9.833 17.348 5.262 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.688 19.097 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.183 18.245 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.500 19.966 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.509 20.180 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.789 19.940 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.803 18.045 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.384 17.328 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.159 19.017 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.510 18.464 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.060 16.494 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.287 16.291 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.625 17.071 0.032 1.00 0.00 H new ATOM 423 N GLY A 28 -10.489 20.779 5.689 1.00 0.00 N ATOM 424 CA GLY A 28 -11.169 21.937 6.245 1.00 0.00 C ATOM 425 C GLY A 28 -10.732 23.221 5.538 1.00 0.00 C ATOM 426 O GLY A 28 -11.534 23.869 4.867 1.00 0.00 O ATOM 0 H GLY A 28 -10.965 20.344 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.247 21.812 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.953 22.013 7.311 1.00 0.00 H new ATOM 430 N SER A 29 -9.461 23.551 5.712 1.00 0.00 N ATOM 431 CA SER A 29 -8.907 24.746 5.099 1.00 0.00 C ATOM 432 C SER A 29 -7.381 24.735 5.215 1.00 0.00 C ATOM 433 O SER A 29 -6.761 25.783 5.389 1.00 0.00 O ATOM 434 CB SER A 29 -9.479 26.011 5.743 1.00 0.00 C ATOM 435 OG SER A 29 -9.319 26.008 7.159 1.00 0.00 O ATOM 0 H SER A 29 -8.799 23.011 6.269 1.00 0.00 H new ATOM 0 HA SER A 29 -9.185 24.750 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.984 26.887 5.324 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.538 26.096 5.498 1.00 0.00 H new ATOM 0 HG SER A 29 -9.695 26.832 7.532 1.00 0.00 H new ATOM 441 N GLU A 30 -6.821 23.539 5.113 1.00 0.00 N ATOM 442 CA GLU A 30 -5.380 23.378 5.204 1.00 0.00 C ATOM 443 C GLU A 30 -4.875 22.470 4.081 1.00 0.00 C ATOM 444 O GLU A 30 -5.642 21.694 3.513 1.00 0.00 O ATOM 445 CB GLU A 30 -4.975 22.831 6.575 1.00 0.00 C ATOM 446 CG GLU A 30 -4.831 23.962 7.596 1.00 0.00 C ATOM 447 CD GLU A 30 -5.768 23.748 8.786 1.00 0.00 C ATOM 448 OE1 GLU A 30 -6.974 23.543 8.529 1.00 0.00 O ATOM 449 OE2 GLU A 30 -5.257 23.795 9.926 1.00 0.00 O ATOM 0 H GLU A 30 -7.339 22.672 4.968 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.917 24.358 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.722 22.117 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.032 22.290 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.800 24.013 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.054 24.917 7.120 1.00 0.00 H new ATOM 456 N PRO A 31 -3.554 22.601 3.786 1.00 0.00 N ATOM 457 CA PRO A 31 -2.937 21.802 2.741 1.00 0.00 C ATOM 458 C PRO A 31 -2.726 20.359 3.206 1.00 0.00 C ATOM 459 O PRO A 31 -2.760 20.078 4.403 1.00 0.00 O ATOM 460 CB PRO A 31 -1.637 22.517 2.414 1.00 0.00 C ATOM 461 CG PRO A 31 -1.349 23.422 3.600 1.00 0.00 C ATOM 462 CD PRO A 31 -2.615 23.510 4.437 1.00 0.00 C ATOM 0 HA PRO A 31 -3.563 21.716 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.827 21.804 2.261 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.730 23.096 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.526 23.024 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.047 24.412 3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.429 23.214 5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.003 24.528 4.463 1.00 0.00 H new ATOM 470 N LEU A 32 -2.513 19.484 2.235 1.00 0.00 N ATOM 471 CA LEU A 32 -2.296 18.077 2.530 1.00 0.00 C ATOM 472 C LEU A 32 -0.914 17.900 3.161 1.00 0.00 C ATOM 473 O LEU A 32 -0.799 17.431 4.292 1.00 0.00 O ATOM 474 CB LEU A 32 -2.513 17.227 1.276 1.00 0.00 C ATOM 475 CG LEU A 32 -2.958 15.783 1.514 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.339 15.735 2.171 1.00 0.00 C ATOM 477 CD2 LEU A 32 -2.912 14.974 0.216 1.00 0.00 C ATOM 0 H LEU A 32 -2.486 19.721 1.243 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.027 17.723 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.260 17.719 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.584 17.211 0.707 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.256 15.320 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.631 14.697 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.304 16.252 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.067 16.222 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.233 13.951 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.577 15.428 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.893 14.966 -0.172 1.00 0.00 H new ATOM 489 N GLY A 33 0.102 18.285 2.402 1.00 0.00 N ATOM 490 CA GLY A 33 1.472 18.175 2.873 1.00 0.00 C ATOM 491 C GLY A 33 1.995 16.746 2.708 1.00 0.00 C ATOM 492 O GLY A 33 2.379 16.105 3.685 1.00 0.00 O ATOM 0 H GLY A 33 0.003 18.674 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.108 18.865 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.524 18.467 3.922 1.00 0.00 H new ATOM 496 N ILE A 34 1.993 16.290 1.464 1.00 0.00 N ATOM 497 CA ILE A 34 2.463 14.949 1.159 1.00 0.00 C ATOM 498 C ILE A 34 3.153 14.954 -0.207 1.00 0.00 C ATOM 499 O ILE A 34 2.715 15.645 -1.125 1.00 0.00 O ATOM 500 CB ILE A 34 1.316 13.942 1.265 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.083 14.433 0.502 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.996 13.627 2.728 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.240 13.506 -0.671 1.00 0.00 C ATOM 0 H ILE A 34 1.674 16.825 0.656 1.00 0.00 H new ATOM 0 HA ILE A 34 3.205 14.630 1.891 1.00 0.00 H new ATOM 0 HB ILE A 34 1.635 13.011 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.771 14.482 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.257 15.444 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.177 12.909 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.877 13.204 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.705 14.543 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.120 13.877 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.607 13.478 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.438 12.501 -0.297 1.00 0.00 H new ATOM 515 N SER A 35 4.220 14.174 -0.298 1.00 0.00 N ATOM 516 CA SER A 35 4.975 14.080 -1.536 1.00 0.00 C ATOM 517 C SER A 35 4.576 12.814 -2.297 1.00 0.00 C ATOM 518 O SER A 35 4.298 11.781 -1.689 1.00 0.00 O ATOM 519 CB SER A 35 6.480 14.084 -1.265 1.00 0.00 C ATOM 520 OG SER A 35 7.225 14.532 -2.394 1.00 0.00 O ATOM 0 H SER A 35 4.580 13.601 0.465 1.00 0.00 H new ATOM 0 HA SER A 35 4.741 14.952 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.693 14.728 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.802 13.079 -0.994 1.00 0.00 H new ATOM 0 HG SER A 35 8.181 14.521 -2.180 1.00 0.00 H new ATOM 526 N ILE A 36 4.559 12.935 -3.616 1.00 0.00 N ATOM 527 CA ILE A 36 4.199 11.813 -4.466 1.00 0.00 C ATOM 528 C ILE A 36 5.198 11.712 -5.621 1.00 0.00 C ATOM 529 O ILE A 36 5.812 12.707 -6.004 1.00 0.00 O ATOM 530 CB ILE A 36 2.743 11.933 -4.922 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.532 13.194 -5.761 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.788 11.873 -3.728 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.718 12.899 -7.251 1.00 0.00 C ATOM 0 H ILE A 36 4.789 13.793 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 36 4.260 10.878 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 36 2.515 11.080 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.531 13.588 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.236 13.965 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.760 11.961 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.914 10.923 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.009 12.693 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.562 13.812 -7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.728 12.529 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.996 12.145 -7.566 1.00 0.00 H new ATOM 545 N VAL A 37 5.329 10.502 -6.143 1.00 0.00 N ATOM 546 CA VAL A 37 6.243 10.258 -7.246 1.00 0.00 C ATOM 547 C VAL A 37 5.607 9.263 -8.219 1.00 0.00 C ATOM 548 O VAL A 37 4.842 8.392 -7.810 1.00 