USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 413 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 30 SER OG : rot 141:sc= 1.14 USER MOD Set 1.2: A 72 THR OG1 : rot 106:sc= 1.12 USER MOD Set 2.1: A 25 GLN : amide:sc= -3.88! C(o=-4.4!,f=-6.4!) USER MOD Set 2.2: A 68 GLN : amide:sc= -0.567 K(o=-4.4,f=-9.3!) USER MOD Set 3.1: A 63 LYS NZ :NH3+ -134:sc= 0.661 (180deg=0) USER MOD Set 3.2: A 67 GLN : amide:sc= -1.88! C(o=-1.2!,f=-6.7!) USER MOD Single : A 18 TYR OH : rot -116:sc= 0.867 USER MOD Single : A 19 GLN : amide:sc= -15.3! C(o=-15!,f=-20!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -112:sc= 1.21 USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.555 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.0441 K(o=0.044,f=-7.4!) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.268) USER MOD Single : A 58 SER OG : rot -116:sc= 0.645 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 239 N TYR A 18 -0.551 -9.415 2.208 1.00 0.00 N ATOM 240 CA TYR A 18 0.021 -8.247 2.942 1.00 0.00 C ATOM 241 C TYR A 18 1.471 -8.040 2.503 1.00 0.00 C ATOM 242 O TYR A 18 2.275 -8.950 2.531 1.00 0.00 O ATOM 243 CB TYR A 18 -0.052 -8.601 4.425 1.00 0.00 C ATOM 244 CG TYR A 18 -1.352 -8.103 5.030 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.323 -7.479 4.228 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.581 -8.260 6.402 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.515 -7.020 4.800 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.775 -7.800 6.973 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.742 -7.180 6.172 1.00 0.00 C ATOM 250 OH TYR A 18 -4.916 -6.728 6.735 1.00 0.00 O ATOM 0 HA TYR A 18 -0.522 -7.324 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.024 -9.681 4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.794 -8.159 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.149 -7.354 3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.836 -8.737 7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.261 -6.542 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.950 -7.924 8.032 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.718 -6.009 7.371 1.00 0.00 H new ATOM 260 N GLN A 19 1.808 -6.853 2.086 1.00 0.00 N ATOM 261 CA GLN A 19 3.201 -6.589 1.631 1.00 0.00 C ATOM 262 C GLN A 19 4.207 -7.066 2.683 1.00 0.00 C ATOM 263 O GLN A 19 4.110 -6.734 3.848 1.00 0.00 O ATOM 264 CB GLN A 19 3.274 -5.069 1.444 1.00 0.00 C ATOM 265 CG GLN A 19 4.691 -4.567 1.711 1.00 0.00 C ATOM 266 CD GLN A 19 5.524 -4.720 0.441 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.151 -3.780 -0.007 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.561 -5.873 -0.162 1.00 0.00 N ATOM 0 H GLN A 19 1.178 -6.052 2.040 1.00 0.00 H new ATOM 0 HA GLN A 19 3.445 -7.120 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.973 -4.806 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.574 -4.579 2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.667 -3.522 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.142 -5.132 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.035 -6.662 0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.116 -5.987 -1.010 1.00 0.00 H new ATOM 277 N LYS A 20 5.180 -7.829 2.271 1.00 0.00 N ATOM 278 CA LYS A 20 6.209 -8.317 3.233 1.00 0.00 C ATOM 279 C LYS A 20 7.450 -7.428 3.138 1.00 0.00 C ATOM 280 O LYS A 20 8.063 -7.086 4.129 1.00 0.00 O ATOM 281 CB LYS A 20 6.531 -9.743 2.784 1.00 0.00 C ATOM 282 CG LYS A 20 5.540 -10.717 3.424 1.00 0.00 C ATOM 283 CD LYS A 20 5.998 -12.153 3.167 1.00 0.00 C ATOM 284 CE LYS A 20 5.451 -12.631 1.820 1.00 0.00 C ATOM 285 NZ LYS A 20 5.546 -14.116 1.872 1.00 0.00 N ATOM 0 H LYS A 20 5.308 -8.137 1.307 1.00 0.00 H new ATOM 0 HA LYS A 20 5.866 -8.292 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.477 -9.814 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.550 -10.004 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.473 -10.532 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.543 -10.562 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.087 -12.204 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.647 -12.806 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.421 -12.306 1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.033 -12.227 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.189 -14.518 0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.539 -14.396 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.977 -14.473 2.666 1.00 0.00 H new ATOM 299 N ARG A 21 7.812 -7.042 1.946 1.00 0.00 N ATOM 300 CA ARG A 21 8.999 -6.161 1.766 1.00 0.00 C ATOM 301 C ARG A 21 8.599 -4.714 2.043 1.00 0.00 C ATOM 302 O ARG A 21 7.470 -4.330 1.827 1.00 0.00 O ATOM 303 CB ARG A 21 9.406 -6.350 0.299 1.00 0.00 C ATOM 304 CG ARG A 21 10.023 -5.060 -0.253 1.00 0.00 C ATOM 305 CD ARG A 21 11.247 -5.402 -1.106 1.00 0.00 C ATOM 306 NE ARG A 21 11.522 -4.168 -1.892 1.00 0.00 N ATOM 307 CZ ARG A 21 12.750 -3.851 -2.201 1.00 0.00 C ATOM 308 NH1 ARG A 21 13.709 -4.721 -2.042 1.00 0.00 N ATOM 309 NH2 ARG A 21 13.018 -2.662 -2.669 1.00 0.00 N ATOM 0 H ARG A 21 7.333 -7.301 1.083 1.00 0.00 H new ATOM 0 HA ARG A 21 9.820 -6.402 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.122 -7.168 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.535 -6.627 -0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.289 -4.521 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.311 -4.402 0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.100 -5.672 -0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.048 -6.251 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 21 10.751 -3.570 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.500 -5.650 -1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.668 -4.472 -2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.268 -1.982 -2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.977 -2.413 -2.911 1.00 0.00 H new ATOM 323 N PRO A 22 9.542 -3.956 2.513 1.00 0.00 N ATOM 324 CA PRO A 22 9.280 -2.533 2.817 1.00 0.00 C ATOM 325 C PRO A 22 8.972 -1.757 1.543 1.00 0.00 C ATOM 326 O PRO A 22 9.635 -1.892 0.534 1.00 0.00 O ATOM 327 CB PRO