USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 786 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 94 CYS SG : rot -110:sc= -1.35! USER MOD Set 1.2: A 101 LYS NZ :NH3+ -150:sc= -6.31! (180deg=-7.32!) USER MOD Set 2.1: A 88 SER OG : rot -36:sc= 0.0894 USER MOD Set 2.2: A 112 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 16 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.21) USER MOD Single : A 19 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.00062) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 150:sc= 0 USER MOD Single : A 30 THR OG1 : rot 43:sc= -0.105! USER MOD Single : A 37 ASN : amide:sc= -0.0969 X(o=-0.097,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 42 LYS NZ :NH3+ 126:sc= -0.0518 (180deg=-0.475) USER MOD Single : A 47 ASN : amide:sc= -2.41! C(o=-2.4!,f=-2.7!) USER MOD Single : A 48 SER OG : rot 150:sc= -1.24 USER MOD Single : A 53 TYR OH : rot 130:sc= -0.196 USER MOD Single : A 57 MET CE :methyl 168:sc= -1.33 (180deg=-1.49) USER MOD Single : A 58 SER OG : rot 71:sc= 0.154 USER MOD Single : A 60 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.24) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -53:sc= 0.623! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= -0.0465 (180deg=-0.153) USER MOD Single : A 89 TYR OH : rot 80:sc= 0.811 USER MOD Single : A 90 GLN : amide:sc= -2.05 X(o=-2,f=-2.3) USER MOD Single : A 97 ASN : amide:sc= -9.96! C(o=-10!,f=-20!) USER MOD Single : A 103 GLN :FLIP amide:sc= -3.02! C(o=-3.6!,f=-3!) USER MOD Single : A 105 SER OG : rot 170:sc= -1.05 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 120:sc= 0.0195 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 18.035 -14.803 0.912 1.00 0.00 N ATOM 212 CA GLN A 16 16.703 -15.289 0.596 1.00 0.00 C ATOM 213 C GLN A 16 15.764 -14.117 0.305 1.00 0.00 C ATOM 214 O GLN A 16 15.976 -13.010 0.800 1.00 0.00 O ATOM 215 CB GLN A 16 16.156 -16.163 1.726 1.00 0.00 C ATOM 216 CG GLN A 16 14.960 -16.990 1.250 1.00 0.00 C ATOM 217 CD GLN A 16 15.131 -18.465 1.620 1.00 0.00 C ATOM 218 OE1 GLN A 16 14.226 -19.116 2.115 1.00 0.00 O ATOM 219 NE2 GLN A 16 16.339 -18.953 1.352 1.00 0.00 N ATOM 0 HA GLN A 16 16.767 -15.908 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.940 -16.827 2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.857 -15.534 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.045 -16.603 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.853 -16.892 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.051 -18.352 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.553 -19.928 1.562 1.00 0.00 H new ATOM 228 N LEU A 17 14.747 -14.398 -0.495 1.00 0.00 N ATOM 229 CA LEU A 17 13.775 -13.380 -0.857 1.00 0.00 C ATOM 230 C LEU A 17 12.931 -13.028 0.369 1.00 0.00 C ATOM 231 O LEU A 17 12.695 -13.876 1.229 1.00 0.00 O ATOM 232 CB LEU A 17 12.949 -13.833 -2.063 1.00 0.00 C ATOM 233 CG LEU A 17 13.669 -13.817 -3.413 1.00 0.00 C ATOM 234 CD1 LEU A 17 12.760 -14.346 -4.525 1.00 0.00 C ATOM 235 CD2 LEU A 17 14.208 -12.421 -3.730 1.00 0.00 C ATOM 0 H LEU A 17 14.574 -15.317 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 17 14.279 -12.466 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.594 -14.846 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.068 -13.195 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 17 14.526 -14.487 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.296 -14.324 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.466 -15.371 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.870 -13.720 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.715 -12.437 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.381 -11.711 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.912 -12.118 -2.955 1.00 0.00 H new ATOM 247 N PRO A 18 12.488 -11.743 0.413 1.00 0.00 N ATOM 248 CA PRO A 18 11.676 -11.268 1.520 1.00 0.00 C ATOM 249 C PRO A 18 10.243 -11.795 1.414 1.00 0.00 C ATOM 250 O PRO A 18 9.914 -12.526 0.481 1.00 0.00 O ATOM 251 CB PRO A 18 11.758 -9.752 1.447 1.00 0.00 C ATOM 252 CG PRO A 18 12.227 -9.428 0.037 1.00 0.00 C ATOM 253 CD PRO A 18 12.748 -10.712 -0.587 1.00 0.00 C ATOM 0 HA PRO A 18 12.031 -11.626 2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.788 -9.298 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.454 -9.362 2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.406 -9.022 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.010 -8.670 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.237 -10.932 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.812 -10.639 -0.813 1.00 0.00 H new ATOM 261 N HIS A 19 9.429 -11.403 2.383 1.00 0.00 N ATOM 262 CA HIS A 19 8.040 -11.826 2.410 1.00 0.00 C ATOM 263 C HIS A 19 7.131 -10.623 2.150 1.00 0.00 C ATOM 264 O HIS A 19 7.494 -9.489 2.458 1.00 0.00 O ATOM 265 CB HIS A 19 7.715 -12.541 3.723 1.00 0.00 C ATOM 266 CG HIS A 19 8.176 -13.978 3.771 1.00 0.00 C ATOM 267 ND1 HIS A 19 7.888 -14.824 4.828 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.907 -14.710 2.881 1.00 0.00 C ATOM 269 CE1 HIS A 19 8.426 -16.008 4.575 1.00 0.00 C ATOM 270 NE2 HIS A 19 9.058 -15.935 3.368 1.00 0.00 N ATOM 0 H HIS A 19 9.705 -10.797 3.155 1.00 0.00 H new ATOM 0 HA HIS A 19 7.862 -12.550 1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.176 -11.995 4.546 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.637 -12.510 3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.297 -14.353 1.939 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.374 -16.878 5.212 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.563 -16.696 2.915 1.00 0.00 H new ATOM 278 N ALA A 20 5.968 -10.912 1.585 1.00 0.00 N ATOM 279 CA ALA A 20 5.005 -9.867 1.279 1.00 0.00 C ATOM 280 C ALA A 20 4.538 -9.213 2.582 1.00 0.00 C ATOM 281 O ALA A 20 4.702 -9.783 3.660 1.00 0.00 O ATOM 282 CB ALA A 20 3.845 -10.461 0.477 1.00 0.00 C ATOM 0 H ALA A 20 5.671 -11.854 1.331 1.00 0.00 H new ATOM 0 HA ALA A 20 5.462 -9.091 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.123 -9.678 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.225 -10.887 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.360 -11.242 1.063 1.00 0.00 H new ATOM 288 N PRO A 21 3.952 -7.995 2.435 1.00 0.00 N ATOM 289 CA PRO A 21 3.460 -7.258 3.586 1.00 0.00 C ATOM 290 C PRO A 21 2.155 -7.862 4.108 1.00 0.00 C ATOM 291 O PRO A 21 1.164 -7.929 3.382 1.00 0.00 O ATOM 292 CB PRO A 21 3.299 -5.827 3.098 1.00 0.00 C ATOM 293 CG PRO A 21 3.260 -5.907 1.580 1.00 0.00 C ATOM 294 CD PRO A 21 3.742 -7.290 1.174 1.00 0.00 C ATOM 0 HA PRO A 21 4.142 -7.301 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.385 -5.381 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.127 -5.204 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.248 -5.733 1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.895 -5.137 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.005 -7.800 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.663 -7.234 0.594 1.00 0.00 H new ATOM 302 N GLU A 22 2.197 -8.286 5.363 1.00 0.00 N ATOM 303 CA GLU A 22 1.030 -8.882 5.990 1.00 0.00 C ATOM 304 C GLU A 22 0.121 -7.793 6.565 1.00 0.00 C ATOM 305 O GLU A 22 0.486 -6.618 6.578 1.00 0.00 O ATOM 306 CB GLU A 22 1.440 -9.881 7.074 1.00 0.00 C ATOM 307 CG GLU A 22 1.428 -11.312 6.533 1.00 0.00 C ATOM 308 CD GLU A 22 1.585 -12.328 7.666 1.00 0.00 C ATOM 309 OE1 GLU A 22 0.638 -12.426 8.476 1.00 0.00 O ATOM 310 OE2 GLU A 22 2.649 -12.984 7.696 1.00 0.00 O ATOM 0 H GLU A 22 3.021 -8.228 5.962 1.00 0.00 H new ATOM 0 HA GLU A 22 0.473 -9.429 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.436 -9.636 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.759 -9.803 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.494 -11.496 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.235 -11.439 5.812 1.00 0.00 H new ATOM 317 N HIS A 23 -1.044 -8.222 7.026 1.00 0.00 N ATOM 318 CA HIS A 23 -2.008 -7.298 7.600 1.00 0.00 C ATOM 319 C HIS A 23 -2.084 -6.035 6.739 1.00 0.00 C ATOM 320 O HIS A 23 -1.950 -4.924 7.248 1.00 0.00 O ATOM 321 CB HIS A 23 -1.669 -6.999 9.062 1.00 0.00 C ATOM 322 CG HIS A 23 -2.372 -7.897 10.051 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.526 -7.521 10.717 1.00 0.00 N ATOM 324 CD2 HIS A 23 -2.074 -9.157 10.480 1.00 0.00 C ATOM 325 CE1 HIS A 23 -3.896 -8.517 11.508 1.00 0.00 C ATOM 326 NE2 HIS A 23 -2.995 -9.530 11.360 1.00 0.00 N ATOM 0 H HIS A 23 -1.343 -9.197 7.014 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.998 -7.754 7.603 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.592 -7.095 9.202 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.928 -5.963 9.280 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.231 -9.751 10.158 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.760 -8.525 12.156 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.024 -10.427 11.846 1.00 0.00 H new ATOM 334 N PRO A 24 -2.307 -6.255 5.415 1.00 0.00 N ATOM 335 CA PRO A 24 -2.403 -5.149 4.479 1.00 0.00 C ATOM 336 C PRO A 24 -3.744 -4.426 4.619 1.00 0.00 C ATOM 337 O PRO A 24 -4.731 -4.815 3.996 1.00 0.00 O ATOM 338 CB PRO A 24 -2.206 -5.775 3.108 1.00 0.00 C ATOM 339 CG PRO A 24 -2.471 -7.261 3.287 1.00 0.00 C ATOM 340 CD PRO A 24 -2.471 -7.558 4.778 1.00 0.00 C ATOM 0 HA PRO A 24 -1.654 -4.378 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.890 -5.341 2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.195 -5.600 2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.428 -7.534 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.706 -7.849 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.401 -8.036 5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.660 -8.235 5.047 1.00 0.00 H new ATOM 348 N VAL A 25 -3.737 -3.388 5.442 1.00 0.00 N ATOM 349 CA VAL A 25 -4.941 -2.607 5.672 1.00 0.00 C ATOM 350 C VAL A 25 -4.911 -1.358 4.789 1.00 0.00 C ATOM 351 O VAL A 25 -3.859 -0.749 4.605 1.00 0.00 O ATOM 352 CB VAL A 25 -5.078 -2.283 7.161 1.00 0.00 C ATOM 353 CG1 VAL A 25 -4.115 -3.129 7.997 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.863 -0.791 7.419 1.00 0.00 C ATOM 0 H VAL A 25 -2.917 -3.069 5.958 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.826 -3.180 5.395 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.094 -2.533 7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.233 -2.879 9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.336 -4.186 7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.090 -2.925 7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.966 -0.588 8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.864 -0.505 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.606 -0.215 6.866 1.00 0.00 H new ATOM 364 N ALA A 26 -6.079 -1.015 4.265 1.00 0.00 N ATOM 365 CA ALA A 26 -6.200 0.150 3.405 1.00 0.00 C ATOM 366 C ALA A 26 -7.495 0.893 3.739 1.00 0.00 C ATOM 367 O ALA A 26 -8.581 0.454 3.364 1.00 0.00 O ATOM 368 CB ALA A 26 -6.139 -0.287 1.941 1.00 0.00 C ATOM 0 H ALA A 26 -6.950 -1.523 4.420 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.372 0.839 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.230 0.587 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.187 -0.783 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.956 -0.978 1.733 1.00 0.00 H new ATOM 374 N THR A 27 -7.338 2.006 4.441 1.00 0.00 N ATOM 375 CA THR A 27 -8.482 2.814 4.829 1.00 0.00 C ATOM 376 C THR A 27 -8.238 4.284 4.484 1.00 0.00 C ATOM 377 O THR A 27 -7.093 4.711 4.342 1.00 0.00 O ATOM 378 CB THR A 27 -8.746 2.575 6.317 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.463 2.260 6.851 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.574 1.313 6.570 1.00 0.00 C ATOM 0 H THR A 27 -6.436 2.367 4.751 1.00 0.00 H new ATOM 0 HA THR A 27 -9.376 2.527 4.275 1.00 0.00 H new ATOM 0 HB THR A 27 -9.262 3.438 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.541 2.092 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.732 1.190 7.641 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.538 1.404 6.069 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.042 0.445 6.180 1.00 0.00 H new ATOM 388 N LEU A 28 -9.334 5.018 