0.00 O ATOM 549 CB VAL A 37 7.597 9.787 -6.709 1.00 0.00 C ATOM 550 CG1 VAL A 37 8.036 10.631 -5.511 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.556 8.301 -6.347 1.00 0.00 C ATOM 0 H VAL A 37 4.818 9.680 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 37 6.430 11.179 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 37 8.335 9.919 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.001 10.275 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.124 11.674 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.296 10.546 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.530 7.992 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.799 8.134 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.310 7.717 -7.234 1.00 0.00 H new ATOM 561 N SER A 38 5.948 9.427 -9.489 1.00 0.00 N ATOM 562 CA SER A 38 5.420 8.554 -10.524 1.00 0.00 C ATOM 563 C SER A 38 6.476 7.524 -10.929 1.00 0.00 C ATOM 564 O SER A 38 7.671 7.815 -10.911 1.00 0.00 O ATOM 565 CB SER A 38 4.967 9.358 -11.744 1.00 0.00 C ATOM 566 OG SER A 38 4.438 8.521 -12.769 1.00 0.00 O ATOM 0 H SER A 38 6.583 10.151 -9.825 1.00 0.00 H new ATOM 0 HA SER A 38 4.550 8.034 -10.122 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.211 10.082 -11.441 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.810 9.925 -12.138 1.00 0.00 H new ATOM 0 HG SER A 38 4.159 9.072 -13.530 1.00 0.00 H new ATOM 572 N GLY A 39 5.997 6.341 -11.285 1.00 0.00 N ATOM 573 CA GLY A 39 6.885 5.266 -11.694 1.00 0.00 C ATOM 574 C GLY A 39 7.105 5.283 -13.208 1.00 0.00 C ATOM 575 O GLY A 39 7.576 4.302 -13.781 1.00 0.00 O ATOM 0 H GLY A 39 5.005 6.103 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.842 5.366 -11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.462 4.307 -11.395 1.00 0.00 H new ATOM 623 N GLY A 43 1.252 4.818 -12.009 1.00 0.00 N ATOM 624 CA GLY A 43 1.099 4.619 -10.578 1.00 0.00 C ATOM 625 C GLY A 43 1.737 5.767 -9.793 1.00 0.00 C ATOM 626 O GLY A 43 2.697 6.382 -10.255 1.00 0.00 O ATOM 0 HA2 GLY A 43 0.040 4.547 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.560 3.675 -10.287 1.00 0.00 H new ATOM 630 N ILE A 44 1.176 6.022 -8.619 1.00 0.00 N ATOM 631 CA ILE A 44 1.678 7.086 -7.766 1.00 0.00 C ATOM 632 C ILE A 44 2.045 6.507 -6.399 1.00 0.00 C ATOM 633 O ILE A 44 1.296 5.709 -5.837 1.00 0.00 O ATOM 634 CB ILE A 44 0.672 8.236 -7.696 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.438 8.845 -9.081 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.110 9.287 -6.674 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.655 9.653 -9.536 1.00 0.00 C ATOM 0 H ILE A 44 0.380 5.510 -8.239 1.00 0.00 H new ATOM 0 HA ILE A 44 2.588 7.514 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.282 7.834 -7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.233 8.053 -9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.442 9.488 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.377 10.093 -6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.184 8.827 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.081 9.690 -6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.463 10.075 -10.523 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.842 10.459 -8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.527 9.001 -9.583 1.00 0.00 H new ATOM 649 N TYR A 45 3.198 6.931 -5.902 1.00 0.00 N ATOM 650 CA TYR A 45 3.674 6.464 -4.611 1.00 0.00 C ATOM 651 C TYR A 45 4.108 7.637 -3.730 1.00 0.00 C ATOM 652 O TYR A 45 4.789 8.549 -4.196 1.00 0.00 O ATOM 653 CB TYR A 45 4.891 5.583 -4.903 1.00 0.00 C ATOM 654 CG TYR A 45 4.587 4.378 -5.795 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.625 4.508 -7.168 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.274 3.160 -5.225 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.339 3.373 -8.007 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.988 2.025 -6.064 1.00 0.00 C ATOM 659 CZ TYR A 45 4.034 2.187 -7.413 1.00 0.00 C ATOM 660 OH TYR A 45 3.764 1.115 -8.205 1.00 0.00 O ATOM 0 H TYR A 45 3.817 7.593 -6.370 1.00 0.00 H new ATOM 0 HA TYR A 45 2.886 5.927 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.660 6.190 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.305 5.228 -3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.869 5.461 -7.614 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.244 3.058 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.366 3.461 -9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.742 1.066 -5.631 1.00 0.00 H new ATOM 0 HH TYR A 45 3.564 0.336 -7.645 1.00 0.00 H new ATOM 670 N VAL A 46 3.696 7.575 -2.472 1.00 0.00 N ATOM 671 CA VAL A 46 4.034 8.621 -1.522 1.00 0.00 C ATOM 672 C VAL A 46 5.548 8.636 -1.303 1.00 0.00 C ATOM 673 O VAL A 46 6.138 7.616 -0.952 1.00 0.00 O ATOM 674 CB VAL A 46 3.245 8.424 -0.225 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.810 9.295 0.898 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.756 8.705 -0.441 1.00 0.00 C ATOM 0 H VAL A 46 3.131 6.817 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 46 3.752 9.598 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 46 3.349 7.381 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.231 9.136 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.851 9.026 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.751 10.344 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.218 8.558 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.625 9.734 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.363 8.024 -1.196 1.00 0.00 H new ATOM 686 N SER A 47 6.133 9.805 -1.521 1.00 0.00 N ATOM 687 CA SER A 47 7.567 9.966 -1.353 1.00 0.00 C ATOM 688 C SER A 47 7.874 10.482 0.054 1.00 0.00 C ATOM 689 O SER A 47 8.982 10.303 0.557 1.00 0.00 O ATOM 690 CB SER A 47 8.141 10.918 -2.404 1.00 0.00 C ATOM 691 OG SER A 47 9.109 11.805 -1.849 1.00 0.00 O ATOM 0 H SER A 47 5.640 10.649 -1.812 1.00 0.00 H new ATOM 0 HA SER A 47 8.039 8.993 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.598 10.339 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.332 11.497 -2.849 1.00 0.00 H new ATOM 0 HG SER A 47 9.453 12.395 -2.552 1.00 0.00 H new ATOM 697 N LYS A 48 6.873 11.113 0.650 1.00 0.00 N ATOM 698 CA LYS A 48 7.022 11.656 1.990 1.00 0.00 C ATOM 699 C LYS A 48 5.691 12.261 2.441 1.00 0.00 C ATOM 700 O LYS A 48 4.769 12.409 1.640 1.00 0.00 O ATOM 701 CB LYS A 48 8.193 12.639 2.042 1.00 0.00 C ATOM 702 CG LYS A 48 8.826 12.664 3.435 1.00 0.00 C ATOM 703 CD LYS A 48 10.300 12.258 3.375 1.00 0.00 C ATOM 704 CE LYS A 48 10.448 10.737 3.316 1.00 0.00 C ATOM 705 NZ LYS A 48 11.035 10.323 2.021 1.00 0.00 N ATOM 0 H LYS A 48 5.955 11.260 0.230 1.00 0.00 H new ATOM 0 HA LYS A 48 7.269 10.864 2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.943 12.357 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.846 13.638 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.738 13.664 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.285 11.987 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.769 12.707 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.823 12.644 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.081 10.395 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.474 10.266 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.469 9.383 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.289 10.285 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.761 11.010 1.733 1.00 0.00 H new ATOM 719 N VAL A 49 5.633 12.595 3.722 1.00 0.00 N ATOM 720 CA VAL A 49 4.430 13.181 4.289 1.00 0.00 C ATOM 721 C VAL A 49 4.814 14.098 5.452 1.00 0.00 C ATOM 722 O VAL A 49 5.385 13.644 6.443 1.00 0.00 O ATOM 723 CB VAL A 49 3.452 12.077 4.696 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.161 10.986 5.502 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.268 12.653 5.475 1.00 0.00 C ATOM 0 H VAL A 49 6.400 12.471 4.383 1.00 0.00 H new ATOM 0 HA VAL A 49 3.917 13.794 3.547 1.00 0.00 H new ATOM 0 HB VAL A 49 3.063 11.621 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.443 10.214 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.954 10.545 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.591 11.421 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.588 11.847 