A 22 10.569 -2.059 3.469 1.00 0.00 C ATOM 328 CG PRO A 22 11.613 -3.014 2.981 1.00 0.00 C ATOM 329 CD PRO A 22 10.926 -4.337 2.801 1.00 0.00 C ATOM 0 HA PRO A 22 8.414 -2.384 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.804 -1.034 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.493 -2.077 4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.045 -2.670 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.431 -3.095 3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.364 -4.911 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.996 -4.953 3.697 1.00 0.00 H new ATOM 337 N LEU A 23 7.954 -0.956 1.592 1.00 0.00 N ATOM 338 CA LEU A 23 7.557 -0.165 0.399 1.00 0.00 C ATOM 339 C LEU A 23 7.567 1.332 0.714 1.00 0.00 C ATOM 340 O LEU A 23 7.012 1.766 1.703 1.00 0.00 O ATOM 341 CB LEU A 23 6.145 -0.640 0.086 1.00 0.00 C ATOM 342 CG LEU A 23 6.166 -1.442 -1.207 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.815 -2.133 -1.405 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.433 -0.497 -2.380 1.00 0.00 C ATOM 0 H LEU A 23 7.371 -0.812 2.417 1.00 0.00 H new ATOM 0 HA LEU A 23 8.239 -0.305 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.765 -1.253 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.474 0.213 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 23 6.951 -2.196 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.832 -2.707 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.623 -2.803 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.027 -1.382 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.449 -1.066 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.645 0.255 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.395 -0.005 -2.239 1.00 0.00 H new ATOM 356 N PRO A 24 8.205 2.072 -0.152 1.00 0.00 N ATOM 357 CA PRO A 24 8.296 3.541 0.020 1.00 0.00 C ATOM 358 C PRO A 24 6.954 4.199 -0.308 1.00 0.00 C ATOM 359 O PRO A 24 5.988 3.536 -0.630 1.00 0.00 O ATOM 360 CB PRO A 24 9.364 3.954 -0.989 1.00 0.00 C ATOM 361 CG PRO A 24 9.347 2.883 -2.033 1.00 0.00 C ATOM 362 CD PRO A 24 8.895 1.612 -1.361 1.00 0.00 C ATOM 0 HA PRO A 24 8.541 3.840 1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.142 4.930 -1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.344 4.030 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.672 3.149 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.338 2.756 -2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.230 1.036 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.740 0.968 -1.117 1.00 0.00 H new ATOM 370 N GLN A 25 6.888 5.497 -0.223 1.00 0.00 N ATOM 371 CA GLN A 25 5.616 6.206 -0.520 1.00 0.00 C ATOM 372 C GLN A 25 5.813 7.211 -1.657 1.00 0.00 C ATOM 373 O GLN A 25 4.945 7.402 -2.487 1.00 0.00 O ATOM 374 CB GLN A 25 5.263 6.929 0.779 1.00 0.00 C ATOM 375 CG GLN A 25 3.939 7.675 0.608 1.00 0.00 C ATOM 376 CD GLN A 25 4.221 9.127 0.218 1.00 0.00 C ATOM 377 OE1 GLN A 25 5.342 9.586 0.309 1.00 0.00 O ATOM 378 NE2 GLN A 25 3.244 9.876 -0.214 1.00 0.00 N ATOM 0 H GLN A 25 7.667 6.101 0.041 1.00 0.00 H new ATOM 0 HA GLN A 25 4.829 5.524 -0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.185 6.212 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.055 7.629 1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.333 7.192 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.367 7.640 1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.302 9.492 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.422 10.846 -0.475 1.00 0.00 H new ATOM 387 N VAL A 26 6.947 7.856 -1.704 1.00 0.00 N ATOM 388 CA VAL A 26 7.199 8.847 -2.783 1.00 0.00 C ATOM 389 C VAL A 26 7.328 8.140 -4.138 1.00 0.00 C ATOM 390 O VAL A 26 7.527 8.768 -5.159 1.00 0.00 O ATOM 391 CB VAL A 26 8.512 9.516 -2.382 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.274 9.952 -3.631 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.215 10.740 -1.516 1.00 0.00 C ATOM 0 H VAL A 26 7.711 7.737 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 26 6.389 9.568 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 26 9.119 8.807 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.210 10.429 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.488 9.080 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.669 10.659 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.151 11.219 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.605 11.445 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.677 10.430 -0.620 1.00 0.00 H new ATOM 403 N LEU A 27 7.215 6.839 -4.155 1.00 0.00 N ATOM 404 CA LEU A 27 7.331 6.100 -5.444 1.00 0.00 C ATOM 405 C LEU A 27 5.959 5.584 -5.888 1.00 0.00 C ATOM 406 O LEU A 27 5.745 5.287 -7.047 1.00 0.00 O ATOM 407 CB LEU A 27 8.271 4.931 -5.145 1.00 0.00 C ATOM 408 CG LEU A 27 8.343 4.011 -6.364 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.224 4.653 -7.437 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.944 2.665 -5.952 1.00 0.00 C ATOM 0 H LEU A 27 7.048 6.258 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 27 7.706 6.732 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.265 5.304 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.914 4.376 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 27 7.340 3.856 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.275 3.997 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.798 5.612 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.227 4.808 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.996 2.008 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.947 2.821 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.318 2.206 -5.187 1.00 0.00 H new ATOM 422 N LEU A 28 5.027 5.471 -4.979 1.00 0.00 N ATOM 423 CA LEU A 28 3.676 4.971 -5.356 1.00 0.00 C ATOM 424 C LEU A 28 2.711 6.143 -5.556 1.00 0.00 C ATOM 425 O LEU A 28 3.034 7.278 -5.268 1.00 0.00 O ATOM 426 CB LEU A 28 3.234 4.117 -4.171 1.00 0.00 C ATOM 427 CG LEU A 28 4.258 3.006 -3.927 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.282 2.654 -2.438 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.864 1.767 -4.734 1.00 0.00 C ATOM 0 H LEU A 28 5.144 5.704 