4.358 1.00 0.00 N ATOM 389 CA LEU A 28 -9.254 6.432 4.032 1.00 0.00 C ATOM 390 C LEU A 28 -8.370 7.139 5.061 1.00 0.00 C ATOM 391 O LEU A 28 -7.976 6.542 6.062 1.00 0.00 O ATOM 392 CB LEU A 28 -10.655 7.034 3.908 1.00 0.00 C ATOM 393 CG LEU A 28 -11.160 7.268 2.483 1.00 0.00 C ATOM 394 CD1 LEU A 28 -12.560 7.886 2.492 1.00 0.00 C ATOM 395 CD2 LEU A 28 -10.167 8.110 1.680 1.00 0.00 C ATOM 0 H LEU A 28 -10.282 4.660 4.476 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.785 6.572 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.358 6.376 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.668 7.986 4.438 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.238 6.301 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.895 8.042 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.251 7.214 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.532 8.842 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.551 8.261 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.033 9.076 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.209 7.593 1.630 1.00 0.00 H new ATOM 407 N SER A 29 -8.084 8.402 4.780 1.00 0.00 N ATOM 408 CA SER A 29 -7.254 9.197 5.669 1.00 0.00 C ATOM 409 C SER A 29 -8.117 9.835 6.759 1.00 0.00 C ATOM 410 O SER A 29 -7.606 10.243 7.801 1.00 0.00 O ATOM 411 CB SER A 29 -6.493 10.275 4.895 1.00 0.00 C ATOM 412 OG SER A 29 -5.364 10.756 5.619 1.00 0.00 O ATOM 0 H SER A 29 -8.412 8.894 3.949 1.00 0.00 H new ATOM 0 HA SER A 29 -6.522 8.537 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.164 9.870 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.164 11.106 4.676 1.00 0.00 H new ATOM 0 HG SER A 29 -4.668 11.038 4.990 1.00 0.00 H new ATOM 418 N THR A 30 -9.410 9.902 6.482 1.00 0.00 N ATOM 419 CA THR A 30 -10.349 10.484 7.426 1.00 0.00 C ATOM 420 C THR A 30 -9.797 11.796 7.988 1.00 0.00 C ATOM 421 O THR A 30 -10.163 12.207 9.087 1.00 0.00 O ATOM 422 CB THR A 30 -10.646 9.439 8.503 1.00 0.00 C ATOM 423 OG1 THR A 30 -9.358 8.991 8.916 1.00 0.00 O ATOM 424 CG2 THR A 30 -11.312 8.184 7.934 1.00 0.00 C ATOM 0 H THR A 30 -9.830 9.563 5.617 1.00 0.00 H new ATOM 0 HA THR A 30 -11.288 10.746 6.939 1.00 0.00 H new ATOM 0 HB THR A 30 -11.290 9.877 9.266 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.758 9.760 9.008 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.501 7.475 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.256 8.456 7.461 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.654 7.726 7.195 1.00 0.00 H new ATOM 432 N VAL A 31 -8.924 12.415 7.207 1.00 0.00 N ATOM 433 CA VAL A 31 -8.317 13.672 7.613 1.00 0.00 C ATOM 434 C VAL A 31 -7.863 14.439 6.370 1.00 0.00 C ATOM 435 O VAL A 31 -8.198 15.611 6.202 1.00 0.00 O ATOM 436 CB VAL A 31 -7.179 13.408 8.601 1.00 0.00 C ATOM 437 CG1 VAL A 31 -5.840 13.884 8.035 1.00 0.00 C ATOM 438 CG2 VAL A 31 -7.466 14.063 9.954 1.00 0.00 C ATOM 0 H VAL A 31 -8.622 12.070 6.296 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.043 14.297 8.133 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.113 12.331 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.048 13.685 8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.627 13.352 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.889 14.955 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.642 13.860 10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.572 15.140 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.389 13.656 10.367 1.00 0.00 H new ATOM 448 N GLU A 32 -7.108 13.747 5.529 1.00 0.00 N ATOM 449 CA GLU A 32 -6.605 14.349 4.306 1.00 0.00 C ATOM 450 C GLU A 32 -7.499 13.972 3.123 1.00 0.00 C ATOM 451 O GLU A 32 -7.716 12.791 2.856 1.00 0.00 O ATOM 452 CB GLU A 32 -5.154 13.938 4.050 1.00 0.00 C ATOM 453 CG GLU A 32 -4.253 15.167 3.907 1.00 0.00 C ATOM 454 CD GLU A 32 -4.662 16.008 2.696 1.00 0.00 C ATOM 455 OE1 GLU A 32 -4.173 15.687 1.591 1.00 0.00 O ATOM 456 OE2 GLU A 32 -5.453 16.954 2.902 1.00 0.00 O ATOM 0 H GLU A 32 -6.833 12.775 5.671 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.626 15.433 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.798 13.315 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.098 13.334 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.311 15.773 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.215 14.851 3.801 1.00 0.00 H new ATOM 463 N ARG A 33 -7.993 14.998 2.445 1.00 0.00 N ATOM 464 CA ARG A 33 -8.858 14.789 1.296 1.00 0.00 C ATOM 465 C ARG A 33 -8.115 14.015 0.206 1.00 0.00 C ATOM 466 O ARG A 33 -6.948 14.289 -0.070 1.00 0.00 O ATOM 467 CB ARG A 33 -9.344 16.122 0.724 1.00 0.00 C ATOM 468 CG ARG A 33 -10.211 16.871 1.738 1.00 0.00 C ATOM 469 CD ARG A 33 -11.696 16.735 1.396 1.00 0.00 C ATOM 470 NE ARG A 33 -12.421 17.963 1.791 1.00 0.00 N ATOM 471 CZ ARG A 33 -13.754 18.094 1.752 1.00 0.00 C ATOM 472 NH1 ARG A 33 -14.516 17.073 1.338 1.00 0.00 N ATOM 473 NH2 ARG A 33 -14.326 19.246 2.129 1.00 0.00 N ATOM 0 H ARG A 33 -7.811 15.976 2.669 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.721 14.213 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.488 16.737 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.915 15.944 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.027 16.479 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.932 17.925 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.817 16.559 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.119 15.872 1.910 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.872 18.760 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.082 16.195 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.531 17.173 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.747 20.023 2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.341 19.345 2.099 1.00 0.00 H new ATOM 487 N ARG A 34 -8.821 13.063 -0.385 1.00 0.00 N ATOM 488 CA ARG A 34 -8.243 12.247 -1.439 1.00 0.00 C ATOM 489 C ARG A 34 -6.937 11.610 -0.962 1.00 0.00 C ATOM 490 O ARG A 34 -5.934 11.633 -1.674 1.00 0.00 O ATOM 491 CB ARG A 34 -7.969 13.080 -2.693 1.00 0.00 C ATOM 492 CG ARG A 34 -9.133 14.027 -2.987 1.00 0.00 C ATOM 493 CD ARG A 34 -10.275 13.291 -3.691 1.00 0.00 C ATOM 494 NE ARG A 34 -11.520 13.415 -2.901 1.00 0.00 N ATOM 495 CZ ARG A 34 -12.136 14.578 -2.648 1.00 0.00 C ATOM 496 NH1 ARG A 34 -11.625 15.724 -3.120 1.00 0.00 N ATOM 497 NH2 ARG A 34 -13.262 14.596 -1.922 1.00 0.00 N ATOM 0 H ARG A 34 -9.789 12.838 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.962 11.466 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.053 13.655 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.809 12.419 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.496 14.463 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.787 14.851 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.425 13.704 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.018 12.239 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.935 12.562 -2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.767 15.711 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.094 16.609 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.651 13.724 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.731 15.481 -1.730 1.00 0.00 H new ATOM 511 N ALA A 35 -6.990 11.057 0.241 1.00 0.00 N ATOM 512 CA ALA A 35 -5.823 10.415 0.822 1.00 0.00 C ATOM 513 C ALA A 35 -6.257 9.142 1.552 1.00 0.00 C ATOM 514 O ALA A 35 -7.292 9.125 2.215 1.00 0.00 O ATOM 515 CB ALA A 35 -5.105 11.401 1.747 1.00 0.00 C ATOM 0 H ALA A 35 -7.823 11.040 0.829 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.117 10.125 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.230 10.920 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.792 12.274 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.782 11.712 2.543 1.00 0.00 H new ATOM 521 N ILE A 36 -5.442 8.107 1.404 1.00 0.00 N ATOM 522 CA ILE A 36 -5.729 6.833 2.040 1.00 0.00 C ATOM 523 C ILE A 36 -4.572 6.461 2.970 1.00 0.00 C ATOM 524 O ILE A 36 -3.434 6.871 2.746 1.00 0.00 O ATOM 525 CB ILE A 36 -6.040 5.766 0.988 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.158 6.229 0.052 1.00 0.00 C ATOM 527 CG2 ILE A 36 -6.362 4.424 1.647 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.447 5.176 -1.019 1.00 0.00 C ATOM 0 H ILE A 36 -4.584 8.125 0.853 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.624 6.908 2.657 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.150 5.618 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.062 6.424 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.874 7.168 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.579 3.683 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.507 4.094 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.230 4.537 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.246 5.530 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.547 5.001 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.754 4.246 -0.541 1.00 0.00 H new ATOM 540 N ASN A 37 -4.903 5.687 3.994 1.00 0.00 N ATOM 541 CA ASN A 37 -3.906 5.255 4.958 1.00 0.00 C ATOM 542 C ASN A 37 -3.643 3.759 4.778 1.00 0.00 C ATOM 543 O ASN A 37 -4.433 2.928 5.224 1.00 0.00 O ATOM 544 CB ASN A 37 -4.393 5.480 6.391 1.00 0.00 C ATOM 545 CG ASN A 37 -3.461 6.433 7.143 1.00 0.00 C ATOM 546 OD1 ASN A 37 -2.532 6.028 7.822 1.00 0.00 O ATOM 547 ND2 ASN A 37 -3.760 7.719 6.984 1.00 0.00 N ATOM 0 H ASN A 37 -5.848 5.348 4.176 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.999 5.836 4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.403 5.890 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.444 4.526 6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.197 8.434 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.552 7.990 6.401 1.00 0.00 H new ATOM 554 N LEU A 38 -2.531 3.461 4.122 1.00 0.00 N ATOM 555 CA LEU A 38 -2.154 2.079 3.878 1.00 0.00 C ATOM 556 C LEU A 38 -1.142 1.636 4.936 1.00 0.00 C ATOM 557 O LEU A 38 -0.076 2.235 5.070 1.00 0.00 O ATOM 558 CB LEU A 38 -1.658 1.906 2.441 1.00 0.00 C ATOM 559 CG LEU A 38 -1.789 0.500 1.851 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.838 -0.477 2.545 1.00 0.00 C ATOM 561 CD2 LEU A 38 -3.240 0.019 1.898 1.00 0.00 C ATOM 0 H LEU A 38 -1.879 4.153 3.752 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.021 1.425 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.206 2.599 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.609 2.199 2.402 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.498 0.541 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.951 -1.469 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.190 -0.138 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.074 -0.521 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.305 -0.982 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.583 -0.003 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.868 0.699 1.322 1.00 0.00 H new ATOM 573 N THR A 39 -1.511 0.590 5.661 1.00 0.00 N ATOM 574 CA THR A 39 -0.649 0.059 6.703 1.00 0.00 C ATOM 575 C THR A 39 -0.565 -1.465 6.601 1.00 0.00 C ATOM 576 O THR A 39 -1.578 -2.135 6.412 1.00 0.00 O ATOM 577 CB THR A 39 -1.180 0.550 8.051 1.00 0.00 C ATOM 578 OG1 THR A 39 -2.001 -0.521 8.511 1.00 0.00 O ATOM 579 CG2 THR A 39 -2.149 1.725 7.907 1.00 0.00 C ATOM 0 H THR A 39 -2.396 0.096 5.547 1.00 0.00 H new ATOM 0 HA THR A 39 0.374 0.417 6.591 1.00 0.00 H new ATOM 0 HB THR A 39 -0.343 0.845 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.385 -0.288 9.382 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.495 2.034 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.640 2.559 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.003 1.420 7.302 1.00 0.00 H new ATOM 587 N TRP A 40 0.654 -1.968 6.730 1.00 0.00 N ATOM 588 CA TRP A 40 0.884 -3.401 6.655 1.00 0.00 C ATOM 589 C TRP A 40 1.814 -3.791 7.805 1.00 0.00 C ATOM 590 O TRP A 40 2.138 -2.963 8.655 1.00 0.00 O ATOM 591 CB TRP A 40 1.432 -3.797 5.283 1.00 0.00 C ATOM 592 CG TRP A 40 2.730 -3.082 4.901 1.00 0.00 C ATOM 593 CD1 TRP A 40 3.984 -3.546 4.986 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.851 -1.747 4.366 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.901 -2.613 4.548 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.190 -1.483 4.159 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.862 -0.793 4.067 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.661 -0.270 3.644 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.350 0.415 3.554 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.694 0.695 3.340 1.00 0.00 C ATOM 0 H TRP A 40 1.493 -1.409 6.886 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.052 -3.948 6.763 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.604 -4.873 5.269 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.676 -3.585 4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.245 -4.528 5.352 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.914 -2.730 4.515 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.809 -0.978 4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.714 -0.088 3.