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.631 13.147 6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.740 13.375 4.853 1.00 0.00 H new ATOM 735 N THR A 50 4.486 15.371 5.293 1.00 0.00 N ATOM 736 CA THR A 50 4.789 16.356 6.317 1.00 0.00 C ATOM 737 C THR A 50 4.235 15.906 7.671 1.00 0.00 C ATOM 738 O THR A 50 3.471 14.945 7.744 1.00 0.00 O ATOM 739 CB THR A 50 4.238 17.706 5.854 1.00 0.00 C ATOM 740 OG1 THR A 50 4.964 17.985 4.659 1.00 0.00 O ATOM 741 CG2 THR A 50 4.619 18.849 6.797 1.00 0.00 C ATOM 0 H THR A 50 4.013 15.744 4.470 1.00 0.00 H new ATOM 0 HA THR A 50 5.865 16.460 6.459 1.00 0.00 H new ATOM 0 HB THR A 50 3.152 17.647 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.669 18.843 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.203 19.784 6.422 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.221 18.648 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.705 18.930 6.850 1.00 0.00 H new ATOM 749 N VAL A 51 4.642 16.622 8.709 1.00 0.00 N ATOM 750 CA VAL A 51 4.196 16.308 10.055 1.00 0.00 C ATOM 751 C VAL A 51 3.254 17.409 10.545 1.00 0.00 C ATOM 752 O VAL A 51 3.441 18.581 10.222 1.00 0.00 O ATOM 753 CB VAL A 51 5.404 16.103 10.972 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.050 17.441 11.335 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.011 15.325 12.230 1.00 0.00 C ATOM 0 H VAL A 51 5.276 17.419 8.645 1.00 0.00 H new ATOM 0 HA VAL A 51 3.636 15.373 10.063 1.00 0.00 H new ATOM 0 HB VAL A 51 6.141 15.512 10.428 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.906 17.267 11.987 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.382 17.943 10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.323 18.068 11.851 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.887 15.193 12.865 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.247 15.879 12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.618 14.349 11.946 1.00 0.00 H new ATOM 765 N GLY A 52 2.260 16.993 11.317 1.00 0.00 N ATOM 766 CA GLY A 52 1.288 17.930 11.855 1.00 0.00 C ATOM 767 C GLY A 52 0.423 18.522 10.740 1.00 0.00 C ATOM 768 O GLY A 52 -0.269 19.518 10.949 1.00 0.00 O ATOM 0 H GLY A 52 2.107 16.020 11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.654 17.424 12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.804 18.731 12.384 1.00 0.00 H new ATOM 772 N SER A 53 0.491 17.885 9.581 1.00 0.00 N ATOM 773 CA SER A 53 -0.278 18.337 8.433 1.00 0.00 C ATOM 774 C SER A 53 -1.499 17.437 8.234 1.00 0.00 C ATOM 775 O SER A 53 -1.546 16.324 8.756 1.00 0.00 O ATOM 776 CB SER A 53 0.581 18.354 7.167 1.00 0.00 C ATOM 777 OG SER A 53 1.936 18.697 7.446 1.00 0.00 O ATOM 0 H SER A 53 1.066 17.060 9.411 1.00 0.00 H new ATOM 0 HA SER A 53 -0.613 19.356 8.626 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.546 17.374 6.692 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.165 19.068 6.456 1.00 0.00 H new ATOM 0 HG SER A 53 2.094 19.633 7.200 1.00 0.00 H new ATOM 783 N ILE A 54 -2.457 17.952 7.477 1.00 0.00 N ATOM 784 CA ILE A 54 -3.675 17.208 7.203 1.00 0.00 C ATOM 785 C ILE A 54 -3.331 15.731 7.002 1.00 0.00 C ATOM 786 O ILE A 54 -3.731 14.883 7.798 1.00 0.00 O ATOM 787 CB ILE A 54 -4.428 17.830 6.025 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.832 19.273 6.333 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.629 16.971 5.627 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.776 19.333 7.537 1.00 0.00 C ATOM 0 H ILE A 54 -2.414 18.875 7.045 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.356 17.264 8.053 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.756 17.860 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.942 19.869 6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.319 19.712 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.146 17.436 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.286 15.978 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.312 16.886 6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.048 20.370 7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.676 18.756 7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.277 18.916 8.412 1.00 0.00 H new ATOM 802 N ALA A 55 -2.593 15.468 5.933 1.00 0.00 N ATOM 803 CA ALA A 55 -2.191 14.108 5.617 1.00 0.00 C ATOM 804 C ALA A 55 -1.822 13.377 6.910 1.00 0.00 C ATOM 805 O ALA A 55 -2.507 12.439 7.313 1.00 0.00 O ATOM 806 CB ALA A 55 -1.036 14.137 4.614 1.00 0.00 C ATOM 0 H ALA A 55 -2.263 16.174 5.275 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.013 13.563 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.734 13.117 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.358 14.641 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.192 14.674 5.047 1.00 0.00 H new ATOM 812 N HIS A 56 -0.740 13.835 7.523 1.00 0.00 N ATOM 813 CA HIS A 56 -0.272 13.236 8.761 1.00 0.00 C ATOM 814 C HIS A 56 -1.467 12.926 9.665 1.00 0.00 C ATOM 815 O HIS A 56 -1.562 11.833 10.221 1.00 0.00 O ATOM 816 CB HIS A 56 0.768 14.131 9.439 1.00 0.00 C ATOM 817 CG HIS A 56 1.709 13.391 10.359 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.333 12.944 11.614 1.00 0.00 N ATOM 819 CD2 HIS A 56 3.012 13.024 10.193 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.372 12.338 12.170 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.411 12.389 11.288 1.00 0.00 N ATOM 0 H HIS A 56 -0.174 14.614 7.185 1.00 0.00 H new ATOM 0 HA HIS A 56 0.231 12.293 8.545 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.352 14.638 8.671 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.251 14.903 10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.616 13.217 9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.392 11.884 13.150 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.342 12.003 11.444 1.00 0.00 H new ATOM 829 N GLN A 57 -2.349 13.908 9.784 1.00 0.00 N ATOM 830 CA GLN A 57 -3.533 13.754 10.611 1.00 0.00 C ATOM 831 C GLN A 57 -4.393 12.598 10.096 1.00 0.00 C ATOM 832 O GLN A 57 -4.904 11.801 10.882 1.00 0.00 O ATOM 833 CB GLN A 57 -4.338 15.054 10.664 1.00 0.00 C ATOM 834 CG GLN A 57 -3.463 16.222 11.125 1.00 0.00 C ATOM 835 CD GLN A 57 -4.258 17.189 12.004 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.478 17.198 12.016 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.501 18.002 12.736 1.00 0.00 N ATOM 0 H GLN A 57 -2.267 14.813 9.321 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.215 13.521 11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.751 15.271 9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.182 14.936 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.605 15.842 11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.071 16.752 10.257 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.484 17.942 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.937 18.685 13.355 1.00 0.00 H new ATOM 846 N ALA A 58 -4.528 12.543 8.779 1.00 0.00 N ATOM 847 CA ALA A 58 -5.317 11.498 8.150 1.00 0.00 C ATOM 848 C ALA A 58 -4.727 10.133 8.509 1.00 0.00 C ATOM 849 O ALA A 58 -5.461 9.161 8.680 1.00 0.00 O ATOM 850 CB ALA A 58 -5.365 11.733 6.638 1.00 0.00 C ATOM 0 H ALA A 58 -4.104 13.206 8.130 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.343 11.520 8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.957 10.949 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.820 12.703 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.353 11.715 6.235 1.00 0.00 H new ATOM 856 N GLY A 59 -3.406 10.103 8.612 1.00 0.00 N ATOM 857 CA GLY A 59 -2.709 8.874 8.947 1.00 0.00 C ATOM 858 C GLY A 59 -2.122 8.217 7.696 1.00 0.00 C ATOM 859 O GLY A 59 -2.256 7.009 7.503 1.00 0.00 O ATOM 0 H GLY A 59 -2.800 10.911 8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.911 9.087 9.659 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.396 8.184 9.436 1.00 0.00 H new ATOM 863 N LEU A 60 -1.485 9.041 6.878 1.00 0.00 N ATOM 864 CA LEU A 60 -0.877 8.556 5.650 1.00 0.00 C ATOM 865 C LEU A 60 0.567 8.138 5.932 1.00 0.00 C ATOM 866 O LEU A 60 1.073 8.343 7.034 1.00 0.00 O ATOM 867 CB LEU A 60 -1.010 9.598 4.538 1.00 0.00 C ATOM 868 CG LEU A 60 -2.403 9.749 3.923 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.425 10.872 2.885 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.892 8.421 3.341 1.00 