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 28 3.689 4.409 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.136 4.737 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.253 3.684 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 28 5.246 3.346 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.011 1.863 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.558 3.536 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.294 2.312 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.592 0.974 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.877 1.428 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.842 2.016 -5.795 1.00 0.00 H new ATOM 441 N SER A 29 1.530 5.880 -6.049 1.00 0.00 N ATOM 442 CA SER A 29 0.557 6.988 -6.264 1.00 0.00 C ATOM 443 C SER A 29 -0.420 7.095 -5.091 1.00 0.00 C ATOM 444 O SER A 29 -0.345 8.006 -4.291 1.00 0.00 O ATOM 445 CB SER A 29 -0.189 6.627 -7.546 1.00 0.00 C ATOM 446 OG SER A 29 -1.116 7.659 -7.855 1.00 0.00 O ATOM 0 H SER A 29 1.199 4.951 -6.311 1.00 0.00 H new ATOM 0 HA SER A 29 1.059 7.952 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.516 6.498 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.711 5.678 -7.422 1.00 0.00 H new ATOM 0 HG SER A 29 -1.596 7.432 -8.679 1.00 0.00 H new ATOM 452 N SER A 30 -1.344 6.182 -4.989 1.00 0.00 N ATOM 453 CA SER A 30 -2.332 6.251 -3.871 1.00 0.00 C ATOM 454 C SER A 30 -2.643 4.855 -3.325 1.00 0.00 C ATOM 455 O SER A 30 -1.895 3.917 -3.515 1.00 0.00 O ATOM 456 CB SER A 30 -3.583 6.867 -4.494 1.00 0.00 C ATOM 457 OG SER A 30 -4.042 6.031 -5.548 1.00 0.00 O ATOM 0 H SER A 30 -1.460 5.394 -5.626 1.00 0.00 H new ATOM 0 HA SER A 30 -1.953 6.834 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.361 6.981 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.361 7.864 -4.875 1.00 0.00 H new ATOM 0 HG SER A 30 -5.022 6.001 -5.539 1.00 0.00 H new ATOM 463 N TRP A 31 -3.749 4.720 -2.644 1.00 0.00 N ATOM 464 CA TRP A 31 -4.131 3.396 -2.072 1.00 0.00 C ATOM 465 C TRP A 31 -5.637 3.355 -1.828 1.00 0.00 C ATOM 466 O TRP A 31 -6.287 4.376 -1.740 1.00 0.00 O ATOM 467 CB TRP A 31 -3.394 3.308 -0.739 1.00 0.00 C ATOM 468 CG TRP A 31 -3.939 4.345 0.184 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.722 5.669 0.057 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.787 4.177 1.357 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.375 6.331 1.080 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.048 5.454 1.907 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.349 3.055 1.993 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.838 5.613 3.047 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.146 3.212 3.139 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.389 4.488 3.665 1.00 0.00 C ATOM 0 H TRP A 31 -4.409 5.475 -2.458 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.877 2.572 -2.739 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.517 2.316 -0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.325 3.461 -0.888 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.133 6.137 -0.718 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.361 7.343 1.208 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.166 2.067 1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.022 6.599 3.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.574 2.344 3.618 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.002 4.601 4.547 1.00 0.00 H new ATOM 487 N TYR A 32 -6.195 2.188 -1.699 1.00 0.00 N ATOM 488 CA TYR A 32 -7.662 2.098 -1.439 1.00 0.00 C ATOM 489 C TYR A 32 -7.970 0.858 -0.595 1.00 0.00 C ATOM 490 O TYR A 32 -7.379 -0.187 -0.776 1.00 0.00 O ATOM 491 CB TYR A 32 -8.317 2.046 -2.824 1.00 0.00 C ATOM 492 CG TYR A 32 -8.452 0.625 -3.304 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.427 -0.207 -2.750 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.612 0.149 -4.314 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.562 -1.524 -3.204 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.744 -1.168 -4.770 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.720 -2.005 -4.215 1.00 0.00 C ATOM 498 OH TYR A 32 -8.852 -3.303 -4.664 1.00 0.00 O ATOM 0 H TYR A 32 -5.706 1.295 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.045 2.945 -0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.300 2.515 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.720 2.618 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.077 0.166 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.861 0.797 -4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.315 -2.169 -2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.094 -1.538 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.192 -3.475 -5.367 1.00 0.00 H new ATOM 508 N PRO A 33 -8.874 1.037 0.328 1.00 0.00 N ATOM 509 CA PRO A 33 -9.265 -0.054 1.260 1.00 0.00 C ATOM 510 C PRO A 33 -9.966 -1.195 0.518 1.00 0.00 C ATOM 511 O PRO A 33 -10.480 -1.024 -0.566 1.00 0.00 O ATOM 512 CB PRO A 33 -10.209 0.636 2.238 1.00 0.00 C ATOM 513 CG PRO A 33 -10.737 1.805 1.483 1.00 0.00 C ATOM 514 CD PRO A 33 -9.623 2.268 0.589 1.00 0.00 C ATOM 0 HA PRO A 33 -8.410 -0.517 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.013 -0.030 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.685 0.950 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.614 1.526 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.046 2.599 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.003 2.712 -0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.003 3.022 1.074 1.00 0.00 H new ATOM 522 N THR A 34 -9.987 -2.365 1.097 1.00 0.00 N ATOM 523 CA THR A 34 -10.647 -3.518 0.422 1.00 0.00 C ATOM 524 C THR A 34 -11.941 -3.889 1.152 1.00 0.00 C ATOM 525 O THR A 34 -12.290 -3.300 2.156 1.00 0.00 O ATOM 526 CB THR A 34 -9.638 -4.670 0.507 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.835 -5.376 1.725 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.209 -4.122 0.460 1.00 0.00 C ATOM 0 H THR A 34 -9.576 -2.572 2.007 1.00 0.00 H new ATOM 0 HA THR A 34 -10.915 -3.288 -0.609 1.00 0.00 H new ATOM 0 HB THR A 34 -9.788 -5.342 