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.632 1.183 3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.991 1.653 2.941 1.00 0.00 H new ATOM 611 N THR A 41 2.217 -5.053 7.796 1.00 0.00 N ATOM 612 CA THR A 41 3.104 -5.564 8.828 1.00 0.00 C ATOM 613 C THR A 41 4.504 -5.799 8.260 1.00 0.00 C ATOM 614 O THR A 41 4.667 -5.977 7.053 1.00 0.00 O ATOM 615 CB THR A 41 2.467 -6.825 9.416 1.00 0.00 C ATOM 616 OG1 THR A 41 1.512 -6.328 10.350 1.00 0.00 O ATOM 617 CG2 THR A 41 3.445 -7.628 10.275 1.00 0.00 C ATOM 0 H THR A 41 1.946 -5.737 7.090 1.00 0.00 H new ATOM 0 HA THR A 41 3.232 -4.841 9.633 1.00 0.00 H new ATOM 0 HB THR A 41 2.093 -7.454 8.608 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.050 -7.080 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.943 -8.512 10.668 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.296 -7.934 9.667 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.794 -7.011 11.103 1.00 0.00 H new ATOM 625 N LYS A 42 5.481 -5.792 9.155 1.00 0.00 N ATOM 626 CA LYS A 42 6.862 -6.002 8.758 1.00 0.00 C ATOM 627 C LYS A 42 7.099 -7.495 8.521 1.00 0.00 C ATOM 628 O LYS A 42 7.069 -8.289 9.460 1.00 0.00 O ATOM 629 CB LYS A 42 7.815 -5.384 9.784 1.00 0.00 C ATOM 630 CG LYS A 42 9.056 -4.806 9.101 1.00 0.00 C ATOM 631 CD LYS A 42 10.194 -5.828 9.075 1.00 0.00 C ATOM 632 CE LYS A 42 11.502 -5.181 8.615 1.00 0.00 C ATOM 633 NZ LYS A 42 11.957 -4.176 9.602 1.00 0.00 N ATOM 0 H LYS A 42 5.343 -5.644 10.155 1.00 0.00 H new ATOM 0 HA LYS A 42 7.069 -5.492 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.300 -4.598 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.114 -6.140 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.809 -4.506 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.380 -3.909 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.326 -6.256 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.935 -6.649 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.268 -5.946 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.359 -4.707 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.935 -4.387 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.917 -3.228 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.339 -4.206 10.438 1.00 0.00 H new ATOM 647 N PRO A 43 7.334 -7.841 7.227 1.00 0.00 N ATOM 648 CA PRO A 43 7.576 -9.224 6.854 1.00 0.00 C ATOM 649 C PRO A 43 8.982 -9.665 7.265 1.00 0.00 C ATOM 650 O PRO A 43 9.768 -8.861 7.762 1.00 0.00 O ATOM 651 CB PRO A 43 7.353 -9.271 5.351 1.00 0.00 C ATOM 652 CG PRO A 43 7.452 -7.833 4.870 1.00 0.00 C ATOM 653 CD PRO A 43 7.377 -6.928 6.089 1.00 0.00 C ATOM 0 HA PRO A 43 6.910 -9.920 7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.100 -9.898 4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.378 -9.696 5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.387 -7.674 4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.643 -7.606 4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.241 -6.266 6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.491 -6.293 6.057 1.00 0.00 H new ATOM 661 N PHE A 44 9.256 -10.942 7.040 1.00 0.00 N ATOM 662 CA PHE A 44 10.554 -11.500 7.380 1.00 0.00 C ATOM 663 C PHE A 44 11.536 -11.355 6.216 1.00 0.00 C ATOM 664 O PHE A 44 11.255 -11.800 5.104 1.00 0.00 O ATOM 665 CB PHE A 44 10.340 -12.987 7.669 1.00 0.00 C ATOM 666 CG PHE A 44 11.625 -13.746 8.007 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.566 -13.952 7.048 1.00 0.00 C ATOM 668 CD2 PHE A 44 11.826 -14.215 9.268 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.758 -14.657 7.361 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.018 -14.920 9.582 1.00 0.00 C ATOM 671 CZ PHE A 44 13.959 -15.125 8.622 1.00 0.00 C ATOM 0 H PHE A 44 8.601 -11.606 6.626 1.00 0.00 H new ATOM 0 HA PHE A 44 10.971 -10.974 8.239 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.641 -13.088 8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.873 -13.452 6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.407 -13.579 6.047 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.079 -14.051 10.030 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.505 -14.822 6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.177 -15.293 10.583 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.866 -15.660 8.861 1.00 0.00 H new ATOM 681 N ASP A 45 12.666 -10.729 6.510 1.00 0.00 N ATOM 682 CA ASP A 45 13.690 -10.520 5.502 1.00 0.00 C ATOM 683 C ASP A 45 14.544 -11.784 5.378 1.00 0.00 C ATOM 684 O ASP A 45 15.143 -12.231 6.354 1.00 0.00 O ATOM 685 CB ASP A 45 14.614 -9.362 5.886 1.00 0.00 C ATOM 686 CG ASP A 45 15.689 -9.708 6.919 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.322 -10.347 7.928 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.853 -9.324 6.675 1.00 0.00 O ATOM 0 H ASP A 45 12.895 -10.360 7.433 1.00 0.00 H new ATOM 0 HA ASP A 45 13.193 -10.288 4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.103 -8.993 4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.006 -8.546 6.276 1.00 0.00 H new ATOM 693 N GLY A 46 14.571 -12.324 4.168 1.00 0.00 N ATOM 694 CA GLY A 46 15.341 -13.528 3.904 1.00 0.00 C ATOM 695 C GLY A 46 16.652 -13.525 4.693 1.00 0.00 C ATOM 696 O GLY A 46 16.866 -14.379 5.551 1.00 0.00 O ATOM 0 H GLY A 46 14.073 -11.950 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.753 -14.406 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.554 -13.601 2.838 1.00 0.00 H new ATOM 700 N ASN A 47 17.495 -12.554 4.374 1.00 0.00 N ATOM 701 CA ASN A 47 18.779 -12.428 5.042 1.00 0.00 C ATOM 702 C ASN A 47 19.466 -11.142 4.580 1.00 0.00 C ATOM 703 O ASN A 47 20.689 -11.096 4.458 1.00 0.00 O ATOM 704 CB ASN A 47 19.696 -13.603 4.699 1.00 0.00 C ATOM 705 CG ASN A 47 19.462 -14.778 5.651 1.00 0.00 C ATOM 706 OD1 ASN A 47 19.430 -14.633 6.861 1.00 0.00 O ATOM 707 ND2 ASN A 47 19.300 -15.947 5.037 1.00 0.00 N ATOM 0 H ASN A 47 17.314 -11.847 3.662 1.00 0.00 H new ATOM 0 HA ASN A 47 18.599 -12.413 6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.516 -13.921 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.737 -13.285 4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.137 -16.792 5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 47 19.338 -15.998 4.019 1.00 0.00 H new ATOM 714 N SER A 48 18.649 -10.128 4.335 1.00 0.00 N ATOM 715 CA SER A 48 19.163 -8.844 3.888 1.00 0.00 C ATOM 716 C SER A 48 18.194 -7.727 4.281 1.00 0.00 C ATOM 717 O SER A 48 16.997 -7.966 4.438 1.00 0.00 O ATOM 718 CB SER A 48 19.395 -8.839 2.376 1.00 0.00 C ATOM 719 OG SER A 48 20.565 -8.109 2.018 1.00 0.00 O ATOM 0 H SER A 48 17.635 -10.169 4.437 1.00 0.00 H new ATOM 0 HA SER A 48 20.123 -8.672 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.485 -9.865 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.529 -8.403 1.878 1.00 0.00 H new ATOM 0 HG SER A 48 20.952 -8.491 1.202 1.00 0.00 H new ATOM 725 N PRO A 49 18.760 -6.500 4.431 1.00 0.00 N ATOM 726 CA PRO A 49 17.960 -5.346 4.802 1.00 0.00 C ATOM 727 C PRO A 49 17.126 -4.854 3.617 1.00 0.00 C ATOM 728 O PRO A 49 17.661 -4.603 2.538 1.00 0.00 O ATOM 729 CB PRO A 49 18.961 -4.314 5.294 1.00 0.00 C ATOM 730 CG PRO A 49 20.311 -4.750 4.748 1.00 0.00 C ATOM 731 CD PRO A 49 20.174 -6.180 4.253 1.00 0.00 C ATOM 0 HA PRO A 49 17.229 -5.573 5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.700 -3.317 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.975 -4.272 6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.624 -4.094 3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.075 -4.686 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.471 -6.268 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.808 -6.859 4.823 1.00 0.00 H new ATOM 739 N LEU A 50 15.829 -4.729 3.858 1.00 0.00 N ATOM 740 CA LEU A 50 14.917 -4.271 2.825 1.00 0.00 C ATOM 741 C LEU A 50 15.543 -3.086 2.086 1.00 0.00 C ATOM 742 O LEU A 50 16.376 -2.373 2.643 1.00 0.00 O ATOM 743 CB LEU A 50 13.541 -3.967 3.421 1.00 0.00 C ATOM 744 CG LEU A 50 12.789 -5.159 4.016 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.639 -4.691 4.911 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.311 -6.110 2.917 1.00 0.00 C ATOM 0 H LEU A 50 15.389 -4.937 4.754 1.00 0.00 H new ATOM 0 HA LEU A 50 14.753 -5.056 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.663 -3.214 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.920 -3.523 2.643 1.00 0.00 H new ATOM 0 HG LEU A 50 13.480 -5.718 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.121 -5.558 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.036 -4.086 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.940 -4.095 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.780 -6.948 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.642 -5.578 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.170 -6.482 2.359 1.00 0.00 H new ATOM 758 N ILE A 51 15.117 -2.913 0.843 1.00 0.00 N ATOM 759 CA ILE A 51 15.626 -1.827 0.023 1.00 0.00 C ATOM 760 C ILE A 51 14.494 -0.838 -0.266 1.00 0.00 C ATOM 761 O ILE A 51 14.597 0.343 0.063 1.00 0.00 O ATOM 762 CB ILE A 51 16.299 -2.376 -1.236 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.678 -2.954 -0.913 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.366 -1.310 -2.332 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.387 -3.425 -2.185 1.00 0.00 C ATOM 0 H ILE A 51 14.426 -3.506 0.384 1.00 0.00 H new ATOM 0 HA ILE A 51 16.401 -1.278 0.557 1.00 0.00 H new ATOM 0 HB ILE A 51 15.689 -3.194 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.285 -2.199 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.573 -3.789 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.849 -1.727 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.357 -0.987 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.940 -0.455 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.365 -3.831 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.790 -4.197 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.512 -2.582 -2.865 1.00 0.00 H new ATOM 777 N ARG A 52 13.439 -1.358 -0.877 1.00 0.00 N ATOM 778 CA ARG A 52 12.289 -0.536 -1.213 1.00 0.00 C ATOM 779 C ARG A 52 11.063 -1.416 -1.464 1.00 0.00 C ATOM 780 O ARG A 52 11.174 -2.640 -1.520 1.00 0.00 O ATOM 781 CB ARG A 52 12.563 0.311 -2.457 1.00 0.00 C ATOM 782 CG ARG A 52 12.498 -0.541 -3.726 1.00 0.00 C ATOM 783 CD ARG A 52 12.678 0.323 -4.977 1.00 0.00 C ATOM 784 NE ARG A 52 14.103 0.347 -5.375 1.00 0.00 N ATOM 785 CZ ARG A 52 14.536 0.697 -6.594 1.00 0.00 C ATOM 786 NH1 ARG A 52 13.658 1.055 -7.540 1.00 0.00 N ATOM 787 NH2 ARG A 52 15.848 0.690 -6.866 1.00 0.00 N ATOM 0 H ARG A 52 13.357 -2.338 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 52 12.098 0.128 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.834 1.119 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.546 0.775 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.273 -1.307 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.540 -1.059 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.071 -0.072 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.329 1.337 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 52 14.799 0.081 