USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 106 ASN : amide:sc= -0.7 X(o=-0.13,f=-0.35) USER MOD Set 1.2: A 108 SER OG : rot -20:sc= 0.57 USER MOD Set 2.1: A 52 SER OG : rot -93:sc= 0.43 USER MOD Set 2.2: A 54 ASN : amide:sc= -1.98! C(o=-1.3!,f=-1.8!) USER MOD Set 2.3: A 93 SER OG : rot -55:sc= 0.673 USER MOD Set 2.4: A 98 SER OG : rot 38:sc= -0.397 USER MOD Set 3.1: A 51 GLN : amide:sc= -1.33! X(o=0.44!,f=0.039) USER MOD Set 3.2: A 94 SER OG : rot 140:sc= 1.77 USER MOD Single : A 31 SER OG : rot 46:sc= 0.681 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.0667 F(o=-1.1,f=-0.067) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.13! C(o=-6.6!,f=-2.1!) USER MOD Single : A 61 GLN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 68 THR OG1 : rot -147:sc= -1.56! USER MOD Single : A 71 THR OG1 : rot -91:sc= 1.84 USER MOD Single : A 80 SER OG : rot -16:sc= 0.357! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 117:sc= 0.0674 USER MOD Single : A 92 THR OG1 : rot 3:sc= 0.593 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 41:sc= -0.0553 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -12.417 2.023 4.680 1.00 0.00 N ATOM 213 CA GLU A 28 -11.005 1.872 4.266 1.00 0.00 C ATOM 214 C GLU A 28 -10.869 2.505 2.882 1.00 0.00 C ATOM 215 O GLU A 28 -10.824 3.710 2.734 1.00 0.00 O ATOM 216 CB GLU A 28 -10.699 0.366 4.229 1.00 0.00 C ATOM 217 CG GLU A 28 -10.649 -0.148 5.672 1.00 0.00 C ATOM 218 CD GLU A 28 -9.841 -1.445 5.713 1.00 0.00 C ATOM 219 OE1 GLU A 28 -8.638 -1.329 5.542 1.00 0.00 O ATOM 220 OE2 GLU A 28 -10.470 -2.470 5.913 1.00 0.00 O ATOM 0 HA GLU A 28 -10.306 2.358 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.465 -0.164 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.749 0.183 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.194 0.599 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.659 -0.322 6.044 1.00 0.00 H new ATOM 227 N VAL A 29 -10.787 1.646 1.911 1.00 0.00 N ATOM 228 CA VAL A 29 -10.698 2.104 0.492 1.00 0.00 C ATOM 229 C VAL A 29 -11.053 0.980 -0.457 1.00 0.00 C ATOM 230 O VAL A 29 -12.078 0.983 -1.112 1.00 0.00 O ATOM 231 CB VAL A 29 -9.304 2.614 0.115 1.00 0.00 C ATOM 232 CG1 VAL A 29 -9.119 2.454 -1.398 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.239 4.118 0.383 1.00 0.00 C ATOM 0 H VAL A 29 -10.777 0.634 2.036 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.406 2.928 0.404 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.553 2.065 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.130 2.813 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.215 1.402 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.880 3.033 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.250 4.492 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.993 4.627 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.428 4.308 1.440 1.00 0.00 H new ATOM 243 N GLU A 30 -10.153 0.040 -0.487 1.00 0.00 N ATOM 244 CA GLU A 30 -10.339 -1.111 -1.398 1.00 0.00 C ATOM 245 C GLU A 30 -9.783 -2.395 -0.798 1.00 0.00 C ATOM 246 O GLU A 30 -8.630 -2.498 -0.426 1.00 0.00 O ATOM 247 CB GLU A 30 -9.621 -0.810 -2.718 1.00 0.00 C ATOM 248 CG GLU A 30 -9.795 -1.995 -3.677 1.00 0.00 C ATOM 249 CD GLU A 30 -11.285 -2.224 -3.945 1.00 0.00 C ATOM 250 OE1 GLU A 30 -11.767 -1.601 -4.877 1.00 0.00 O ATOM 251 OE2 GLU A 30 -11.856 -3.007 -3.204 1.00 0.00 O ATOM 0 H GLU A 30 -9.303 0.022 0.077 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.407 -1.257 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.027 0.097 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.562 -0.629 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.273 -1.798 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.350 -2.892 -3.247 1.00 0.00 H new ATOM 258 N SER A 31 -10.682 -3.322 -0.669 1.00 0.00 N ATOM 259 CA SER A 31 -10.302 -4.665 -0.155 1.00 0.00 C ATOM 260 C SER A 31 -9.980 -5.551 -1.365 1.00 0.00 C ATOM 261 O SER A 31 -10.844 -5.891 -2.150 1.00 0.00 O ATOM 262 CB SER A 31 -11.467 -5.251 0.636 1.00 0.00 C ATOM 263 OG SER A 31 -12.593 -4.994 -0.191 1.00 0.00 O ATOM 0 H SER A 31 -11.670 -3.209 -0.898 1.00 0.00 H new ATOM 0 HA SER A 31 -9.436 -4.602 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.335 -6.318 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.569 -4.776 1.612 1.00 0.00 H new ATOM 0 HG SER A 31 -12.383 -5.240 -1.116 1.00 0.00 H new ATOM 269 N LEU A 32 -8.727 -5.893 -1.469 1.00 0.00 N ATOM 270 CA LEU A 32 -8.254 -6.730 -2.607 1.00 0.00 C ATOM 271 C LEU A 32 -7.928 -8.152 -2.151 1.00 0.00 C ATOM 272 O LEU A 32 -7.081 -8.374 -1.307 1.00 0.00 O ATOM 273 CB LEU A 32 -6.991 -6.090 -3.195 1.00 0.00 C ATOM 274 CG LEU A 32 -7.326 -4.681 -3.703 1.00 0.00 C ATOM 275 CD1 LEU A 32 -6.031 -4.001 -4.158 1.00 0.00 C ATOM 276 CD2 LEU A 32 -8.271 -4.791 -4.906 1.00 0.00 C ATOM 0 H LEU A 32 -8.001 -5.625 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.046 -6.784 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.209 -6.040 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.606 -6.701 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.800 -4.103 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.255 -2.998 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.339 -3.936 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.576 -4.584 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.513 -3.793 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.786 -5.360 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.187 -5.298 -4.604 1.00 0.00 H new ATOM 288 N LEU A 33 -8.635 -9.073 -2.740 1.00 0.00 N ATOM 289 CA LEU A 33 -8.439 -10.513 -2.422 1.00 0.00 C ATOM 290 C LEU A 33 -7.721 -11.160 -3.613 1.00 0.00 C ATOM 291 O LEU A 33 -8.276 -11.271 -4.688 1.00 0.00 O ATOM 292 CB LEU A 33 -9.826 -11.135 -2.207 1.00 0.00 C ATOM 293 CG LEU A 33 -10.469 -10.483 -0.973 1.00 0.00 C ATOM 294 CD1 LEU A 33 -11.185 -9.193 -1.387 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.502 -11.446 -0.385 1.00 0.00 C ATOM 0 H LEU A 33 -9.353 -8.885 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.840 -10.662 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.451 -10.979 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.740 -12.212 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.696 -10.257 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.640 -8.732 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.465 -8.503 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.959 -9.425 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.964 -10.993 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.268 -11.658 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.010 -12.375 -0.096 1.00 0.00 H new ATOM 307 N VAL A 34 -6.499 -11.569 -3.392 1.00 0.00 N ATOM 308 CA VAL A 34 -5.716 -12.174 -4.513 1.00 0.00 C ATOM 309 C VAL A 34 -5.075 -13.516 -4.121 1.00 0.00 C ATOM 310 O VAL A 34 -5.195 -13.976 -3.003 1.00 0.00 O ATOM 311 CB VAL A 34 -4.633 -11.164 -4.944 1.00 0.00 C ATOM 312 CG1 VAL A 34 -4.766 -10.931 -6.451 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.905 -9.822 -4.251 1.00 0.00 C ATOM 0 H VAL A 34 -6.013 -11.512 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.394 -12.387 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.645 -11.544 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.008 -10.219 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.628 -11.875 -6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.757 -10.533 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.145 -9.099 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.889 -9.455 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.874 -9.958 -3.170 1.00 0.00 H new ATOM 323 N HIS A 35 -4.386 -14.122 -5.052 1.00 0.00 N ATOM 324 CA HIS A 35 -3.745 -15.433 -4.756 1.00 0.00 C ATOM 325 C HIS A 35 -2.221 -15.293 -4.810 1.00 0.00 C ATOM 326 O HIS A 35 -1.693 -14.399 -5.444 1.00 0.00 O ATOM 327 CB HIS A 35 -4.197 -16.431 -5.822 1.00 0.00 C ATOM 328 CG HIS A 35 -5.674 -16.781 -5.617 1.00 0.00 C ATOM 329 ND1 HIS A 35 -6.545 -16.465 -4.589 1.00 0.00 N flip ATOM 330 CD2 HIS A 35 -6.387 -17.484 -6.433 1.00 0.00 C flip ATOM 331 CE1 HIS A 35 -7.734 -16.985 -4.825 1.00 0.00 C flip ATOM 332 NE2 HIS A 35 -7.591 -17.604 -5.970 1.00 0.00 N flip ATOM 0 H HIS A 35 -4.241 -13.768 -5.997 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.032 -15.774 -3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.049 -16.007 -6.815 