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.066 -5.232 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.500 -4.948 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.057 -3.582 -0.474 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.051 -3.446 1.300 1.00 0.00 H new ATOM 640 N GLY A 42 -7.991 -5.419 3.941 1.00 0.00 N ATOM 641 CA GLY A 42 -6.787 -4.633 4.335 1.00 0.00 C ATOM 642 C GLY A 42 -6.661 -3.401 3.440 1.00 0.00 C ATOM 643 O GLY A 42 -7.645 -2.824 3.021 1.00 0.00 O ATOM 0 HA2 GLY A 42 -6.864 -4.330 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.893 -5.251 4.248 1.00 0.00 H new ATOM 647 N VAL A 43 -5.459 -2.993 3.140 1.00 0.00 N ATOM 648 CA VAL A 43 -5.278 -1.799 2.270 1.00 0.00 C ATOM 649 C VAL A 43 -4.404 -2.149 1.067 1.00 0.00 C ATOM 650 O VAL A 43 -3.391 -2.809 1.191 1.00 0.00 O ATOM 651 CB VAL A 43 -4.587 -0.754 3.151 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.691 0.141 2.291 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.647 0.115 3.828 1.00 0.00 C ATOM 0 H VAL A 43 -4.596 -3.434 3.459 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.227 -1.432 1.878 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.982 -1.263 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.202 0.882 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.935 -0.469 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.297 0.648 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.159 0.860 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.246 0.617 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.293 -0.512 4.443 1.00 0.00 H new ATOM 663 N ILE A 44 -4.778 -1.691 -0.091 1.00 0.00 N ATOM 664 CA ILE A 44 -3.958 -1.975 -1.298 1.00 0.00 C ATOM 665 C ILE A 44 -3.366 -0.664 -1.813 1.00 0.00 C ATOM 666 O ILE A 44 -4.023 0.357 -1.834 1.00 0.00 O ATOM 667 CB ILE A 44 -4.910 -2.610 -2.324 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.427 -2.295 -3.745 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.330 -2.070 -2.138 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.820 -0.865 -4.123 1.00 0.00 C ATOM 0 H ILE A 44 -5.616 -1.132 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.127 -2.650 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.917 -3.689 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.345 -2.412 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.864 -3.001 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.993 -2.529 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.681 -2.307 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.329 -0.989 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.474 -0.648 -5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.904 -0.762 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.362 -0.165 -3.424 1.00 0.00 H new ATOM 682 N PHE A 45 -2.126 -0.676 -2.208 1.00 0.00 N ATOM 683 CA PHE A 45 -1.498 0.578 -2.693 1.00 0.00 C ATOM 684 C PHE A 45 -1.270 0.516 -4.203 1.00 0.00 C ATOM 685 O PHE A 45 -0.845 -0.489 -4.738 1.00 0.00 O ATOM 686 CB PHE A 45 -0.149 0.637 -1.976 1.00 0.00 C ATOM 687 CG PHE A 45 -0.343 0.981 -0.519 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.507 2.316 -0.130 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.347 -0.034 0.445 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.675 2.634 1.223 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.516 0.283 1.795 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.681 1.616 2.186 1.00 0.00 C ATOM 0 H PHE A 45 -1.523 -1.498 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.123 1.449 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.360 -0.323 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.490 1.382 -2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.504 3.100 -0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.219 -1.064 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.800 3.664 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.519 -0.501 2.537 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.813 1.860 3.230 1.00 0.00 H new ATOM 702 N LEU A 46 -1.526 1.591 -4.892 1.00 0.00 N ATOM 703 CA LEU A 46 -1.300 1.601 -6.360 1.00 0.00 C ATOM 704 C LEU A 46 -0.105 2.500 -6.677 1.00 0.00 C ATOM 705 O LEU A 46 -0.076 3.662 -6.317 1.00 0.00 O ATOM 706 CB LEU A 46 -2.581 2.175 -6.965 1.00 0.00 C ATOM 707 CG LEU A 46 -3.368 1.061 -7.659 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.423 0.225 -8.521 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.021 0.166 -6.604 1.00 0.00 C ATOM 0 H LEU A 46 -1.882 2.463 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.084 0.610 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.190 2.632 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.337 2.961 -7.680 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.139 1.502 -8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.986 -0.568 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.958 0.862 -9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.651 -0.216 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.582 -0.628 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.250 -0.274 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.697 0.761 -5.990 1.00 0.00 H new ATOM 721 N THR A 47 0.884 1.970 -7.336 1.00 0.00 N ATOM 722 CA THR A 47 2.085 2.791 -7.665 1.00 0.00 C ATOM 723 C THR A 47 1.685 3.988 -8.522 1.00 0.00 C ATOM 724 O THR A 47 0.556 4.431 -8.496 1.00 0.00 O ATOM 725 CB THR A 47 3.008 1.858 -8.455 1.00 0.00 C ATOM 726 OG1 THR A 47 2.481 1.667 -9.763 1.00 0.00 O ATOM 727 CG2 THR A 47 3.109 0.509 -7.741 1.00 0.00 C ATOM 0 H THR A 47 0.915 1.004 -7.662 1.00 0.00 H new ATOM 0 HA THR A 47 2.570 3.182 -6.771 1.00 0.00 H new ATOM 0 HB THR A 47 4.000 2.303 -8.524 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.144 1.207 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.766 -0.153 -8.305 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.515 0.657 -6.740 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.118 0.061 -7.668 1.00 0.00 H new ATOM 735 N LYS A 48 2.604 4.504 -9.288 1.00 0.00 N ATOM 736 CA LYS A 48 2.284 5.661 -10.169 1.00 0.00 C ATOM 737 C LYS A 48 2.378 