0.00 C ATOM 0 H LEU A 60 -1.376 10.042 7.041 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.401 7.671 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.703 10.566 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.309 9.343 3.743 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.098 10.029 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.426 10.958 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.150 11.813 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.715 10.646 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.884 8.556 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.202 8.087 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.939 7.672 4.132 1.00 0.00 H new ATOM 882 N GLU A 61 1.191 7.558 4.917 1.00 0.00 N ATOM 883 CA GLU A 61 2.567 7.109 5.041 1.00 0.00 C ATOM 884 C GLU A 61 3.180 6.887 3.657 1.00 0.00 C ATOM 885 O GLU A 61 2.491 6.997 2.644 1.00 0.00 O ATOM 886 CB GLU A 61 2.655 5.839 5.890 1.00 0.00 C ATOM 887 CG GLU A 61 1.993 4.657 5.178 1.00 0.00 C ATOM 888 CD GLU A 61 1.417 3.662 6.187 1.00 0.00 C ATOM 889 OE1 GLU A 61 0.391 4.014 6.809 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.015 2.572 6.314 1.00 0.00 O ATOM 0 H GLU A 61 0.768 7.389 4.004 1.00 0.00 H new ATOM 0 HA GLU A 61 3.138 7.886 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.700 5.606 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.171 6.006 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.199 5.019 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.723 4.155 4.543 1.00 0.00 H new ATOM 897 N TYR A 62 4.469 6.579 3.659 1.00 0.00 N ATOM 898 CA TYR A 62 5.183 6.341 2.416 1.00 0.00 C ATOM 899 C TYR A 62 5.020 4.890 1.960 1.00 0.00 C ATOM 900 O TYR A 62 4.897 3.986 2.785 1.00 0.00 O ATOM 901 CB TYR A 62 6.659 6.604 2.720 1.00 0.00 C ATOM 902 CG TYR A 62 7.590 6.378 1.528 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.793 5.102 1.043 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.227 7.450 0.936 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.670 4.888 -0.079 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.104 7.237 -0.186 1.00 0.00 C ATOM 907 CZ TYR A 62 9.282 5.966 -0.638 1.00 0.00 C ATOM 908 OH TYR A 62 10.110 5.765 -1.698 1.00 0.00 O ATOM 0 H TYR A 62 5.037 6.489 4.501 1.00 0.00 H new ATOM 0 HA TYR A 62 4.798 6.983 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.771 7.632 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.971 5.957 3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.294 4.263 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.068 8.449 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.838 3.894 -0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.609 8.067 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 62 10.476 6.624 -1.995 1.00 0.00 H new ATOM 918 N GLY A 63 5.024 4.712 0.647 1.00 0.00 N ATOM 919 CA GLY A 63 4.878 3.386 0.071 1.00 0.00 C ATOM 920 C GLY A 63 3.406 3.063 -0.197 1.00 0.00 C ATOM 921 O GLY A 63 3.096 2.160 -0.972 1.00 0.00 O ATOM 0 H GLY A 63 5.126 5.464 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.442 3.326 -0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.300 2.643 0.748 1.00 0.00 H new ATOM 925 N ASP A 64 2.539 3.819 0.460 1.00 0.00 N ATOM 926 CA ASP A 64 1.107 3.625 0.303 1.00 0.00 C ATOM 927 C ASP A 64 0.683 4.094 -1.090 1.00 0.00 C ATOM 928 O ASP A 64 0.613 5.295 -1.349 1.00 0.00 O ATOM 929 CB ASP A 64 0.325 4.439 1.336 1.00 0.00 C ATOM 930 CG ASP A 64 -0.235 3.630 2.507 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.089 2.389 2.462 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.796 4.271 3.422 1.00 0.00 O ATOM 0 H ASP A 64 2.800 4.567 1.102 1.00 0.00 H new ATOM 0 HA ASP A 64 0.892 2.565 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.977 5.218 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.501 4.940 0.832 1.00 0.00 H new ATOM 937 N GLN A 65 0.411 3.124 -1.949 1.00 0.00 N ATOM 938 CA GLN A 65 -0.004 3.423 -3.309 1.00 0.00 C ATOM 939 C GLN A 65 -1.436 3.963 -3.320 1.00 0.00 C ATOM 940 O GLN A 65 -2.346 3.328 -2.789 1.00 0.00 O ATOM 941 CB GLN A 65 0.123 2.189 -4.205 1.00 0.00 C ATOM 942 CG GLN A 65 0.334 2.592 -5.666 1.00 0.00 C ATOM 943 CD GLN A 65 -0.083 1.464 -6.612 1.00 0.00 C ATOM 944 OE1 GLN A 65 0.464 0.373 -6.598 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.079 1.786 -7.432 1.00 0.00 N ATOM 0 H GLN A 65 0.470 2.130 -1.730 1.00 0.00 H new ATOM 0 HA GLN A 65 0.657 4.192 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.959 1.575 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.776 1.578 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.245 3.489 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.382 2.840 -5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.492 2.718 -7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.430 1.101 -8.102 1.00 0.00 H new ATOM 954 N LEU A 66 -1.590 5.128 -3.930 1.00 0.00 N ATOM 955 CA LEU A 66 -2.895 5.761 -4.017 1.00 0.00 C ATOM 956 C LEU A 66 -3.691 5.124 -5.159 1.00 0.00 C ATOM 957 O LEU A 66 -3.396 5.355 -6.330 1.00 0.00 O ATOM 958 CB LEU A 66 -2.748 7.279 -4.143 1.00 0.00 C ATOM 959 CG LEU A 66 -1.707 7.929 -3.229 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.450 9.381 -3.638 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.119 7.812 -1.760 1.00 0.00 C ATOM 0 H LEU A 66 -0.832 5.651 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.461 5.594 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.494 7.515 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.717 7.736 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.766 7.390 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.707 9.820 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.082 9.410 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.378 9.948 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.362 8.282 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.076 8.311 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.212 6.760 -1.491 1.00 0.00 H new ATOM 973 N LEU A 67 -4.683 4.334 -4.777 1.00 0.00 N ATOM 974 CA LEU A 67 -5.523 3.662 -5.753 1.00 0.00 C ATOM 975 C LEU A 67 -6.579 4.641 -6.271 1.00 0.00 C ATOM 976 O LEU A 67 -6.782 4.758 -7.479 1.00 0.00 O ATOM 977 CB LEU A 67 -6.112 2.379 -5.162 1.00 0.00 C ATOM 978 CG LEU A 67 -5.138 1.212 -4.988 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.832 0.010 -4.346 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.476 0.848 -6.319 1.00 0.00 C ATOM 0 H LEU A 67 -4.924 4.144 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.930 3.347 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.543 2.615 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.931 2.050 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.345 1.527 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.117 -0.805 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.217 0.293 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.657 -0.315 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.788 0.016 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.242 0.560 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.926 1.709 -6.699 1.00 0.00 H new ATOM 992 N GLU A 68 -7.222 5.319 -5.333 1.00 0.00 N ATOM 993 CA GLU A 68 -8.252 6.284 -5.679 1.00 0.00 C ATOM 994 C GLU A 68 -8.339 7.374 -4.610 1.00 0.00 C ATOM 995 O GLU A 68 -8.363 7.077 -3.416 1.00 0.00 O ATOM 996 CB GLU A 68 -9.605 5.597 -5.873 1.00 0.00 C ATOM 997 CG GLU A 68 -9.616 4.759 -7.154 1.00 0.00 C ATOM 998 CD GLU A 68 -11.029 4.662 -7.733 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.931 4.263 -6.965 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -11.175 4.987 -8.931 1.00 0.00 O ATOM 0 H GLU A 68 -7.050 5.220 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.980 6.752 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.819 4.959 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.395 6.347 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.947 5.205 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.236 3.759 -6.942 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.384 8.614 -5.076 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.468 9.750 -4.174 1.00 0.00 C ATOM 1009 C PHE A 69 -9.884 10.331 -4.154 1.00 0.00 C ATOM 1010 O PHE A 69 -10.295 11.006 -5.096 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.501 10.812 -4.701 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.578 12.147 -3.957 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.487 13.085 -4.335 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.737 12.396 -2.918 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.559 14.324 -3.646 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.808 13.635 -2.228 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.717 14.573 -2.606 1.00 0.00 C ATOM 0 H PHE A 69 -8.364 8.857 -6.067 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.217 9.439 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.483 10.428 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.707 10.984 -5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.155 12.887 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.015 11.651 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.281 15.068 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.140 13.832 -1.403 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.771 15.515 -2.081 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.590 10.047 -3.070 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.951 10.532 -2.915 1.00 0.00 C ATOM 1029 C ASN A 70 -12.807 10.018 -4.075 1.00 0.00 C ATOM 1030 O ASN A 70 -13.892 10.539 -4.329 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.996 12.062 -2.936 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.660 12.608 -1.671 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.074 11.874 -0.789 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.737 13.936 -1.631 1.00 0.00 N ATOM 0 H ASN A 70 -10.245 9.487 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.330 10.173 -1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.984 12.458 -3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.545 12.401 -3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.163 14.398 -0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.370 14.492 -2.404 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.286 9.002 -4.747 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.989 8.412 -5.873 1.00 0.00 C ATOM 1043 C GLY A 71 -12.125 8.443 -7.136 1.00 0.00 C ATOM 1044 O GLY A 71 -12.050 7.455 -7.865 1.00 0.00 O ATOM 0 H GLY A 71 -11.386 8.573 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.260 7.383 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.918 8.953 -6.050 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.494 9.587 -7.355 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.638 9.760 -8.516 1.00 0.00 C ATOM 1050 C ILE A 72 -9.829 8.482 -8.743 1.00 0.00 C ATOM 1051 O ILE A 72 -9.454 7.803 -7.788 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.776 11.015 -8.365 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.543 12.264 -8.804 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.450 10.863 -9.113 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.437 13.371 -7.753 1.00 0.00 C ATOM 0 H ILE A 72 -11.559 10.404 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.239 9.921 -9.411 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.537 11.140 -7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.148 12.622 -9.755 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.591 12.013 -8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.857 11.769 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.901 10.012 -8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.647 10.700 -10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.991 14.247 -8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.855 13.018 -6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.390 13.637 -7.609 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.584 8.191 -10.012 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.827 7.006 -10.376 1.00 0.00 C ATOM 1069 C ASN A 73 -7.346 7.371 -10.500 1.00 0.00 C ATOM 1070 O ASN A 73 -6.922 7.927 -11.513 1.00 0.00 O ATOM 1071 CB ASN A 73 -9.290 6.448 -11.723 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.900 4.976 -11.870 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -7.796 4.636 -12.262 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.866 4.125 -11.536 1.00 0.00 N ATOM 0 H ASN A 73 -9.897 8.756 -10.801 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.984 6.255 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.371 6.552 -11.811 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.847 7.028 -12.533 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.705 3.120 -11.601 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.768 4.478 -11.215 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.599 7.044 -9.456 1.00 0.00 N ATOM 1082 CA LEU A 74 -5.175 7.330 -9.435 1.00 0.00 C ATOM 1083 C LEU A 74 -4.464 6.431 -10.448 1.00 0.00 C ATOM 1084 O LEU A 74 -3.638 6.901 -11.229 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.625 7.209 -8.012 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.446 8.523 -7.249 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.447 9.438 -7.959 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.793 9.212 -7.020 1.00 0.00 C ATOM 0 H LEU A 74 -6.954 6.583 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.989 8.361 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.294 6.567 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.660 6.704 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.031 8.294 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.338 10.365 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.480 8.939 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.809 9.663 -8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.637 10.143 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.260 9.427 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.443 8.557 -6.440 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.810 5.153 -10.402 1.00 0.00 N ATOM 1101 CA ARG A 75 -4.215 4.183 -11.306 1.00 0.00 C ATOM 1102 C ARG A 75 -4.055 4.788 -12.703 1.00 0.00 C ATOM 1103 O ARG A 75 -5.043 5.047 -13.388 1.00 0.00 O ATOM 1104 CB ARG A 75 -5.072 2.919 -11.400 1.00 0.00 C ATOM 1105 CG ARG A 75 -5.500 2.442 -10.011 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.695 0.925 -9.988 1.00 0.00 C ATOM 1107 NE ARG A 75 -6.628 0.551 -8.902 1.00 0.00 N ATOM 1108 CZ ARG A 75 -6.965 -0.711 -8.602 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -6.448 -1.727 -9.306 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -7.819 -0.956 -7.599 1.00 0.00 N ATOM 0 H ARG A 75 -5.495 4.766 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.236 3.915 -10.908 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.955 3.118 -12.008 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.510 2.131 -11.902 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.746 2.726 -9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.428 2.936 -9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.086 0.586 -10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.736 0.429 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.041 1.301 -8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.798 -1.540 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.704 -2.688 -9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.213 -0.182 -7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.075 -1.916 -7.371 1.00 0.00 H new ATOM 1124 N SER A 76 -2.803 4.996 -13.083 1.00 0.00 N ATOM 1125 CA SER A 76 -2.501 5.565 -14.385 1.00 0.00 C ATOM 1126 C SER A 76 -2.555 7.093 -14.314 1.00 0.00 C ATOM 1127 O SER A 76 -2.946 7.749 -15.278 1.00 0.00 O ATOM 1128 CB SER A 76 -3.471 5.049 -15.450 1.00 0.00 C ATOM 1129 OG SER A 76 -2.825 4.842 -16.704 1.00 0.00 O ATOM 0 H SER A 76 -1.986 4.781 -12.512 1.00 0.00 H new ATOM 0 HA SER A 76 -1.495 5.256 -14.668 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.916 4.113 -15.112 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.286 5.762 -15.575 1.00 0.00 H new ATOM 0 HG SER A 76 -3.477 4.511 -17.357 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.159 7.614 -13.162 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.157 9.052 -12.952 1.00 0.00 C ATOM 1137 C ALA A 77 -0.718 9.569 -13.004 1.00 0.00 C ATOM 1138 O ALA A 77 0.222 8.826 -12.729 1.00 0.00 O ATOM 1139 CB ALA A 77 -2.846 9.375 -11.625 1.00 0.00 C ATOM 0 H ALA A 77 -1.837 7.066 -12.364 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.716 9.556 -13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.845 10.454 -11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.874 9.013 -11.651 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.311 8.888 -10.809 1.00 0.00 H new ATOM 1145 N THR A 78 -0.592 10.840 -13.357 1.00 0.00 N ATOM 1146 CA THR A 78 0.716 11.465 -13.448 1.00 0.00 C ATOM 1147 C THR A 78 1.013 12.267 -12.179 1.00 0.00 C ATOM 1148 O THR A 78 0.103 12.813 -11.558 1.00 0.00 O ATOM 1149 CB THR A 78 0.749 12.310 -14.723 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.567 12.849 -14.816 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.893 11.459 -15.986 1.00 0.00 C ATOM 0 H THR A 78 -1.375 11.454 -13.583 1.00 0.00 H new ATOM 0 HA THR A 78 1.507 10.718 -13.516 1.00 0.00 H new ATOM 0 HB THR A 78 1.575 13.019 -14.667 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.648 13.619 -14.215 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.911 12.108 -16.862 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.821 10.889 -15.937 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.050 10.773 -16.060 1.00 0.00 H new ATOM 1159 N GLU A 79 2.291 12.313 -11.832 1.00 0.00 N ATOM 1160 CA GLU A 79 2.719 13.039 -10.649 1.00 0.00 C ATOM 1161 C GLU A 79 2.063 14.420 -10.607 1.00 0.00 C ATOM 1162 O GLU A 79 1.639 14.878 -9.547 1.00 0.00 O ATOM 1163 CB GLU A 79 4.244 13.155 -10.599 1.00 0.00 C ATOM 1164 CG GLU A 79 4.827 13.334 -12.002 1.00 0.00 C ATOM 1165 CD GLU A 79 6.217 13.970 -11.941 1.00 0.00 C ATOM 1166 OE1 GLU A 79 7.105 13.335 -11.331 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.361 15.075 -12.506 1.00 0.00 O ATOM 0 H GLU A 79 3.044 11.859 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 79 2.400 12.480 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.527 14.001 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.665 12.262 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.887 12.367 -12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.163 13.959 -12.599 1.00 0.00 H new ATOM 1174 N GLN A 80 2.000 15.046 -11.774 1.00 0.00 N ATOM 1175 CA GLN A 80 1.403 16.366 -11.884 1.00 0.00 C ATOM 1176 C GLN A 80 -0.090 16.302 -11.556 1.00 0.00 C ATOM 1177 O GLN A 80 -0.651 17.251 -11.010 1.00 0.00 O ATOM 1178 CB GLN A 80 1.633 16.958 -13.276 1.00 0.00 C ATOM 1179 CG GLN A 80 0.964 16.102 -14.353 1.00 0.00 C ATOM 1180 CD GLN A 80 -0.182 16.862 -15.023 1.00 0.00 C ATOM 1181 OE1 GLN A 80 -0.221 18.081 -15.050 1.00 0.00 O ATOM 1182 NE2 GLN A 80 -1.111 16.076 -15.561 1.00 0.00 N ATOM 0 H GLN A 80 2.353 14.663 -12.651 1.00 0.00 H new ATOM 0 HA GLN A 80 1.887 17.023 -11.161 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.236 17.972 -13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.703 17.027 -13.474 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.701 15.813 -15.103 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.584 15.182 -13.908 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.017 15.062 -15.503 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.917 16.487 -16.032 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.692 15.173 -11.902 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.109 14.973 -11.651 1.00 0.00 C ATOM 1193 C GLN A 81 -2.360 14.769 -10.156 1.00 0.00 C ATOM 1194 O GLN A 81 -3.222 15.424 -9.573 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.648 13.793 -12.463 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.325 14.276 -13.748 1.00 0.00 C ATOM 1197 CD GLN A 81 -3.928 13.103 -14.524 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -5.007 12.617 -14.227 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -3.172 12.677 -15.532 1.00 0.00 N ATOM 0 H GLN A 81 -0.224 14.388 -12.354 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.644 15.867 -11.971 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.832 13.114 -12.711 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.361 13.229 -11.862 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.107 14.995 -13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.599 14.795 -14.373 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.279 13.129 -15.726 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.486 11.898 -16.111 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.590 13.858 -9.578 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.718 13.560 -8.162 1.00 0.00 C ATOM 1210 C ALA A 82 -1.598 14.857 -7.359 1.00 0.00 C ATOM 1211 O ALA A 82 -2.495 15.202 -6.591 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.664 12.526 -7.760 1.00 0.00 C ATOM 0 H ALA A 82 -0.876 13.317 -10.065 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.696 13.129 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.760 12.303 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.811 11.613 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.331 12.925 -7.958 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.482 15.542 -7.564 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.233 16.793 -6.869 1.00 0.00 C ATOM 1220 C ARG A 83 -1.444 17.720 -6.996 1.00 0.00 C ATOM 1221 O ARG A 83 -1.628 18.621 -6.179 1.00 0.00 O ATOM 1222 CB ARG A 83 1.002 17.499 -7.432 1.00 0.00 C ATOM 1223 CG ARG A 83 2.286 16.804 -6.976 1.00 0.00 C ATOM 1224 CD ARG A 83 3.519 17.632 -7.344 1.00 0.00 C ATOM 1225 NE ARG A 83 4.484 17.629 -6.223 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.658 18.274 -6.240 1.00 0.00 C ATOM 1227 NH1 ARG A 83 6.019 18.979 -7.321 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.471 18.215 -5.177 1.00 0.00 N ATOM 0 H ARG A 83 0.260 15.254 -8.202 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.057 16.560 -5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.956 17.507 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.011 18.539 -7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.256 16.649 -5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.354 15.819 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.988 17.223 -8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.224 18.655 -7.578 1.00 0.00 H new ATOM 0 HE ARG A 83 4.240 17.103 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.400 19.024 -8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.913 19.470 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.196 17.679 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.365 18.706 -5.191 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.238 17.467 -8.026 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.426 18.268 -8.269 1.00 0.00 C ATOM 1244 C LEU A 84 -4.617 17.639 -7.543 1.00 0.00 C ATOM 1245 O LEU A 84 -5.315 18.314 -6.788 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.649 18.452 -9.771 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.759 19.488 -10.460 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.612 19.181 -11.952 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -3.278 20.907 -10.214 1.00 0.00 C ATOM 0 H LEU A 84 -2.082 16.719 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.299 19.272 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.499 17.490 -10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.690 18.732 -9.932 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.763 19.429 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.975 19.933 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.163 18.196 -12.078 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.594 19.195 -12.425 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.627 21.624 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.290 20.998 -10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.287 21.111 -9.143 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.813 16.354 -7.797 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.908 15.627 -7.177 1.00 0.00 C ATOM 1263 C ILE A 85 -5.816 15.774 -5.657 1.00 0.00 C ATOM 1264 O ILE A 85 -6.792 16.142 -5.005 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.924 