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.659 1.061 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.988 1.321 -8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.517 0.418 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.178 0.956 -7.794 1.00 0.00 H new ATOM 801 N TYR A 53 9.922 -0.758 -1.608 1.00 0.00 N ATOM 802 CA TYR A 53 8.676 -1.465 -1.851 1.00 0.00 C ATOM 803 C TYR A 53 7.888 -0.812 -2.988 1.00 0.00 C ATOM 804 O TYR A 53 7.657 0.396 -2.974 1.00 0.00 O ATOM 805 CB TYR A 53 7.868 -1.354 -0.557 1.00 0.00 C ATOM 806 CG TYR A 53 8.204 -2.427 0.481 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.461 -2.468 1.048 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.250 -3.354 0.849 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.777 -3.478 2.025 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.566 -4.364 1.826 1.00 0.00 C ATOM 811 CZ TYR A 53 8.814 -4.376 2.365 1.00 0.00 C ATOM 812 OH TYR A 53 9.112 -5.330 3.288 1.00 0.00 O ATOM 0 H TYR A 53 9.834 0.257 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 53 8.871 -2.499 -2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.039 -0.371 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.807 -1.415 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.208 -1.743 0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.266 -3.322 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.757 -3.521 2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.829 -5.095 2.123 1.00 0.00 H new ATOM 0 HH TYR A 53 8.415 -5.348 3.977 1.00 0.00 H new ATOM 822 N ILE A 54 7.497 -1.640 -3.946 1.00 0.00 N ATOM 823 CA ILE A 54 6.739 -1.158 -5.088 1.00 0.00 C ATOM 824 C ILE A 54 5.243 -1.270 -4.787 1.00 0.00 C ATOM 825 O ILE A 54 4.675 -2.359 -4.842 1.00 0.00 O ATOM 826 CB ILE A 54 7.166 -1.891 -6.362 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.690 -1.919 -6.494 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.495 -1.283 -7.595 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.118 -2.676 -7.752 1.00 0.00 C ATOM 0 H ILE A 54 7.691 -2.641 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 54 6.950 -0.104 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 54 6.830 -2.925 -6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.074 -0.900 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.126 -2.393 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.815 -1.822 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.412 -1.359 -7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.779 -0.234 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.206 -2.681 -7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.753 -3.702 -7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.700 -2.186 -8.631 1.00 0.00 H new ATOM 841 N LEU A 55 4.648 -0.128 -4.474 1.00 0.00 N ATOM 842 CA LEU A 55 3.230 -0.084 -4.164 1.00 0.00 C ATOM 843 C LEU A 55 2.442 0.218 -5.440 1.00 0.00 C ATOM 844 O LEU A 55 2.527 1.320 -5.980 1.00 0.00 O ATOM 845 CB LEU A 55 2.960 0.904 -3.027 1.00 0.00 C ATOM 846 CG LEU A 55 1.493 1.258 -2.779 1.00 0.00 C ATOM 847 CD1 LEU A 55 1.040 2.394 -3.699 1.00 0.00 C ATOM 848 CD2 LEU A 55 0.601 0.022 -2.913 1.00 0.00 C ATOM 0 H LEU A 55 5.123 0.774 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 55 2.890 -1.054 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.374 0.490 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.505 1.825 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 55 1.396 1.616 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.007 2.626 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.649 3.278 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.154 2.088 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.437 0.301 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.696 -0.388 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.907 -0.729 -2.184 1.00 0.00 H new ATOM 860 N GLU A 56 1.693 -0.781 -5.885 1.00 0.00 N ATOM 861 CA GLU A 56 0.891 -0.636 -7.088 1.00 0.00 C ATOM 862 C GLU A 56 -0.586 -0.470 -6.724 1.00 0.00 C ATOM 863 O GLU A 56 -1.134 -1.265 -5.963 1.00 0.00 O ATOM 864 CB GLU A 56 1.094 -1.826 -8.029 1.00 0.00 C ATOM 865 CG GLU A 56 2.174 -1.524 -9.069 1.00 0.00 C ATOM 866 CD GLU A 56 2.275 -2.653 -10.097 1.00 0.00 C ATOM 867 OE1 GLU A 56 3.024 -3.613 -9.814 1.00 0.00 O ATOM 868 OE2 GLU A 56 1.601 -2.530 -11.143 1.00 0.00 O ATOM 0 H GLU A 56 1.625 -1.693 -5.434 1.00 0.00 H new ATOM 0 HA GLU A 56 1.218 0.261 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.376 -2.707 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.156 -2.061 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.945 -0.586 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.135 -1.392 -8.573 1.00 0.00 H new ATOM 875 N MET A 57 -1.187 0.569 -7.286 1.00 0.00 N ATOM 876 CA MET A 57 -2.590 0.850 -7.030 1.00 0.00 C ATOM 877 C MET A 57 -3.464 0.376 -8.193 1.00 0.00 C ATOM 878 O MET A 57 -3.035 0.395 -9.345 1.00 0.00 O ATOM 879 CB MET A 57 -2.781 2.354 -6.827 1.00 0.00 C ATOM 880 CG MET A 57 -4.264 2.706 -6.697 1.00 0.00 C ATOM 881 SD MET A 57 -4.474 4.478 -6.701 1.00 0.00 S ATOM 882 CE MET A 57 -4.129 4.828 -8.417 1.00 0.00 C ATOM 0 H MET A 57 -0.728 1.226 -7.917 1.00 0.00 H new ATOM 0 HA MET A 57 -2.891 0.313 -6.131 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.248 2.674 -5.932 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.347 2.896 -7.667 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.825 2.263 -7.520 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.666 2.286 -5.775 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.420 5.853 -8.645 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.063 4.703 -8.607 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.693 4.142 -9.049 1.00 0.00 H new ATOM 892 N SER A 58 -4.676 -0.037 -7.850 1.00 0.00 N ATOM 893 CA SER A 58 -5.615 -0.515 -8.850 1.00 0.00 C ATOM 894 C SER A 58 -6.917 0.283 -8.769 1.00 0.00 C ATOM 895 O SER A 58 -7.750 0.032 -7.900 1.00 0.00 O ATOM 896 CB SER A 58 -5.895 -2.008 -8.674 1.00 0.00 C ATOM 897 OG SER A 58 -7.169 -2.377 -9.195 1.00 0.00 O ATOM 0 H SER A 58 -5.029 -0.050 -6.893 1.00 0.00 H new ATOM 0 HA SER A 58 -5.169 -0.371 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.117 -2.584 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.848 -2.263 -7.615 1.00 0.00 H new ATOM 0 HG SER A 58 -7.149 -2.328 -10.174 1.00 0.00 H new ATOM 903 N GLU A 59 -7.053 1.230 -9.686 1.00 0.00 N ATOM 904 CA GLU A 59 -8.240 2.067 -9.729 1.00 0.00 C ATOM 905 C GLU A 59 -9.429 1.272 -10.272 1.00 0.00 C ATOM 906 O GLU A 59 -9.539 1.059 -11.478 1.00 0.00 O ATOM 907 CB GLU A 59 -7.994 3.325 -10.563 1.00 0.00 C ATOM 908 CG GLU A 59 -9.049 4.393 -10.268 1.00 0.00 C ATOM 909 CD GLU A 59 -8.874 5.605 -11.187 1.00 0.00 C ATOM 910 OE1 GLU A 59 -7.742 5.780 -11.686 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.877 6.328 -11.369 1.00 0.00 O ATOM 0 H GLU A 59 -6.360 1.436 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.474 2.386 -8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.001 3.720 -10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.013 3.072 -11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.045 3.972 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.973 4.707 -9.227 1.00 0.00 H new ATOM 918 N ASN A 60 -10.291 0.856 -9.355 1.00 0.00 N ATOM 919 CA ASN A 60 -11.468 0.091 -9.726 1.00 0.00 C ATOM 920 C ASN A 60 -11.036 -1.157 -10.500 1.00 0.00 C ATOM 921 O ASN A 60 -10.728 -2.187 -9.901 1.00 0.00 O ATOM 922 CB ASN A 60 -12.395 0.908 -10.628 1.00 0.00 C ATOM 923 CG ASN A 60 -13.364 1.752 -9.797 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.227 1.246 -9.099 1.00 0.00 O ATOM 925 ND2 ASN A 60 -13.173 3.064 -9.911 1.00 0.00 N ATOM 0 H ASN A 60 -10.197 1.035 -8.355 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.998 -0.176 -8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.802 1.557 -11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.957 0.239 -11.280 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.768 3.713 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.431 3.421 -10.513 1.00 0.00 H new ATOM 932 N ASN A 61 -11.028 -1.024 -11.818 1.00 0.00 N ATOM 933 CA ASN A 61 -10.639 -2.128 -12.679 1.00 0.00 C ATOM 934 C ASN A 61 -9.358 -1.758 -13.428 1.00 0.00 C ATOM 935 O ASN A 61 -9.038 -2.358 -14.453 1.00 0.00 O ATOM 936 CB ASN A 61 -11.724 -2.426 -13.716 1.00 0.00 C ATOM 937 CG ASN A 61 -12.812 -3.326 -13.128 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.682 -4.537 -13.060 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.890 -2.669 -12.709 1.00 0.00 N ATOM 0 H ASN A 61 -11.285 -0.169 -12.311 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.487 -3.007 -12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.167 -1.492 -14.062 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.278 -2.909 -14.586 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.673 -3.181 -12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.934 -1.654 -12.795 1.00 0.00 H new ATOM 946 N ALA A 62 -8.659 -0.770 -12.888 1.00 0.00 N ATOM 947 CA ALA A 62 -7.419 -0.313 -13.493 1.00 0.00 C ATOM 948 C ALA A 62 -6.312 -1.329 -13.207 1.00 0.00 C ATOM 949 O ALA A 62 -6.324 -1.991 -12.171 1.00 0.00 O ATOM 950 CB ALA A 62 -7.079 1.083 -12.967 1.00 0.00 C ATOM 0 H ALA A 62 -8.928 -0.273 -12.039 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.525 -0.237 -14.575 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.149 1.426 -13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.883 1.773 -13.221 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.962 1.045 -11.884 1.00 0.00 H new ATOM 956 N PRO A 63 -5.356 -1.424 -14.171 1.00 0.00 N ATOM 957 CA PRO A 63 -4.244 -2.349 -14.033 1.00 0.00 C ATOM 958 C PRO A 63 -3.221 -1.829 -13.021 1.00 0.00 C ATOM 959 O PRO A 63 -2.979 -0.626 -12.940 1.00 0.00 O ATOM 960 CB PRO A 63 -3.674 -2.489 -15.435 1.00 0.00 C ATOM 961 CG PRO A 63 -4.187 -1.291 -16.216 1.00 0.00 C ATOM 962 CD PRO A 63 -5.310 -0.656 -15.412 1.00 0.00 C ATOM 0 HA PRO A 63 -4.549 -3.320 -13.642 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.584 -2.504 -15.414 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.996 -3.423 -15.896 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.384 -0.573 -16.384 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.548 -1.601 -17.197 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.112 0.398 -15.218 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.259 -0.709 -15.946 1.00 0.00 H new ATOM 970 N TRP A 64 -2.649 -2.762 -12.274 1.00 0.00 N ATOM 971 CA TRP A 64 -1.658 -2.414 -11.271 1.00 0.00 C ATOM 972 C TRP A 64 -0.708 -1.382 -11.882 1.00 0.00 C ATOM 973 O TRP A 64 0.068 -1.704 -12.782 1.00 0.00 O ATOM 974 CB TRP A 64 -0.935 -3.661 -10.757 1.00 0.00 C ATOM 975 CG TRP A 64 -1.868 -4.724 -10.173 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.060 -5.979 -10.603 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.733 -4.574 -9.028 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.982 -6.646 -9.822 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.404 -5.764 -8.834 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.943 -3.469 -8.185 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.329 -5.963 -7.802 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.870 -3.684 -7.158 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.553 -4.876 -6.949 1.00 0.00 C ATOM 0 H TRP A 64 -2.853 -3.759 -12.344 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.135 -1.973 -10.396 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.366 -4.102 -11.575 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.217 -3.363 -9.993 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.556 -6.414 -11.454 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.296 -7.608 -9.947 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.430 -2.528 -8.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.842 -6.904 -7.