5.208 -11.626 1.00 0.00 C ATOM 738 O LYS A 48 2.387 6.003 -12.543 1.00 0.00 O ATOM 739 CB LYS A 48 3.352 6.711 -9.857 1.00 0.00 C ATOM 740 CG LYS A 48 2.865 7.611 -8.720 1.00 0.00 C ATOM 741 CD LYS A 48 4.069 8.203 -7.985 1.00 0.00 C ATOM 742 CE LYS A 48 3.677 9.542 -7.357 1.00 0.00 C ATOM 743 NZ LYS A 48 4.779 10.474 -7.722 1.00 0.00 N ATOM 0 H LYS A 48 3.567 4.173 -9.342 1.00 0.00 H new ATOM 0 HA LYS A 48 1.282 6.059 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.285 6.223 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.560 7.309 -10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.239 8.410 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.249 7.038 -8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.412 7.514 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.898 8.343 -8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.719 9.893 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.574 9.456 -6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.583 11.416 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.677 10.117 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.848 10.541 -8.758 1.00 0.00 H new ATOM 757 N ARG A 49 2.452 3.921 -11.831 1.00 0.00 N ATOM 758 CA ARG A 49 2.552 3.377 -13.212 1.00 0.00 C ATOM 759 C ARG A 49 1.385 2.430 -13.494 1.00 0.00 C ATOM 760 O ARG A 49 0.442 2.774 -14.178 1.00 0.00 O ATOM 761 CB ARG A 49 3.877 2.616 -13.225 1.00 0.00 C ATOM 762 CG ARG A 49 5.003 3.553 -13.665 1.00 0.00 C ATOM 763 CD ARG A 49 6.313 2.769 -13.766 1.00 0.00 C ATOM 764 NE ARG A 49 6.105 1.816 -14.891 1.00 0.00 N ATOM 765 CZ ARG A 49 6.536 2.114 -16.087 1.00 0.00 C ATOM 766 NH1 ARG A 49 6.703 3.363 -16.428 1.00 0.00 N ATOM 767 NH2 ARG A 49 6.798 1.164 -16.941 1.00 0.00 N ATOM 0 H ARG A 49 2.447 3.218 -11.092 1.00 0.00 H new ATOM 0 HA ARG A 49 2.514 4.156 -13.974 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.089 2.218 -12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.813 1.765 -13.903 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.761 4.002 -14.628 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.110 4.370 -12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.156 3.432 -13.961 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.530 2.242 -12.837 1.00 0.00 H new ATOM 0 HE ARG A 49 5.626 0.931 -14.727 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.497 4.106 -15.760 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.040 3.596 -17.362 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.666 0.188 -16.675 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.135 1.397 -17.875 1.00 0.00 H new ATOM 781 N GLY A 50 1.445 1.237 -12.971 1.00 0.00 N ATOM 782 CA GLY A 50 0.342 0.262 -13.206 1.00 0.00 C ATOM 783 C GLY A 50 0.545 -0.970 -12.322 1.00 0.00 C ATOM 784 O GLY A 50 0.250 -2.082 -12.712 1.00 0.00 O ATOM 0 H GLY A 50 2.210 0.894 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.619 0.726 -12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.320 -0.031 -14.256 1.00 0.00 H new ATOM 788 N ARG A 51 1.046 -0.782 -11.131 1.00 0.00 N ATOM 789 CA ARG A 51 1.265 -1.943 -10.222 1.00 0.00 C ATOM 790 C ARG A 51 0.485 -1.744 -8.919 1.00 0.00 C ATOM 791 O ARG A 51 0.455 -0.665 -8.362 1.00 0.00 O ATOM 792 CB ARG A 51 2.771 -1.958 -9.952 1.00 0.00 C ATOM 793 CG ARG A 51 3.445 -2.973 -10.878 1.00 0.00 C ATOM 794 CD ARG A 51 4.773 -2.402 -11.382 1.00 0.00 C ATOM 795 NE ARG A 51 4.673 -2.452 -12.868 1.00 0.00 N ATOM 796 CZ ARG A 51 4.484 -3.594 -13.471 1.00 0.00 C ATOM 797 NH1 ARG A 51 5.014 -4.684 -12.987 1.00 0.00 N ATOM 798 NH2 ARG A 51 3.765 -3.645 -14.559 1.00 0.00 N ATOM 0 H ARG A 51 1.313 0.125 -10.749 1.00 0.00 H new ATOM 0 HA ARG A 51 0.922 -2.882 -10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.191 -0.965 -10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.962 -2.217 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.618 -3.908 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.792 -3.202 -11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.923 -1.381 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.618 -2.990 -11.023 1.00 0.00 H new ATOM 0 HE ARG A 51 4.752 -1.594 -13.414 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.576 -4.644 -12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.866 -5.576 -13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.351 -2.793 -14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.617 -4.537 -15.031 1.00 0.00 H new ATOM 812 N GLN A 52 -0.155 -2.774 -8.434 1.00 0.00 N ATOM 813 CA GLN A 52 -0.941 -2.641 -7.178 1.00 0.00 C ATOM 814 C GLN A 52 -0.256 -3.397 -6.037 1.00 0.00 C ATOM 815 O GLN A 52 0.501 -4.322 -6.255 1.00 0.00 O ATOM 816 CB GLN A 52 -2.293 -3.275 -7.497 1.00 0.00 C ATOM 817 CG GLN A 52 -2.630 -3.073 -8.977 1.00 0.00 C ATOM 818 CD GLN A 52 -2.178 -4.299 -9.775 1.00 0.00 C ATOM 819 OE1 GLN A 52 -1.042 -4.715 -9.677 1.00 0.00 O ATOM 820 NE2 GLN A 52 -3.027 -4.897 -10.565 1.00 0.00 N ATOM 0 H GLN A 52 -0.166 -3.703 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.035 -1.603 -6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.269 -4.339 -7.263 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.069 -2.829 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.702 -2.921 -9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.136 -2.178 -9.355 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.981 -4.547 -10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.736 -5.715 -11.101 1.00 0.00 H new ATOM 829 N VAL A 53 -0.518 -3.007 -4.819 1.00 0.00 N ATOM 830 CA VAL A 53 0.108 -3.690 -3.658 1.00 0.00 C ATOM 831 C VAL A 53 -0.925 -3.863 -2.537 1.00 0.00 C ATOM 832 O VAL A 53 -1.953 -3.220 -2.530 1.00 0.00 O ATOM 833 CB VAL A 53 1.233 -2.750 -3.224 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.450 -2.873 -1.719 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.522 -3.127 -3.959 1.00 0.00 C ATOM 0 H VAL A 53 -1.144 -2.238 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 53 0.480 -4.686 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 53 0.962 -1.723 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.252 -2.202 