14.173 -7.655 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.050 14.098 -9.177 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.023 13.377 -6.948 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.840 12.666 -9.674 1.00 0.00 C ATOM 0 H ILE A 85 -4.232 15.797 -8.424 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.866 16.049 -7.481 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.972 13.714 -7.389 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.035 14.452 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.317 14.759 -9.639 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.013 12.347 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.847 13.390 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.993 13.826 -7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.935 12.640 -10.760 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.845 12.324 -9.388 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.590 12.013 -9.229 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.634 15.480 -5.137 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.402 15.575 -3.706 1.00 0.00 C ATOM 1282 C ILE A 86 -4.433 17.046 -3.285 1.00 0.00 C ATOM 1283 O ILE A 86 -4.966 17.381 -2.228 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.107 14.854 -3.324 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.882 15.679 -3.721 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.068 13.446 -3.920 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.639 14.795 -3.836 1.00 0.00 C ATOM 0 H ILE A 86 -3.826 15.176 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.196 15.069 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.083 14.746 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.068 16.177 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.710 16.460 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.138 12.955 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.913 12.869 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.125 13.509 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.218 15.407 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.442 14.317 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.805 14.030 -4.594 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.856 17.884 -4.133 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.811 19.311 -3.863 1.00 0.00 C ATOM 1301 C GLY A 87 -5.082 20.003 -4.359 1.00 0.00 C ATOM 1302 O GLY A 87 -5.017 21.079 -4.951 1.00 0.00 O ATOM 0 H GLY A 87 -3.415 17.602 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.696 19.479 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.940 19.750 -4.350 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.210 19.357 -4.100 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.494 19.897 -4.513 1.00 0.00 C ATOM 1308 C GLN A 88 -8.219 20.515 -3.316 1.00 0.00 C ATOM 1309 O GLN A 88 -7.653 20.620 -2.229 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.353 18.820 -5.178 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.081 18.753 -6.682 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.389 18.766 -7.477 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.157 19.713 -7.444 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.599 17.663 -8.190 1.00 0.00 N ATOM 0 H GLN A 88 -6.261 18.464 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.317 20.680 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.144 17.851 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.408 19.033 -5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.461 19.598 -6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.519 17.848 -6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.915 16.907 -8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.444 17.573 -8.754 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.462 20.908 -3.556 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.270 21.513 -2.512 1.00 0.00 C ATOM 1325 C GLN A 89 -11.338 20.529 -2.030 1.00 0.00 C ATOM 1326 O GLN A 89 -11.878 19.757 -2.821 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.906 22.818 -2.997 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.259 22.736 -4.484 1.00 0.00 C ATOM 1329 CD GLN A 89 -12.142 21.520 -4.772 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -13.201 21.339 -4.193 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -11.649 20.700 -5.696 1.00 0.00 N ATOM 0 H GLN A 89 -9.929 20.819 -4.459 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.620 21.755 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.805 23.026 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.219 23.647 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.776 23.646 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.345 22.675 -5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.756 20.912 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.164 19.860 -5.959 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.611 20.588 -0.735 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.604 19.712 -0.138 1.00 0.00 C ATOM 1342 C CYS A 90 -12.348 19.651 1.369 1.00 0.00 C ATOM 1343 O CYS A 90 -11.329 19.119 1.808 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.588 18.321 -0.777 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.991 18.150 -1.939 1.00 0.00 S ATOM 0 H CYS A 90 -11.161 21.230 -0.082 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.602 20.112 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.647 18.165 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.650 17.556 -0.003 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.713 18.767 -3.049 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.290 20.202 2.120 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.179 20.217 3.568 1.00 0.00 C ATOM 1353 C ASP A 91 -12.798 18.820 4.061 1.00 0.00 C ATOM 1354 O ASP A 91 -11.902 18.673 4.891 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.510 20.601 4.219 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.772 22.105 4.316 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.820 22.744 3.242 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -14.918 22.583 5.462 1.00 0.00 O ATOM 0 H ASP A 91 -14.134 20.641 1.752 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.420 20.950 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.320 20.142 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.542 20.176 5.222 1.00 0.00 H new ATOM 1363 N THR A 92 -13.497 17.829 3.529 1.00 0.00 N ATOM 1364 CA THR A 92 -13.243 16.448 3.904 1.00 0.00 C ATOM 1365 C THR A 92 -13.097 15.575 2.656 1.00 0.00 C ATOM 1366 O THR A 92 -13.990 15.540 1.810 1.00 0.00 O ATOM 1367 CB THR A 92 -14.371 15.995 4.833 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.474 17.045 5.791 1.00 0.00 O ATOM 1369 CG2 THR A 92 -13.988 14.769 5.664 1.00 0.00 C ATOM 0 H THR A 92 -14.239 17.954 2.841 1.00 0.00 H new ATOM 0 HA THR A 92 -12.300 16.352 4.443 1.00 0.00 H new ATOM 0 HB THR A 92 -15.259 15.770 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.184 16.834 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.823 14.489 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.747 13.939 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.120 15.004 6.280 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.965 14.890 2.581 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.691 14.019 1.451 1.00 0.00 C ATOM 1379 C ILE A 93 -11.131 12.690 1.961 1.00 0.00 C ATOM 1380 O ILE A 93 -10.455 12.650 2.988 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.782 14.722 0.441 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.958 13.708 -0.354 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.898 15.764 1.131 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.684 13.323 0.401 1.00 0.00 C ATOM 0 H ILE A 93 -11.227 14.921 3.285 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.611 13.792 0.913 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.412 15.255 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.556 12.817 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.696 14.128 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.262 16.249 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.527 16.512 