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.068 -2.866 -6.481 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.254 -4.963 -6.132 1.00 0.00 H new ATOM 994 N THR A 65 -0.799 -0.164 -11.370 1.00 0.00 N ATOM 995 CA THR A 65 0.042 0.917 -11.855 1.00 0.00 C ATOM 996 C THR A 65 1.078 1.301 -10.797 1.00 0.00 C ATOM 997 O THR A 65 0.722 1.720 -9.697 1.00 0.00 O ATOM 998 CB THR A 65 -0.867 2.077 -12.265 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.115 2.775 -13.253 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.051 3.102 -11.143 1.00 0.00 C ATOM 0 H THR A 65 -1.443 0.099 -10.624 1.00 0.00 H new ATOM 0 HA THR A 65 0.615 0.610 -12.730 1.00 0.00 H new ATOM 0 HB THR A 65 -1.840 1.687 -12.564 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.632 3.543 -13.575 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.704 3.904 -11.486 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.498 2.616 -10.276 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.082 3.517 -10.867 1.00 0.00 H new ATOM 1008 N VAL A 66 2.341 1.146 -11.168 1.00 0.00 N ATOM 1009 CA VAL A 66 3.432 1.472 -10.264 1.00 0.00 C ATOM 1010 C VAL A 66 3.285 2.921 -9.797 1.00 0.00 C ATOM 1011 O VAL A 66 3.640 3.850 -10.522 1.00 0.00 O ATOM 1012 CB VAL A 66 4.774 1.195 -10.944 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.940 1.584 -10.032 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.879 -0.269 -11.374 1.00 0.00 C ATOM 0 H VAL A 66 2.633 0.799 -12.082 1.00 0.00 H new ATOM 0 HA VAL A 66 3.396 0.840 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 66 4.829 1.812 -11.841 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.883 1.377 -10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.880 2.647 -9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.889 1.005 -9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.842 -0.439 -11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.792 -0.912 -10.499 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.078 -0.500 -12.076 1.00 0.00 H new ATOM 1024 N LEU A 67 2.762 3.070 -8.589 1.00 0.00 N ATOM 1025 CA LEU A 67 2.565 4.391 -8.017 1.00 0.00 C ATOM 1026 C LEU A 67 3.858 4.846 -7.337 1.00 0.00 C ATOM 1027 O LEU A 67 4.456 5.843 -7.737 1.00 0.00 O ATOM 1028 CB LEU A 67 1.348 4.397 -7.090 1.00 0.00 C ATOM 1029 CG LEU A 67 0.040 4.899 -7.704 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.035 5.084 -6.630 1.00 0.00 C ATOM 1031 CD2 LEU A 67 0.268 6.178 -8.511 1.00 0.00 C ATOM 0 H LEU A 67 2.469 2.298 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 67 2.344 5.116 -8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.189 3.382 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.580 5.015 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.324 4.141 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.955 5.442 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.224 4.131 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.693 5.812 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.678 6.513 -8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.667 6.954 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.977 5.980 -9.315 1.00 0.00 H new ATOM 1043 N LEU A 68 4.251 4.093 -6.320 1.00 0.00 N ATOM 1044 CA LEU A 68 5.462 4.406 -5.581 1.00 0.00 C ATOM 1045 C LEU A 68 6.518 3.336 -5.864 1.00 0.00 C ATOM 1046 O LEU A 68 6.380 2.193 -5.432 1.00 0.00 O ATOM 1047 CB LEU A 68 5.151 4.585 -4.093 1.00 0.00 C ATOM 1048 CG LEU A 68 5.512 5.944 -3.491 1.00 0.00 C ATOM 1049 CD1 LEU A 68 5.002 6.060 -2.053 1.00 0.00 C ATOM 1050 CD2 LEU A 68 7.016 6.205 -3.588 1.00 0.00 C ATOM 0 H LEU A 68 3.752 3.267 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 68 5.875 5.358 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.085 4.415 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.680 3.811 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 68 5.013 6.718 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.272 7.036 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.918 5.950 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.453 5.277 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.245 7.178 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.556 5.429 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.320 6.195 -4.635 1.00 0.00 H new ATOM 1062 N ALA A 69 7.550 3.746 -6.588 1.00 0.00 N ATOM 1063 CA ALA A 69 8.629 2.836 -6.934 1.00 0.00 C ATOM 1064 C ALA A 69 9.679 2.851 -5.820 1.00 0.00 C ATOM 1065 O ALA A 69 10.270 1.819 -5.506 1.00 0.00 O ATOM 1066 CB ALA A 69 9.214 3.231 -8.291 1.00 0.00 C ATOM 0 H ALA A 69 7.662 4.695 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 69 8.257 1.815 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.023 2.549 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.436 3.177 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.600 4.249 -8.238 1.00 0.00 H new ATOM 1072 N SER A 70 9.879 4.032 -5.255 1.00 0.00 N ATOM 1073 CA SER A 70 10.847 4.195 -4.184 1.00 0.00 C ATOM 1074 C SER A 70 10.124 4.414 -2.853 1.00 0.00 C ATOM 1075 O SER A 70 9.677 5.522 -2.561 1.00 0.00 O ATOM 1076 CB SER A 70 11.796 5.360 -4.470 1.00 0.00 C ATOM 1077 OG SER A 70 12.046 6.144 -3.307 1.00 0.00 O ATOM 0 H SER A 70 9.387 4.886 -5.519 1.00 0.00 H new ATOM 0 HA SER A 70 11.443 3.284 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.739 4.973 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.369 5.992 -5.248 1.00 0.00 H new ATOM 0 HG SER A 70 11.194 6.424 -2.912 1.00 0.00 H new ATOM 1083 N VAL A 71 10.030 3.340 -2.083 1.00 0.00 N ATOM 1084 CA VAL A 71 9.369 3.401 -0.791 1.00 0.00 C ATOM 1085 C VAL A 71 10.377 3.067 0.310 1.00 0.00 C ATOM 1086 O VAL A 71 11.331 2.325 0.079 1.00 0.00 O ATOM 1087 CB VAL A 71 8.148 2.479 -0.784 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.720 2.147 0.647 1.00 0.00 C ATOM 1089 CG2 VAL A 71 6.991 3.094 -1.573 1.00 0.00 C ATOM 0 H VAL A 71 10.401 2.422 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 71 9.000 4.408 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 71 8.430 1.547 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.850 1.490 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.538 1.647 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.466 3.067 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.136 2.418 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.711 4.047 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.300 3.256 -2.606 1.00 0.00 H new ATOM 1099 N ASP A 72 10.132 3.630 1.484 1.00 0.00 N ATOM 1100 CA ASP A 72 11.007 3.401 2.621 1.00 0.00 C ATOM 1101 C ASP A 72 10.868 1.948 3.081 1.00 0.00 C ATOM 1102 O ASP A 72 9.757 1.458 3.275 1.00 0.00 O ATOM 1103 CB ASP A 72 10.632 4.307 3.796 1.00 0.00 C ATOM 1104 CG ASP A 72 11.559 5.505 4.010 1.00 0.00 C ATOM 1105 OD1 ASP A 72 11.939 6.118 2.989 1.00 0.00 O ATOM 1106 OD2 ASP A 72 11.867 5.781 5.189 1.00 0.00 O ATOM 0 H ASP A 72 9.340 4.244 1.672 1.00 0.00 H new ATOM 0 HA ASP A 72 12.029 3.619 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.617 4.675 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.620 3.709 4.707 1.00 0.00 H new ATOM 1111 N PRO A 73 12.043 1.283 3.247 1.00 0.00 N ATOM 1112 CA PRO A 73 12.063 -0.103 3.681 1.00 0.00 C ATOM 1113 C PRO A 73 11.749 -0.215 5.174 1.00 0.00 C ATOM 1114 O PRO A 73 11.394 -1.289 5.658 1.00 0.00 O ATOM 1115 CB PRO A 73 13.453 -0.606 3.326 1.00 0.00 C ATOM 1116 CG PRO A 73 14.309 0.635 3.135 1.00 0.00 C ATOM 1117 CD PRO A 73 13.378 1.831 3.026 1.00 0.00 C ATOM 0 HA PRO A 73 11.299 -0.708 3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.854 -1.239 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.430 -1.208 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.994 0.759 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.919 0.543 2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.622 2.591 3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.455 2.305 2.047 1.00 0.00 H new ATOM 1125 N LYS A 74 11.891 0.908 5.862 1.00 0.00 N ATOM 1126 CA LYS A 74 11.627 0.950 7.290 1.00 0.00 C ATOM 1127 C LYS A 74 10.226 1.516 7.529 1.00 0.00 C ATOM 1128 O LYS A 74 9.912 1.958 8.633 1.00 0.00 O ATOM 1129 CB LYS A 74 12.733 1.717 8.017 1.00 0.00 C ATOM 1130 CG LYS A 74 14.117 1.230 7.581 1.00 0.00 C ATOM 1131 CD LYS A 74 15.126 1.349 8.725 1.00 0.00 C ATOM 1132 CE LYS A 74 15.235 2.796 9.211 1.00 0.00 C ATOM 1133 NZ LYS A 74 15.606 2.835 10.643 1.00 0.00 N ATOM 0 H LYS A 74 12.186 1.796 5.457 1.00 0.00 H new ATOM 0 HA LYS A 74 11.640 -0.056 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.637 2.783 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.621 1.590 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.055 0.192 7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.460 1.814 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.822 0.706 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.103 0.999 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.981 3.329 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.285 3.309 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.676 3.824 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.880 2.344 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.523 2.364 10.777 1.00 0.00 H new ATOM 1147 N ALA A 75 9.422 1.484 6.477 1.00 0.00 N ATOM 1148 CA ALA A 75 8.062 1.989 6.558 1.00 0.00 C ATOM 1149 C ALA A 75 7.081 0.824 6.410 1.00 0.00 C ATOM 1150 O ALA A 75 7.283 -0.062 5.581 1.00 0.00 O ATOM 1151 CB ALA A 75 7.852 3.066 5.493 1.00 0.00 C ATOM 0 H ALA A 75 9.686 1.116 5.563 1.00 0.00 H new ATOM 0 HA ALA A 75 7.882 2.451 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.832 3.444 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.553 3.884 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.022 2.638 4.505 1.00 0.00 H new ATOM 1157 N THR A 76 6.039 0.863 7.228 1.00 0.00 N ATOM 1158 CA THR A 76 5.025 -0.178 7.198 1.00 0.00 C ATOM 1159 C THR A 76 3.681 0.398 6.749 1.00 0.00 C ATOM 1160 O THR A 76 2.725 -0.344 6.531 1.00 0.00 O ATOM 1161 CB THR A 76 4.976 -0.829 8.582 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.234 0.247 9.481 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.137 -1.797 8.816 1.00 0.00 C ATOM 0 H THR A 76 5.875 1.599 7.915 1.00 0.00 H new ATOM 0 HA THR A 76 5.271 -0.949 6.468 1.00 0.00 H new ATOM 0 HB THR A 76 4.032 -1.361 8.699 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.219 -0.086 10.403 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.054 -2.231 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.104 -2.592 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.081 -1.259 8.732 1.00 0.00 H new ATOM 1171 N SER A 77 3.651 1.717 6.624 1.00 0.00 N ATOM 1172 CA SER A 77 2.440 2.401 6.204 1.00 0.00 C ATOM 1173 C SER A 77 2.779 3.482 5.176 1.00 0.00 C ATOM 1174 O SER A 77 3.884 4.024 5.181 1.00 0.00 O ATOM 1175 CB SER A 77 1.713 3.017 7.401 1.00 0.00 C ATOM 1176 OG SER A 77 2.606 3.708 8.271 1.00 0.00 O ATOM 0 H SER A 77 4.446 2.330 6.806 1.00 0.00 H new ATOM 0 HA SER A 77 1.775 1.669 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.948 3.707 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.200 2.232 7.957 1.00 0.00 H new ATOM 0 HG SER A 77 2.103 4.088 9.021 1.00 0.00 H new ATOM 1182 N VAL A 78 1.809 3.764 4.319 1.00 0.00 N ATOM 1183 CA VAL A 78 1.991 4.770 3.287 1.00 0.00 C ATOM 1184 C VAL A 78 0.672 5.513 3.066 1.00 0.00 C ATOM 1185 O VAL A 78 -0.399 4.986 3.365 1.00 0.00 O ATOM 1186 CB VAL A 78 2.531 4.120 2.011 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.431 3.345 1.283 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.169 5.163 1.092 1.00 0.00 C ATOM 0 H VAL A 78 0.894 3.313 4.318 1.00 0.00 H new ATOM 0 HA VAL A 78 2.731 5.507 3.599 1.00 0.00 H new ATOM 0 HB VAL A 78 3.306 3.410 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.841 2.893 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.043 2.563 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.624 4.026 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.545 4.675 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.424 5.909 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.994 5.650 1.612 1.00 0.00 H new ATOM 1198 N THR A 79 0.792 6.725 2.545 1.00 0.00 N ATOM 1199 CA THR A 79 -0.378 7.545 2.281 1.00 0.00 C ATOM 1200 C THR