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.532 -2.605 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.721 -3.900 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.325 -2.458 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.792 -4.155 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.367 -3.037 -5.034 1.00 0.00 H new ATOM 845 N CYS A 54 -0.662 -4.725 -1.591 1.00 0.00 N ATOM 846 CA CYS A 54 -1.632 -4.929 -0.478 1.00 0.00 C ATOM 847 C CYS A 54 -0.892 -5.041 0.855 1.00 0.00 C ATOM 848 O CYS A 54 -0.130 -5.959 1.072 1.00 0.00 O ATOM 849 CB CYS A 54 -2.330 -6.246 -0.805 1.00 0.00 C ATOM 850 SG CYS A 54 -4.028 -6.193 -0.184 1.00 0.00 S ATOM 0 H CYS A 54 0.182 -5.296 -1.542 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.334 -4.100 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.330 -6.413 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.791 -7.079 -0.353 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.627 -7.313 -0.463 1.00 0.00 H new ATOM 855 N ALA A 55 -1.107 -4.115 1.751 1.00 0.00 N ATOM 856 CA ALA A 55 -0.405 -4.186 3.062 1.00 0.00 C ATOM 857 C ALA A 55 -1.374 -3.879 4.206 1.00 0.00 C ATOM 858 O ALA A 55 -2.413 -3.275 4.011 1.00 0.00 O ATOM 859 CB ALA A 55 0.685 -3.119 2.980 1.00 0.00 C ATOM 0 H ALA A 55 -1.734 -3.319 1.632 1.00 0.00 H new ATOM 0 HA ALA A 55 0.004 -5.177 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.252 -3.105 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.355 -3.346 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.227 -2.143 2.820 1.00 0.00 H new ATOM 865 N ASP A 56 -1.041 -4.288 5.400 1.00 0.00 N ATOM 866 CA ASP A 56 -1.937 -4.018 6.559 1.00 0.00 C ATOM 867 C ASP A 56 -1.736 -2.581 7.048 1.00 0.00 C ATOM 868 O ASP A 56 -0.624 -2.123 7.214 1.00 0.00 O ATOM 869 CB ASP A 56 -1.506 -5.015 7.635 1.00 0.00 C ATOM 870 CG ASP A 56 -2.609 -5.137 8.688 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.732 -4.767 8.387 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.312 -5.597 9.778 1.00 0.00 O ATOM 0 H ASP A 56 -0.186 -4.798 5.623 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.991 -4.127 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.308 -5.988 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.578 -4.684 8.101 1.00 0.00 H new ATOM 877 N LYS A 57 -2.803 -1.866 7.275 1.00 0.00 N ATOM 878 CA LYS A 57 -2.667 -0.459 7.748 1.00 0.00 C ATOM 879 C LYS A 57 -1.936 -0.418 9.093 1.00 0.00 C ATOM 880 O LYS A 57 -1.458 0.616 9.517 1.00 0.00 O ATOM 881 CB LYS A 57 -4.100 0.049 7.904 1.00 0.00 C ATOM 882 CG LYS A 57 -4.643 0.476 6.540 1.00 0.00 C ATOM 883 CD LYS A 57 -5.519 1.719 6.706 1.00 0.00 C ATOM 884 CE LYS A 57 -6.969 1.293 6.950 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.787 2.222 6.121 1.00 0.00 N ATOM 0 H LYS A 57 -3.761 -2.194 7.154 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.090 0.153 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.730 -0.733 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.125 0.890 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.819 0.687 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.223 -0.334 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.160 2.321 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.457 2.342 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.131 0.256 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.231 1.370 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.761 2.246 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.378 3.177 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.794 1.892 5.135 1.00 0.00 H new ATOM 899 N SER A 58 -1.846 -1.531 9.768 1.00 0.00 N ATOM 900 CA SER A 58 -1.148 -1.549 11.085 1.00 0.00 C ATOM 901 C SER A 58 0.364 -1.436 10.883 1.00 0.00 C ATOM 902 O SER A 58 1.127 -1.413 11.830 1.00 0.00 O ATOM 903 CB SER A 58 -1.509 -2.895 11.709 1.00 0.00 C ATOM 904 OG SER A 58 -0.549 -3.867 11.316 1.00 0.00 O ATOM 0 H SER A 58 -2.225 -2.428 9.465 1.00 0.00 H new ATOM 0 HA SER A 58 -1.445 -0.715 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.534 -2.810 12.795 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.505 -3.201 11.390 1.00 0.00 H new ATOM 0 HG SER A 58 -0.984 -4.555 10.770 1.00 0.00 H new ATOM 910 N LYS A 59 0.801 -1.362 9.659 1.00 0.00 N ATOM 911 CA LYS A 59 2.262 -1.247 9.394 1.00 0.00 C ATOM 912 C LYS A 59 2.695 0.216 9.462 1.00 0.00 C ATOM 913 O LYS A 59 2.209 1.055 8.730 1.00 0.00 O ATOM 914 CB LYS A 59 2.444 -1.796 7.982 1.00 0.00 C ATOM 915 CG LYS A 59 2.804 -3.281 8.050 1.00 0.00 C ATOM 916 CD LYS A 59 4.229 -3.437 8.584 1.00 0.00 C ATOM 917 CE LYS A 59 4.178 -3.870 10.050 1.00 0.00 C ATOM 918 NZ LYS A 59 5.293 -3.135 10.708 1.00 0.00 N ATOM 0 H LYS A 59 0.209 -1.376 8.828 1.00 0.00 H new ATOM 0 HA LYS A 59 2.863 -1.788 10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.528 -1.660 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.229 -1.245 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.102 -3.807 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.724 -3.731 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.771 -4.176 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.769 -2.495 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.219 -3.619 10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.304 -4.948 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.322 -3.381 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.194 -3.399 10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.142 -2.111 10.605 1.00 0.00 H new ATOM 932 N ASP A 60 3.607 0.525 10.336 1.00 0.00 N ATOM 933 CA ASP A 60 4.079 1.931 10.461 1.00 0.00 C ATOM 934 C ASP A 60 4.360 2.527 9.077 1.00 0.00 C ATOM 935 O ASP A 60 3.806 3.543 8.706 1.00 0.00 O ATOM 936 CB ASP A 60 5.366 1.835 11.277 1.00 0.00 C ATOM 937 CG ASP A 60 5.037 1.957 12.767 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.526 2.995 13.156 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.301 1.013 13.491 1.00 0.00 O ATOM 0 H ASP A 60 4.049 -0.138 10.973 1.00 0.00 H new ATOM 0 HA ASP A 60 3.339 2.577 10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.864 0.885 