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.275 15.274 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.117 12.601 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.077 14.213 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.950 12.881 1.361 1.00 0.00 H new ATOM 1396 N THR A 94 -11.433 11.634 1.220 1.00 0.00 N ATOM 1397 CA THR A 94 -10.968 10.306 1.585 1.00 0.00 C ATOM 1398 C THR A 94 -9.854 9.853 0.639 1.00 0.00 C ATOM 1399 O THR A 94 -9.618 10.479 -0.393 1.00 0.00 O ATOM 1400 CB THR A 94 -12.176 9.368 1.594 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.217 10.149 2.175 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.002 8.199 2.565 1.00 0.00 C ATOM 0 H THR A 94 -11.994 11.671 0.369 1.00 0.00 H new ATOM 0 HA THR A 94 -10.527 10.301 2.582 1.00 0.00 H new ATOM 0 HB THR A 94 -12.344 8.983 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.039 9.618 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.887 7.564 2.532 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.127 7.616 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.868 8.583 3.576 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.198 8.768 1.026 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.115 8.224 0.225 1.00 0.00 C ATOM 1412 C ILE A 95 -8.195 6.696 0.238 1.00 0.00 C ATOM 1413 O ILE A 95 -8.450 6.093 1.280 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.769 8.774 0.700 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.451 10.108 0.022 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.653 7.746 0.495 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.424 10.903 0.831 1.00 0.00 C ATOM 0 H ILE A 95 -9.396 8.252 1.883 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.213 8.540 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.838 8.966 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.067 9.927 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.365 10.692 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.707 8.162 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.881 6.843 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.575 7.499 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.216 11.847 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.821 11.103 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.503 10.326 0.917 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.972 6.113 -0.930 1.00 0.00 N ATOM 1430 CA LEU A 96 -8.015 4.667 -1.066 1.00 0.00 C ATOM 1431 C LEU A 96 -6.595 4.136 -1.268 1.00 0.00 C ATOM 1432 O LEU A 96 -6.135 3.996 -2.400 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.987 4.262 -2.176 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.075 2.765 -2.477 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.494 1.979 -1.233 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -10.003 2.498 -3.664 1.00 0.00 C ATOM 0 H LEU A 96 -7.761 6.616 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.400 4.210 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.982 4.618 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.699 4.780 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.082 2.414 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.549 0.918 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.761 2.133 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.471 2.325 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.048 1.426 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.002 2.868 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.621 3.010 -4.547 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.939 3.853 -0.152 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.580 3.340 -0.192 1.00 0.00 C ATOM 1450 C ALA A 97 -4.613 1.813 -0.101 1.00 0.00 C ATOM 1451 O ALA A 97 -5.680 1.220 0.053 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.761 3.973 0.934 1.00 0.00 C ATOM 0 H ALA A 97 -6.323 3.969 0.786 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.098 3.604 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.742 3.588 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.744 5.055 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.213 3.727 1.895 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.433 1.220 -0.200 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.313 -0.226 -0.131 1.00 0.00 C ATOM 1460 C GLN A 98 -1.840 -0.639 -0.156 1.00 0.00 C ATOM 1461 O GLN A 98 -1.307 -0.985 -1.210 1.00 0.00 O ATOM 1462 CB GLN A 98 -4.090 -0.895 -1.266 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.247 -2.396 -1.013 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.739 -3.116 -2.271 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.706 -2.590 -3.371 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.196 -4.345 -2.047 1.00 0.00 N ATOM 0 H GLN A 98 -2.550 1.715 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.748 -0.563 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.073 -0.434 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.571 -0.734 -2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.292 -2.817 -0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.951 -2.559 -0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.195 -4.725 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.547 -4.908 -2.822 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.224 -0.589 1.016 1.00 0.00 N ATOM 1476 CA TYR A 99 0.177 -0.954 1.141 1.00 0.00 C ATOM 1477 C TYR A 99 0.518 -2.137 0.234 1.00 0.00 C ATOM 1478 O TYR A 99 -0.289 -3.051 0.069 1.00 0.00 O ATOM 1479 CB TYR A 99 0.375 -1.370 2.600 1.00 0.00 C ATOM 1480 CG TYR A 99 1.802 -1.813 2.931 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.170 -3.133 2.767 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.720 -0.893 3.396 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.513 -3.550 3.079 1.00 0.00 C ATOM 1484 CE2 TYR A 99 4.062 -1.310 3.708 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.392 -2.618 3.534 1.00 0.00 C ATOM 1486 OH TYR A 99 5.660 -3.012 3.830 1.00 0.00 O ATOM 0 H TYR A 99 -1.669 -0.301 1.887 1.00 0.00 H new ATOM 0 HA TYR A 99 0.818 -0.121 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.106 -0.534 3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.311 -2.185 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.451 -3.853 2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.431 0.140 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.815 -4.579 2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.790 -0.600 4.072 1.00 0.00 H new ATOM 0 HH TYR A 99 6.178 -2.241 4.143 1.00 0.00 H new ATOM 1496 N ASN A 100 1.716 -2.083 -0.330 1.00 0.00 N ATOM 1497 CA ASN A 100 2.175 -3.140 -1.216 1.00 0.00 C ATOM 1498 C ASN A 100 3.653 -3.422 -0.943 1.00 0.00 C ATOM 1499 O ASN A 100 4.505 -2.564 -1.168 1.00 0.00 O ATOM 1500 CB ASN A 100 2.035 -2.728 -2.683 1.00 0.00 C ATOM 1501 CG ASN A 100 2.099 -3.948 -3.604 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.385 -5.058 -3.187 1.00 0.00 O ATOM 1503 ND2 ASN A 100 1.817 -3.681 -4.876 1.00 0.00 N ATOM 0 H ASN A 100 2.383 -1.324 -0.191 1.00 0.00 H new ATOM 0 HA ASN A 100 1.566 -4.025 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.089 -2.207 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.828 -2.028 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.832 -4.429 -5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.585 -2.729 -5.158 1.00 0.00 H new ATOM 1510 N PRO A 101 3.920 -4.662 -0.451 1.00 0.00 N ATOM 1511 CA PRO A 101 5.281 -5.068 -0.145 1.00 0.00 C ATOM 1512 C PRO A 101 6.064 -5.371 -1.424 1.00 0.00 C ATOM 1513 O PRO A 101 6.626 -6.455 -1.571 1.00 0.00 O ATOM 1514 CB PRO A 101 5.136 -6.279 0.762 1.00 0.00 C ATOM 1515 CG PRO A 101 3.718 -6.786 0.557 1.00 0.00 C ATOM 1516 CD PRO A 101 2.937 -5.705 -0.173 1.00 0.00 C ATOM 0 HA PRO A 101 5.853 -4.282 0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.866 -7.047 0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.307 -6.009 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.723 -7.710 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.251 -7.013 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.495 -6.088 -1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.119 -5.325 0.439 1.00 0.00 H new