A 79 -0.524 7.799 0.780 1.00 0.00 C ATOM 1201 O THR A 79 0.359 8.385 0.156 1.00 0.00 O ATOM 1202 CB THR A 79 -0.251 8.829 3.104 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.146 8.370 4.449 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.535 9.661 3.094 1.00 0.00 C ATOM 0 H THR A 79 1.682 7.159 2.299 1.00 0.00 H new ATOM 0 HA THR A 79 -1.293 7.036 2.583 1.00 0.00 H new ATOM 0 HB THR A 79 0.573 9.428 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.058 9.138 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.390 10.560 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.778 9.942 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.352 9.074 3.513 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.647 7.344 0.242 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.920 7.514 -1.175 1.00 0.00 C ATOM 1214 C VAL A 80 -2.798 8.751 -1.376 1.00 0.00 C ATOM 1215 O VAL A 80 -4.000 8.712 -1.120 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.545 6.239 -1.744 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.741 6.352 -3.257 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.704 5.011 -1.390 1.00 0.00 C ATOM 0 H VAL A 80 -2.378 6.858 0.762 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.994 7.680 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.527 6.115 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.187 5.432 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.400 7.192 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.776 6.512 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.170 4.118 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.702 5.124 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.639 4.915 -0.306 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.162 9.820 -1.833 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.870 11.067 -2.071 1.00 0.00 C ATOM 1230 C LYS A 81 -2.980 11.305 -3.578 1.00 0.00 C ATOM 1231 O LYS A 81 -2.107 10.894 -4.341 1.00 0.00 O ATOM 1232 CB LYS A 81 -2.201 12.216 -1.314 1.00 0.00 C ATOM 1233 CG LYS A 81 -2.491 12.126 0.186 1.00 0.00 C ATOM 1234 CD LYS A 81 -1.439 12.889 0.994 1.00 0.00 C ATOM 1235 CE LYS A 81 -0.194 12.030 1.222 1.00 0.00 C ATOM 1236 NZ LYS A 81 0.435 12.363 2.520 1.00 0.00 N ATOM 0 H LYS A 81 -1.165 9.849 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.886 11.009 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.124 12.189 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.560 13.169 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.480 12.533 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.505 11.081 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.163 13.803 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.859 13.189 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.465 10.974 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.519 12.191 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.418 12.663 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.094 13.135 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.423 11.525 3.136 1.00 0.00 H new ATOM 1250 N GLY A 82 -4.061 11.969 -3.962 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.296 12.268 -5.365 1.00 0.00 C ATOM 1252 C GLY A 82 -5.327 11.309 -5.964 1.00 0.00 C ATOM 1253 O GLY A 82 -5.331 11.070 -7.170 1.00 0.00 O ATOM 0 H GLY A 82 -4.783 12.308 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.646 13.295 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.360 12.193 -5.918 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.177 10.785 -5.092 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.210 9.857 -5.520 1.00 0.00 C ATOM 1259 C LEU A 83 -8.464 10.641 -5.911 1.00 0.00 C ATOM 1260 O LEU A 83 -8.611 11.807 -5.545 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.458 8.797 -4.444 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.707 7.476 -4.619 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -5.329 7.706 -5.241 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -6.618 6.716 -3.294 1.00 0.00 C ATOM 0 H LEU A 83 -6.171 10.986 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.887 9.310 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.188 9.220 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.526 8.583 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.272 6.852 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.817 6.751 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.445 8.174 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.742 8.358 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.079 5.781 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.089 7.324 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.623 6.501 -2.930 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.337 9.971 -6.649 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.573 10.591 -7.093 1.00 0.00 C ATOM 1278 C VAL A 84 -11.692 10.254 -6.105 1.00 0.00 C ATOM 1279 O VAL A 84 -11.738 9.148 -5.568 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.891 10.158 -8.526 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.279 10.642 -8.950 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.817 10.651 -9.498 1.00 0.00 C ATOM 0 H VAL A 84 -9.212 9.005 -6.950 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.470 11.676 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.894 9.068 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.480 10.321 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.031 10.220 -8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.317 11.730 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.067 10.330 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.768 11.739 -9.464 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.850 10.235 -9.214 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.589 11.253 -5.889 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.704 11.073 -4.975 1.00 0.00 C ATOM 1294 C PRO A 85 -14.786 10.189 -5.598 1.00 0.00 C ATOM 1295 O PRO A 85 -14.998 10.221 -6.809 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.190 12.480 -4.667 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.637 13.364 -5.772 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.565 12.575 -6.507 1.00 0.00 C ATOM 0 HA PRO A 85 -13.419 10.555 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.279 12.520 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.837 12.810 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.431 13.660 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.218 14.280 -5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.778 12.517 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.586 13.044 -6.402 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.442 9.420 -4.741 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.497 8.528 -5.192 1.00 0.00 C ATOM 1308 C ALA A 86 -15.912 7.504 -6.166 1.00 0.00 C ATOM 1309 O ALA A 86 -16.436 7.316 -7.263 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.627 9.349 -5.817 1.00 0.00 C ATOM 0 H ALA A 86 -15.263 9.396 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.920 7.978 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.418 8.680 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.028 10.040 -5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.241 9.913 -6.666 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.834 6.869 -5.730 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.172 5.869 -6.550 1.00 0.00 C ATOM 1318 C ARG A 87 -13.397 4.887 -5.668 1.00 0.00 C ATOM 1319 O ARG A 87 -12.851 5.273 -4.636 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.208 6.521 -7.544 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.955 7.033 -8.777 1.00 0.00 C ATOM 1322 CD ARG A 87 -13.017 7.139 -9.981 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.741 7.712 -11.138 1.00 0.00 N ATOM 1324 CZ ARG A 87 -14.580 7.016 -11.918 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -14.805 5.719 -11.670 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -15.193 7.618 -12.946 1.00 0.00 N ATOM 0 H ARG A 87 -14.403 7.028 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.942 5.334 -7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.686 7.347 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.450 5.799 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.780 6.360 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.390 8.009 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.161 7.765 -9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.628 6.154 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.592 8.697 -11.355 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.338 5.261 -10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.443 5.190 -12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.021 8.606 -13.135 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.832 7.089 -13.540 1.00 0.00 H new ATOM 1340 N SER A 88 -13.375 3.638 -6.107 1.00 0.00 N ATOM 1341 CA SER A 88 -12.677 2.598 -5.371 1.00 0.00 C ATOM 1342 C SER A 88 -11.191 2.605 -5.737 1.00 0.00 C ATOM 1343 O SER A 88 -10.828 2.936 -6.864 1.00 0.00 O ATOM 1344 CB SER A 88 -13.285 1.222 -5.649 1.00 0.00 C ATOM 1345 OG SER A 88 -14.619 1.119 -5.158 1.00 0.00 O ATOM 0 H SER A 88 -13.830 3.322 -6.964 1.00 0.00 H new ATOM 0 HA SER A 88 -12.784 2.804 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.278 1.033 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.668 0.452 -5.186 1.00 0.00 H new ATOM 0 HG SER A 88 -14.696 1.611 -4.314 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.373 2.237 -4.762 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.935 2.197 -4.968 1.00 0.00 C ATOM 1353 C TYR A 89 -8.299 1.052 -4.176 1.00 0.00 C ATOM 1354 O TYR A 89 -8.542 0.911 -2.978 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.396 3.527 -4.439 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.496 4.681 -5.439 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.701 4.686 -6.567 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.380 5.716 -5.212 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.795 5.772 -7.508 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.474 6.802 -6.153 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.677 6.776 -7.255 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.766 7.802 -8.144 1.00 0.00 O ATOM 0 H TYR A 89 -10.678 1.964 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.703 2.041 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.943 3.795 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.352 3.397 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.009 3.876 -6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.001 5.712 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.179 5.789 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.161 7.618 -5.988 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.319 7.528 -8.906 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.499 0.263 -4.877 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.827 -0.865 -4.255 1.00 0.00 C ATOM 1374 C GLN A 90 -5.330 -0.580 -4.115 1.00 0.00 C ATOM 1375 O GLN A 90 -4.803 0.322 -4.764 1.00 0.00 O ATOM 1376 CB GLN A 90 -7.068 -2.152 -5.047 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.351 -2.846 -4.587 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.519 -4.202 -5.277 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -7.944 -4.472 -6.318 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.337 -5.035 -4.641 1.00 0.00 N ATOM 0 H GLN A 90 -7.301 0.382 -5.870 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.245 -1.007 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.136 -1.922 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.220 -2.825 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.326 -2.985 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.210 -2.213 -4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.786 -4.745 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.515 -5.964 -5.022 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.688 -1.366 -3.263 