11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.057 2.624 10.981 1.00 0.00 H new ATOM 944 N TRP A 61 5.215 1.906 8.311 1.00 0.00 N ATOM 945 CA TRP A 61 5.526 2.447 6.956 1.00 0.00 C ATOM 946 C TRP A 61 4.239 2.606 6.145 1.00 0.00 C ATOM 947 O TRP A 61 4.060 3.571 5.425 1.00 0.00 O ATOM 948 CB TRP A 61 6.453 1.412 6.317 1.00 0.00 C ATOM 949 CG TRP A 61 5.676 0.215 5.869 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.368 -0.840 6.648 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.118 -0.073 4.554 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.666 -1.766 5.897 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.485 -1.337 4.597 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.101 0.631 3.339 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.860 -1.882 3.473 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.470 0.084 2.209 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.852 -1.171 2.277 1.00 0.00 C ATOM 0 H TRP A 61 5.710 1.051 8.563 1.00 0.00 H new ATOM 0 HA TRP A 61 5.993 3.431 6.998 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.971 1.855 5.466 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.217 1.109 7.033 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.627 -0.946 7.691 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.324 -2.656 6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.576 1.599 3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.385 -2.850 3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.461 0.636 1.281 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.371 -1.586 1.404 1.00 0.00 H new ATOM 968 N VAL A 62 3.338 1.677 6.266 1.00 0.00 N ATOM 969 CA VAL A 62 2.062 1.780 5.516 1.00 0.00 C ATOM 970 C VAL A 62 1.260 2.983 6.018 1.00 0.00 C ATOM 971 O VAL A 62 0.856 3.834 5.253 1.00 0.00 O ATOM 972 CB VAL A 62 1.341 0.468 5.819 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.161 0.695 5.799 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.702 -0.570 4.758 1.00 0.00 C ATOM 0 H VAL A 62 3.431 0.849 6.854 1.00 0.00 H new ATOM 0 HA VAL A 62 2.203 1.928 4.445 1.00 0.00 H new ATOM 0 HB VAL A 62 1.645 0.111 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.674 -0.242 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.427 1.436 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.462 1.054 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.187 -1.506 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.398 -0.208 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.779 -0.738 4.765 1.00 0.00 H new ATOM 984 N LYS A 63 1.031 3.069 7.298 1.00 0.00 N ATOM 985 CA LYS A 63 0.268 4.221 7.832 1.00 0.00 C ATOM 986 C LYS A 63 0.766 5.511 7.181 1.00 0.00 C ATOM 987 O LYS A 63 -0.005 6.293 6.663 1.00 0.00 O ATOM 988 CB LYS A 63 0.561 4.213 9.329 1.00 0.00 C ATOM 989 CG LYS A 63 -0.640 4.775 10.079 1.00 0.00 C ATOM 990 CD LYS A 63 -0.538 6.300 10.142 1.00 0.00 C ATOM 991 CE LYS A 63 -1.850 6.922 9.656 1.00 0.00 C ATOM 992 NZ LYS A 63 -2.431 7.580 10.858 1.00 0.00 N ATOM 0 H LYS A 63 1.340 2.390 7.994 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.801 4.158 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.772 3.198 9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.448 4.809 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.563 4.483 9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.678 4.361 11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.329 6.619 11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.291 6.645 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.673 7.643 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.523 6.163 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.441 7.344 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.937 7.246 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.321 8.611 10.777 1.00 0.00 H new ATOM 1006 N LYS A 64 2.051 5.731 7.184 1.00 0.00 N ATOM 1007 CA LYS A 64 2.583 6.962 6.540 1.00 0.00 C ATOM 1008 C LYS A 64 2.099 7.008 5.093 1.00 0.00 C ATOM 1009 O LYS A 64 1.759 8.052 4.572 1.00 0.00 O ATOM 1010 CB LYS A 64 4.106 6.824 6.599 1.00 0.00 C ATOM 1011 CG LYS A 64 4.743 7.715 5.531 1.00 0.00 C ATOM 1012 CD LYS A 64 6.140 8.139 5.986 1.00 0.00 C ATOM 1013 CE LYS A 64 7.091 8.139 4.788 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.090 9.201 5.092 1.00 0.00 N ATOM 0 H LYS A 64 2.750 5.117 7.601 1.00 0.00 H new ATOM 0 HA LYS A 64 2.253 7.877 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.469 7.107 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.394 5.785 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.805 7.178 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.123 8.595 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.102 9.132 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.506 7.457 6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.571 7.168 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.559 8.351 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.779 9.263 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.604 10.115 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.586 8.968 5.976 1.00 0.00 H new ATOM 1028 N LEU A 65 2.055 5.876 4.444 1.00 0.00 N ATOM 1029 CA LEU A 65 1.580 5.848 3.035 1.00 0.00 C ATOM 1030 C LEU A 65 0.124 6.307 2.974 1.00 0.00 C ATOM 1031 O LEU A 65 -0.199 7.282 2.335 1.00 0.00 O ATOM 1032 CB LEU A 65 1.703 4.388 2.597 1.00 0.00 C ATOM 1033 CG LEU A 65 3.137 4.117 2.149 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.491 2.660 2.435 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.261 4.376 0.648 1.00 0.00 C ATOM 0 H LEU A 65 2.327 4.972 4.830 1.00 0.00 H new ATOM 0 HA LEU A 65 2.156 6.510 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.435 3.725 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.009 4.181 1.782 1.00 0.00 H new ATOM 0 HG LEU A 65 3.815 4.775 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.515 2.465 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.401 2.467 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.810 2.006 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.285 4.182 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.582 3.717 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.005 5.414 0.435 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.383 7.930 4.876 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.453 9.326 5.395 1.00 0.00 C ATOM 1066 C GLN A 67 -1.146 10.330 4.279 1.00 0.00 C ATOM 1067 O GLN A 67 -1.805 11.341 4.141 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.382 9.394 6.486 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.755 10.473 7.505 1.00 0.00 C ATOM 1070 CD GLN A 67 -0.760 9.868 8.910 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -1.722 10.005 9.640 1.00 0.00 O ATOM 1072 NE2 GLN A 67 0.282 9.201 9.323 1.00 0.00 N ATOM 0 HA GLN A 67 -2.444 9.574 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.291 8.427 6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.589 9.618 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.043 11.297 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.737 10.885 7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.089 9.086 8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.289 8.794 10.258 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.146 10.061 3.482 1.00 0.00 N ATOM 1082 CA GLN A 68 0.204 11.003 2.377 1.00 0.00 C ATOM 1083 C GLN A 68 -0.560 10.639 1.101 1.00 0.00 C ATOM 1084 O GLN A 68 -0.809 11.471 0.252 1.00 0.00 O ATOM 1085 CB GLN A 68 1.705 10.811 2.163 1.00 0.00 C ATOM 1086 CG GLN A 68 2.478 11.785 3.056 1.00 0.00 C ATOM 1087 CD GLN A 68 3.234 12.787 2.181 1.00 0.00 C ATOM 1088 OE1 GLN A 68 3.160 12.729 0.969 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.964 13.709 2.746 1.00 0.00 N ATOM 0 H GLN A 68 0.443 9.231 3.548 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.054 12.034 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.988 9.785 2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.958 10.981 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.791 12.311 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.177 11.238 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.026 13.758 3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.472 14.381 2.171 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.925 9.397 0.963 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.663 8.959 -0.253 1.00 0.00 C ATOM 1100 C LEU A 69 -3.172 9.105 -0.043 1.00 0.00 C ATOM 1101 O LEU A 69 -3.659 9.028 1.067 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.297 7.484 -0.423 1.00 0.00 C ATOM 1103 CG LEU A 69 0.201 7.275 -0.195 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.449 5.831 0.237 1.00 0.00 C ATOM 1105 CD2 LEU A 69 0.957 7.539 -1.492 1.00 0.00 C ATOM 0 H LEU A 69 -0.743 8.661 1.645 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.403 9.555 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.866 6.878 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.569 7.149 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 69 0.547 7.960 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.516 5.678 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.092 5.630 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.101 5.153 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.024 7.390 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.609 6.851 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.780 8.565 -1.814 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.861 9.308 -1.132 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.330 9.462 -1.093 1.00 0.00 C ATOM 1119 C PRO A 70 -6.014 8.091 -1.128 1.00 0.00 C ATOM 1120 O PRO A 70 -5.801 7.306 -2.030 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.629 10.246 -2.365 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.494 9.946 -3.304 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.336 9.415 -2.492 1.00 0.00 C ATOM 0 HA PRO A 70 -5.689 9.957 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.584 9.944 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.695 11.314 -2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.802 9.214 -4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.199 10.846 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.000 8.447 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.480 10.088 -2.535 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.834 7.796 -0.155 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.530 6.474 -0.141 1.00 0.00 C ATOM 1133 C VAL A 71 -8.408 6.325 -1.387 1.00 0.00 C ATOM 1134 O VAL A 71 -9.614 6.461 -1.327 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.393 6.487 1.122 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.098 7.838 1.240 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.442 5.375 1.033 1.00 0.00 C ATOM 0 H VAL A 71 -7.052 8.411 0.629 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.827 5.641 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.762 6.325 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.714 7.850 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.354 8.633 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.730 7.996 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.058 5.383 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.073 5.539 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.943 4.410 0.944 1.00 0.00 H new ATOM 1147 N THR A 72 -7.811 6.045 -2.512 1.00 0.00 N ATOM 1148 CA THR A 72 -8.606 5.883 -3.764 1.00 0.00 C ATOM 1149 C THR A 72 -9.895 5.107 -3.477 1.00 0.00 C ATOM 1150 O THR A 72 -10.037 4.479 -2.446 1.00 0.00 O ATOM 1151 CB THR A 72 -7.700 5.087 -4.707 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.392 5.639 -4.683 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.255 5.149 -6.131 1.00 0.00 C ATOM 0 H THR A 72 -6.804 5.921 -2.620 1.00 0.00 H new ATOM 0 HA THR A 72 -8.901 6.841 -4.192 1.00 0.00 H new ATOM 0 HB THR A 72 -7.663 4.048 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.797 5.048 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.607 4.581 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.258 4.723 -6.149 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.296 6.187 -6.461 1.00 0.00 H new