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.262 -1.209 -3.029 1.00 0.00 C ATOM 1391 C PHE A 91 -2.596 -2.563 -2.776 1.00 0.00 C ATOM 1392 O PHE A 91 -3.209 -3.463 -2.205 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.107 -0.337 -1.782 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.484 1.130 -1.997 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -3.241 1.726 -3.195 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.063 1.839 -0.991 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.591 3.088 -3.395 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -4.414 3.200 -1.191 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.170 3.796 -2.389 1.00 0.00 C ATOM 0 H PHE A 91 -5.129 -2.113 -2.726 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.789 -0.759 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.727 -0.748 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.073 -0.389 -1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.782 1.164 -3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.256 1.366 -0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.397 3.561 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.875 3.762 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.436 4.832 -2.541 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.349 -2.664 -3.214 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.593 -3.893 -3.042 1.00 0.00 C ATOM 1411 C ARG A 92 0.891 -3.645 -3.317 1.00 0.00 C ATOM 1412 O ARG A 92 1.282 -3.391 -4.456 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.103 -4.989 -3.981 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.226 -4.469 -5.414 1.00 0.00 C ATOM 1415 CD ARG A 92 -1.021 -5.598 -6.426 1.00 0.00 C ATOM 1416 NE ARG A 92 0.037 -5.227 -7.392 1.00 0.00 N ATOM 1417 CZ ARG A 92 0.768 -6.113 -8.083 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.560 -7.427 -7.918 1.00 0.00 N ATOM 1419 NH2 ARG A 92 1.707 -5.685 -8.937 1.00 0.00 N ATOM 0 H ARG A 92 -0.844 -1.915 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.725 -4.223 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.422 -5.840 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.073 -5.347 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.209 -4.020 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.489 -3.684 -5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.746 -6.516 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.953 -5.798 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 92 0.222 -4.235 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.154 -7.752 -7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.116 -8.101 -8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.866 -4.685 -9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.263 -6.359 -9.463 1.00 0.00 H new ATOM 1433 N LEU A 93 1.679 -3.728 -2.255 1.00 0.00 N ATOM 1434 CA LEU A 93 3.112 -3.516 -2.367 1.00 0.00 C ATOM 1435 C LEU A 93 3.845 -4.804 -1.988 1.00 0.00 C ATOM 1436 O LEU A 93 3.305 -5.640 -1.265 1.00 0.00 O ATOM 1437 CB LEU A 93 3.540 -2.300 -1.543 1.00 0.00 C ATOM 1438 CG LEU A 93 3.310 -2.398 -0.034 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.220 -1.429 0.724 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.834 -2.186 0.311 1.00 0.00 C ATOM 0 H LEU A 93 1.352 -3.939 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 93 3.383 -3.286 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.601 -2.123 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.005 -1.427 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 93 3.574 -3.406 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.036 -1.519 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.262 -1.669 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.011 -0.408 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.698 -2.261 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.520 -1.198 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.232 -2.948 -0.184 1.00 0.00 H new ATOM 1452 N CYS A 94 5.064 -4.924 -2.494 1.00 0.00 N ATOM 1453 CA CYS A 94 5.876 -6.097 -2.217 1.00 0.00 C ATOM 1454 C CYS A 94 7.172 -5.636 -1.547 1.00 0.00 C ATOM 1455 O CYS A 94 7.421 -4.437 -1.426 1.00 0.00 O ATOM 1456 CB CYS A 94 6.147 -6.909 -3.485 1.00 0.00 C ATOM 1457 SG CYS A 94 6.985 -5.863 -4.731 1.00 0.00 S ATOM 0 H CYS A 94 5.509 -4.229 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 94 5.338 -6.765 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.767 -7.773 -3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.210 -7.291 -3.890 1.00 0.00 H new ATOM 0 HG CYS A 94 6.170 -5.623 -5.715 1.00 0.00 H new ATOM 1463 N ALA A 95 7.964 -6.613 -1.129 1.00 0.00 N ATOM 1464 CA ALA A 95 9.228 -6.322 -0.474 1.00 0.00 C ATOM 1465 C ALA A 95 10.373 -6.537 -1.466 1.00 0.00 C ATOM 1466 O ALA A 95 10.476 -7.597 -2.081 1.00 0.00 O ATOM 1467 CB ALA A 95 9.368 -7.195 0.775 1.00 0.00 C ATOM 0 H ALA A 95 7.755 -7.606 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 95 9.262 -5.282 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.316 -6.977 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.547 -6.984 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.341 -8.246 0.489 1.00 0.00 H new ATOM 1473 N VAL A 96 11.205 -5.513 -1.591 1.00 0.00 N ATOM 1474 CA VAL A 96 12.338 -5.576 -2.498 1.00 0.00 C ATOM 1475 C VAL A 96 13.621 -5.259 -1.728 1.00 0.00 C ATOM 1476 O VAL A 96 13.730 -4.204 -1.103 1.00 0.00 O ATOM 1477 CB VAL A 96 12.109 -4.641 -3.688 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.249 -4.755 -4.702 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.757 -4.917 -4.349 1.00 0.00 C ATOM 0 H VAL A 96 11.117 -4.635 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 96 12.444 -6.581 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 96 12.096 -3.618 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.062 -4.080 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.190 -4.486 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.308 -5.780 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.619 -4.239 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.729 -5.947 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.959 -4.761 -3.623 1.00 0.00 H new ATOM 1489 N ASN A 97 14.561 -6.190 -1.797 1.00 0.00 N ATOM 1490 CA ASN A 97 15.832 -6.023 -1.113 1.00 0.00 C ATOM 1491 C ASN A 97 16.973 -6.335 -2.084 1.00 0.00 C ATOM 1492 O ASN A 97 16.736 -6.591 -3.263 1.00 0.00 O ATOM 1493 CB ASN A 97 15.948 -6.979 0.076 1.00 0.00 C ATOM 1494 CG ASN A 97 15.279 -8.320 -0.232 1.00 0.00 C ATOM 1495 OD1 ASN A 97 14.745 -8.545 -1.305 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.337 -9.195 0.768 1.00 0.00 N ATOM 0 H ASN A 97 14.468 -7.063 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 97 15.890 -4.995 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.999 -7.140 0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.484 -6.530 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.919 -10.119 0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.800 -8.942 1.641 1.00 0.00 H new ATOM 1503 N ASP A 98 18.185 -6.303 -1.551 1.00 0.00 N ATOM 1504 CA ASP A 98 19.364 -6.579 -2.355 1.00 0.00 C ATOM 1505 C ASP A 98 19.195 -7.931 -3.052 1.00 0.00 C ATOM 1506 O ASP A 98 19.333 -8.027 -4.270 1.00 0.00 O ATOM 1507 CB ASP A 98 20.620 -6.649 -1.485 1.00 0.00 C ATOM 1508 CG ASP A 98 21.920 -6.919 -2.247 1.00 0.00 C ATOM 1509 OD1 ASP A 98 22.457 -5.944 -2.815 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.345 -8.094 -2.244 1.00 0.00 O ATOM 0 H ASP A 98 18.377 -6.090 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 98 19.473 -5.774 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.722 -5.708 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.484 -7.432 -0.739 1.00 0.00 H new ATOM 1515 N VAL A 99 18.898 -8.942 -2.249 1.00 0.00 N ATOM 1516 CA VAL A 99 18.709 -10.284 -2.773 1.00 0.00 C ATOM 1517 C VAL A 99 17.835 -10.218 -4.027 1.00 0.00 C ATOM 1518 O VAL A 99 18.115 -10.890 -5.018 1.00 0.00 O ATOM 1519 CB VAL A 99 18.130 -11.193 -1.687 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.894 -11.031 -0.371 1.00 0.00 C ATOM 1521 CG2 VAL A 99 16.636 -10.928 -1.490 1.00 0.00 C ATOM 0 H VAL A 99 18.784 -8.859 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 99 19.665 -10.719 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 99 18.247 -12.225 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.462 -11.688 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 99 19.941 -11.293 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.824 -9.997 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.249 -11.587 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.487 -9.890 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 99 16.107 -11.118 -2.424 1.00 0.00 H new ATOM 1531 N GLY A 100 16.795 -9.402 -3.942 1.00 0.00 N ATOM 1532 CA GLY A 100 15.878 -9.240 -5.058 1.00 0.00 C ATOM 1533 C GLY A 100 14.509 -8.756 -4.577 1.00 0.00 C ATOM 1534 O GLY A 100 14.417 -8.013 -3.601 1.00 0.00 O ATOM 0 H GLY A 100 16.567 -8.846 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.290 -8.526 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.768 -10.189 -5.584 1.00 0.00 H new ATOM 1538 N LYS A 101 13.479 -9.198 -5.283 1.00 0.00 N ATOM 1539 CA LYS A 101 12.118 -8.819 -4.941 1.00 0.00 C ATOM 1540 C LYS A 101 11.353 -10.056 -4.468 1.00 0.00 C ATOM 1541 O LYS A 101 11.620 -11.168 -4.922 1.00 0.00 O ATOM 1542 CB LYS A 101 11.452 -8.095 -6.112 1.00 0.00 C ATOM 1543 CG LYS A 101 9.937 -8.016 -5.918 1.00 0.00 C ATOM 1544 CD LYS A 101 9.227 -7.751 -7.247 1.00 0.00 C ATOM 1545 CE LYS A 101 9.759 -6.479 -7.909 1.00 0.00 C ATOM 1546 NZ LYS A 101 8.677 -5.481 -8.061 1.00 0.00 N ATOM 0 H LYS A 101 13.559 -9.815 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 101 12.117 -8.107 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.863 -7.090 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.676 -8.617 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.573 -8.949 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.698 -7.223 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.370 -8.600 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.154 -7.656 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.566 -6.060 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.180 -6.719 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.863 -4.892 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.767 -5.971 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.639 -4.878 -7.214 1.00 0.00 H new ATOM 1560 N GLY A 102 10.416 -9.822 -3.561 1.00 0.00 N ATOM 1561 CA GLY A 102 9.610 -10.904 -3.021 1.00 0.00 C ATOM 1562 C GLY A 102 8.257 -10.987 -3.731 1.00 0.00 C ATOM 1563 O GLY A 102 8.188 -11.360 -4.901 1.00 0.00 O ATOM 0 H GLY A 102 10.197 -8.899 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.142 -11.849 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.455 -10.749 -1.953 1.00 0.00 H new ATOM 1567 N GLN A 103 7.215 -10.632 -2.993 1.00 0.00 N ATOM 1568 CA GLN A 103 5.868 -10.661 -3.538 1.00 0.00 C ATOM 1569 C GLN A 103 5.041 -9.507 -2.969 1.00 0.00 C ATOM 1570 O GLN A 103 5.409 -8.915 -1.956 1.00 0.00 O ATOM 1571 CB GLN A 103 5.194 -12.007 -3.262 1.00 0.00 C ATOM 1572 CG GLN A 103 5.241 -12.348 -1.771 1.00 0.00 C ATOM 1573 CD GLN A 103 3.916 -12.957 -1.306 1.00 0.00 C ATOM 1574 OE1 GLN A 103 2.847 -12.237 -1.631 1.00 0.00 O flip ATOM 1575 NE2 GLN A 103 3.869 -14.011 -0.694 1.00 0.00 N flip ATOM 0 H GLN A 103 7.276 -10.323 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 103 5.931 -10.539 -4.619 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.158 -11.975 -3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.691 -12.791 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.054 -13.048 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.454 -11.448 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.730 -14.513 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.969 -14.390 -0.399 1.00 0.00 H new ATOM 1584 N PHE A 104 3.938 -9.222 -3.646 1.00 0.00 N ATOM 1585 CA PHE A 104 3.055 -8.149 -3.221 1.00 0.00 C ATOM 1586 C PHE A 104 1.942 -8.680 -2.316 1.00 0.00 C ATOM 1587 O PHE A 104 1.611 -9.864 -2.364 1.00 0.00 O ATOM 1588 CB PHE A 104 2.429 -7.557 -4.485 1.00 0.00 C ATOM 1589 CG PHE A 104 3.435 -6.884 -5.422 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.332 -7.639 -6.112 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.432 -5.532 -5.564 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.265 -7.014 -6.981 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.366 -4.907 -6.433 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.262 -5.662 -7.123 1.00 0.00 C ATOM 0 H PHE A 104 3.636 -9.716 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 104 3.619 -7.404 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.915 -8.350 -5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.673 -6.827 -4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.334 -8.713 -5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.720 -4.933 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.977 -7.613 -7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.364 -3.833 -6.546 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.972 -5.187 -7.784 1.00 0.00 H new ATOM 1604 N SER A 105 1.396 -7.780 -1.512 1.00 0.00 N ATOM 1605 CA SER A 105 0.327 -8.144 -0.597 1.00 0.00 C ATOM 1606 C SER A 105 -1.014 -8.141 -1.333 1.00 0.00 C ATOM 1607 O SER A 105 -1.226 -7.342 -2.243 1.00 0.00 O ATOM 1608 CB SER A 105 0.279 -7.191 0.599 1.00 0.00 C ATOM 1609 OG SER A 105 0.318 -5.825 0.196 1.00 0.00 O ATOM 0 H SER A 105 1.674 -6.799 -1.475 1.00 0.00 H new ATOM 0 HA SER A 105 0.525 -9.147 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.630 -7.374 1.172 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.120 -7.398 1.261 1.00 0.00 H new ATOM 0 HG SER A 105 0.124 -5.251 0.966 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.886 -9.045 -0.910 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.201 -9.158 -1.517 1.00 0.00 C ATOM 1617 C LYS A 106 -3.813 -7.763 -1.661 1.00 0.00 C ATOM 1618 O LYS A 106 -3.310 -6.798 -1.086 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.075 -10.134 -0.727 1.00 0.00 C ATOM 1620 CG LYS A 106 -3.675 -11.583 -1.013 1.00 0.00 C ATOM 1621 CD LYS A 106 -4.503 -12.556 -0.171 1.00 0.00 C ATOM 1622 CE LYS A 106 -4.365 -12.246 1.320 1.00 0.00 C ATOM 1623 NZ LYS A 106 -4.079 -13.482 2.082 1.00 0.00 N ATOM 0 H LYS A 106 -1.707 -9.706 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.122 -9.578 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.981 -9.931 0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.122 -9.984 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.816 -11.801 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -2.615 -11.721 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.551 -12.494 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.178 -13.578 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.564 -11.523 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.283 -11.789 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.988 -13.254 3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.856 -14.160 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.191 -13.902 1.741 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.889 -7.699 -2.431 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.574 -6.438 -2.657 1.00 0.00 C ATOM 1639 C ASP A 107 -6.357 -6.055 -1.400 1.00 0.00 C ATOM 1640 O ASP A 107 -7.312 -6.735 -1.027 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.567 -6.551 -3.816 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.399 -7.835 -3.831 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -7.554 -8.424 -2.740 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -7.862 -8.198 -4.934 1.00 0.00 O ATOM 0 H ASP A 107 -5.304 -8.501 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.823 -5.685 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.244 -5.698 -3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.017 -6.481 -4.754 1.00 0.00 H new ATOM 1649 N THR A 108 -5.922 -4.968 -0.779 1.00 0.00 N ATOM 1650 CA THR A 108 -6.570 -4.486 0.429 1.00 0.00 C ATOM 1651 C THR A 108 -8.088 -4.447 0.241 1.00 0.00 C ATOM 1652 O THR A 108 -8.588 -4.704 -0.853 1.00 0.00 O ATOM 1653 CB THR A 108 -5.966 -3.125 0.779 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.921 -2.434 -0.467 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.498 -3.227 1.201 1.00 0.00 C ATOM 0 H THR A 108 -5.129 -4.407 -1.090 1.00 0.00 H new ATOM 0 HA THR A 108 -6.395 -5.160 1.267 1.00 0.00 H new ATOM 0 HB THR A 108 -6.544 -2.667 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.461 -1.618 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.118 -2.233 1.438 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.416 -3.867 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.914 -3.654 0.386 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.778 -4.123 1.324 1.00 0.00 N ATOM 1664 CA GLU A 109 -10.229 -4.047 1.292 1.00 0.00 C ATOM 1665 C GLU A 109 -10.680 -2.900 0.387 1.00 0.00 C ATOM 1666 O GLU A 109 -10.218 -1.769 0.535 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.801 -3.890 2.703 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.980 -2.915 2.711 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.801 -3.059 3.994 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -13.593 -4.024 4.056 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -12.618 -2.200 4.884 1.00 0.00 O ATOM 0 H GLU A 109 -8.360 -3.910 2.230 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.614 -4.981 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.125 -4.861 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.023 -3.531 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.612 -1.893 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.616 -3.100 1.845 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.577 -3.230 -0.531 1.00 0.00 N ATOM 1679 CA ARG A 110 -12.096 -2.241 -1.460 1.00 0.00 C ATOM 1680 C ARG A 110 -12.249 -0.887 -0.764 1.00 0.00 C ATOM 1681 O ARG A 110 -13.248 -0.642 -0.089 1.00 0.00 O ATOM 1682 CB ARG A 110 -13.451 -2.673 -2.025 1.00 0.00 C ATOM 1683 CG ARG A 110 -13.580 -2.284 -3.499 1.00 0.00 C ATOM 1684 CD ARG A 110 -15.037 -1.994 -3.863 1.00 0.00 C ATOM 1685 NE ARG A 110 -15.215 -2.062 -5.331 1.00 0.00 N ATOM 1686 CZ ARG A 110 -16.360 -1.770 -5.964 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -17.435 -1.389 -5.261 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -16.429 -1.859 -7.299 1.00 0.00 N ATOM 0 H ARG A 110 -11.957 -4.169 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 110 -11.385 -2.153 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.566 -3.752 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -14.253 -2.209 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.969 -1.405 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -13.198 -3.089 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.693 -2.715 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -15.322 -1.007 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.416 -2.349 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -17.382 -1.321 -4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -18.306 -1.167 -5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -15.610 -2.149 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -17.300 -1.637 -7.781 1.00 0.00 H new ATOM 1702 N VAL A 111 -11.245 -0.044 -0.952 1.00 0.00 N ATOM 1703 CA VAL A 111 -11.256 1.279 -0.351 1.00 0.00 C ATOM 1704 C VAL A 111 -11.956 2.258 -1.294 1.00 0.00 C ATOM 1705 O VAL A 111 -11.505 2.473 -2.419 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.829 1.705 0.001 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.829 3.004 0.811 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -9.093 0.592 0.750 1.00 0.00 C ATOM 0 H VAL A 111 -10.418 -0.251 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.819 1.269 0.583 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.295 1.891 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.803 3.285 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.296 3.797 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.388 2.856 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.081 0.921 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.626 0.360 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.047 -0.299 0.124 1.00 0.00 H new ATOM 1718 N SER A 112 -13.048 2.826 -0.803 1.00 0.00 N ATOM 1719 CA SER A 112 -13.816 3.777 -1.588 1.00 0.00 C ATOM 1720 C SER A 112 -13.566 5.198 -1.079 1.00 0.00 C ATOM 1721 O SER A 112 -13.485 5.423 0.127 1.00 0.00 O ATOM 1722 CB SER A 112 -15.310 3.451 -1.542 1.00 0.00 C ATOM 1723 OG SER A 112 -15.665 2.442 -2.484 1.00 0.00 O ATOM 0 H SER A 112 -13.419 2.645 0.130 1.00 0.00 H new ATOM 0 HA SER A 112 -13.489 3.707 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.578 3.121 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.885 4.355 -1.745 1.00 0.00 H new ATOM 0 HG SER A 112 -16.626 2.261 -2.423 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.452 6.119 -2.024 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.214 7.512 -1.686 1.00 0.00 C ATOM 1731 C LEU A 113 -14.555 8.235 -1.546 1.00 0.00 C ATOM 1732 O LEU A 113 -15.564 7.792 -2.093 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.271 8.157 -2.704 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.007 8.802 -2.133 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.774 7.945 -2.426 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -10.843 10.235 -2.644 1.00 0.00 C ATOM 0 H LEU A 113 -13.520 5.928 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.708 7.589 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -11.973 7.397 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.826 8.917 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.112 8.857 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -8.889 8.426 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.899 6.961 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.654 7.836 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.937 10.670 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.770 10.227 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -11.705 10.830 -2.342 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.523 9.366 -0.791 1.00 0.00 N ATOM 1749 CA PRO A 114 -15.723 10.154 -0.572 1.00 0.00 C ATOM 1750 C PRO A 114 -16.087 10.958 -1.822 1.00 0.00 C ATOM 1751 O PRO A 114 -15.206 11.443 -2.530 1.00 0.00 O ATOM 1752 CB PRO A 114 -15.404 11.032 0.627 1.00 0.00 C ATOM 1753 CG PRO A 114 -13.888 11.040 0.746 1.00 0.00 C ATOM 1754 CD PRO A 114 -13.346 9.921 -0.127 1.00 0.00 C ATOM 0 HA PRO A 114 -16.600 9.538 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -15.790 12.042 0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.865 10.638 1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -13.485 12.002 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -13.586 10.895 1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.624 10.298 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -12.835 9.166 0.470 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.386 11.075 -2.054 1.00 0.00 N ATOM 1763 CA GLU A 115 -17.876 11.812 -3.206 1.00 0.00 C ATOM 1764 C GLU A 115 -17.494 13.289 -3.094 1.00 0.00 C ATOM 1765 O GLU A 115 -17.229 13.784 -1.999 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.390 11.647 -3.358 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.810 11.770 -4.824 1.00 0.00 C ATOM 1768 CD GLU A 115 -21.266 11.338 -5.015 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -22.057 11.578 -4.078 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -21.554 10.777 -6.094 1.00 0.00 O ATOM 0 H GLU A 115 -18.114 10.672 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.407 11.403 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.694 10.675 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.903 12.403 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.686 12.801 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.160 11.154 -5.445 1.00 0.00 H new