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.589 -17.334 -5.768 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.303 -15.910 -3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.033 -17.908 -7.361 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.622 -16.916 -4.214 1.00 0.00 H new ATOM 340 N PRO A 36 -1.551 -16.206 -4.158 1.00 0.00 N ATOM 341 CA PRO A 36 -0.072 -16.219 -4.115 1.00 0.00 C ATOM 342 C PRO A 36 0.527 -16.288 -5.524 1.00 0.00 C ATOM 343 O PRO A 36 0.846 -17.350 -6.020 1.00 0.00 O ATOM 344 CB PRO A 36 0.293 -17.466 -3.294 1.00 0.00 C ATOM 345 CG PRO A 36 -1.037 -18.093 -2.779 1.00 0.00 C ATOM 346 CD PRO A 36 -2.203 -17.306 -3.406 1.00 0.00 C ATOM 0 HA PRO A 36 0.327 -15.308 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.842 -18.181 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.940 -17.199 -2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.095 -19.146 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.085 -18.046 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.799 -17.938 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.876 -16.919 -2.641 1.00 0.00 H new ATOM 354 N GLY A 37 0.662 -15.144 -6.141 1.00 0.00 N ATOM 355 CA GLY A 37 1.243 -15.121 -7.515 1.00 0.00 C ATOM 356 C GLY A 37 0.832 -13.879 -8.317 1.00 0.00 C ATOM 357 O GLY A 37 1.328 -13.661 -9.405 1.00 0.00 O ATOM 0 H GLY A 37 0.399 -14.235 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.330 -15.159 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.927 -16.015 -8.052 1.00 0.00 H new ATOM 361 N ASP A 38 -0.057 -13.087 -7.778 1.00 0.00 N ATOM 362 CA ASP A 38 -0.493 -11.873 -8.535 1.00 0.00 C ATOM 363 C ASP A 38 0.236 -10.586 -8.159 1.00 0.00 C ATOM 364 O ASP A 38 1.270 -10.584 -7.522 1.00 0.00 O ATOM 365 CB ASP A 38 -1.994 -11.673 -8.307 1.00 0.00 C ATOM 366 CG ASP A 38 -2.737 -12.975 -8.616 1.00 0.00 C ATOM 367 OD1 ASP A 38 -2.571 -13.452 -9.727 1.00 0.00 O ATOM 368 OD2 ASP A 38 -3.431 -13.409 -7.712 1.00 0.00 O ATOM 0 H ASP A 38 -0.493 -13.222 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.248 -12.061 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.179 -11.373 -7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.365 -10.870 -8.944 1.00 0.00 H new ATOM 373 N LEU A 39 -0.343 -9.531 -8.661 1.00 0.00 N ATOM 374 CA LEU A 39 0.155 -8.149 -8.443 1.00 0.00 C ATOM 375 C LEU A 39 -1.033 -7.311 -7.978 1.00 0.00 C ATOM 376 O LEU A 39 -2.107 -7.346 -8.546 1.00 0.00 O ATOM 377 CB LEU A 39 0.716 -7.595 -9.762 1.00 0.00 C ATOM 378 CG LEU A 39 -0.266 -7.882 -10.909 1.00 0.00 C ATOM 379 CD1 LEU A 39 -0.104 -6.793 -11.975 1.00 0.00 C ATOM 380 CD2 LEU A 39 0.087 -9.232 -11.544 1.00 0.00 C ATOM 0 H LEU A 39 -1.181 -9.578 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 39 0.951 -8.127 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.882 -6.521 -9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.683 -8.051 -9.976 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.287 -7.900 -10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.795 -6.983 -12.797 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.321 -5.819 -11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.919 -6.802 -12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.605 -9.443 -12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.105 -9.196 -11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.013 -10.018 -10.792 1.00 0.00 H new ATOM 392 N LEU A 40 -0.781 -6.582 -6.934 1.00 0.00 N ATOM 393 CA LEU A 40 -1.828 -5.723 -6.323 1.00 0.00 C ATOM 394 C LEU A 40 -1.345 -4.266 -6.240 1.00 0.00 C ATOM 395 O LEU A 40 -0.209 -3.997 -5.907 1.00 0.00 O ATOM 396 CB LEU A 40 -2.084 -6.287 -4.926 1.00 0.00 C ATOM 397 CG LEU A 40 -0.901 -5.930 -4.024 1.00 0.00 C ATOM 398 CD1 LEU A 40 -1.295 -4.740 -3.148 1.00 0.00 C ATOM 399 CD2 LEU A 40 -0.552 -7.133 -3.148 1.00 0.00 C ATOM 0 H LEU A 40 0.125 -6.544 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.740 -5.724 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.007 -5.877 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.209 -7.369 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.032 -5.668 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.461 -4.474 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.547 -3.890 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.158 -5.007 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.291 -6.882 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.412 -7.397 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.285 -7.979 -3.781 1.00 0.00 H new ATOM 411 N GLN A 41 -2.222 -3.346 -6.528 1.00 0.00 N ATOM 412 CA GLN A 41 -1.800 -1.914 -6.474 1.00 0.00 C ATOM 413 C GLN A 41 -2.573 -1.094 -5.435 1.00 0.00 C ATOM 414 O GLN A 41 -3.763 -1.260 -5.253 1.00 0.00 O ATOM 415 CB GLN A 41 -2.013 -1.277 -7.856 1.00 0.00 C ATOM 416 CG GLN A 41 -1.471 -2.216 -8.944 1.00 0.00 C ATOM 417 CD GLN A 41 -2.460 -3.359 -9.217 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.656 -3.328 -8.691 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -2.151 -4.296 -9.925 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.192 -3.514 -6.793 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.750 -1.904 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.074 -1.087 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.505 -0.314 -7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.295 -1.654 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.511 -2.626 -8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.221 -4.335 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.821 -5.044 -10.102 1.00 0.00 H new ATOM 428 N LEU A 42 -1.851 -0.223 -4.779 1.00 0.00 N ATOM 429 CA LEU A 42 -2.460 0.669 -3.755 1.00 0.00 C ATOM 430 C LEU A 42 -2.242 2.091 -4.265 1.00 0.00 C ATOM 431 O LEU A 42 -1.109 2.499 -4.417 1.00 0.00 O ATOM 432 CB LEU A 42 -1.710 0.529 -2.420 1.00 0.00 C ATOM 433 CG LEU A 42 -1.127 -0.878 -2.255 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.095 -0.846 -1.112 1.00 0.00 C ATOM 435 CD2 LEU A 42 -2.259 -1.828 -1.867 1.00 0.00 C ATOM 0 H LEU A 42 -0.848 -0.092 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.511 0.425 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.908 1.265 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.389 0.743 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.656 -1.209 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.332 -1.840 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.699 -0.140 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.584 -0.535 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.862 -2.836 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.706 -1.498 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.018 -1.829 -2.650 1.00 0.00 H new ATOM 447 N ARG A 43 -3.300 2.809 -4.526 1.00 0.00 N ATOM 448 CA ARG A 43 -3.117 4.199 -5.034 1.00 0.00 C ATOM 449 C ARG A 43 -3.500 5.243 -4.004 1.00 0.00 C ATOM 450 O ARG A 43 -4.619 5.305 -3.538 1.00 0.00 O ATOM 451 CB ARG A 43 -3.971 4.381 -6.289 1.00 0.00 C ATOM 452 CG ARG A 43 -3.274 3.685 -7.464 1.00 0.00 C ATOM 453 CD ARG A 43 -3.093 4.698 -8.600 1.00 0.00 C ATOM 454 NE ARG A 43 -3.702 4.128 -9.835 1.00 0.00 N ATOM 455 CZ ARG A 43 -4.783 4.677 -10.319 1.00 0.00 C ATOM 456 NH1 ARG A 43 -4.683 5.514 -11.313 1.00 0.00 N ATOM 457 NH2 ARG A 43 -5.936 4.380 -9.784 1.00 0.00 N ATOM 0 H ARG A 43 -4.266 2.502 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.060 4.340 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.964 3.958 -6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.106 5.441 -6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.307 3.293 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.867 2.836 -7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.568 5.645 -8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.035 4.905 -8.759 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.281 3.321 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.767 5.734 -11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.521 5.949 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.982 3.728 -9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.791 4.800 -10.149 1.00 0.00 H new ATOM 471 N CYS A 44 -2.531 6.056 -3.689 1.00 0.00 N ATOM 472 CA CYS A 44 -2.779 7.131 -2.697 1.00 0.00 C ATOM 473 C CYS A 44 -3.266 8.392 -3.407 1.00 0.00 C ATOM 474 O CYS A 44 -3.214 8.509 -4.615 1.00 0.00 O ATOM 475 CB CYS A 44 -1.477 7.436 -1.969 1.00 0.00 C ATOM 476 SG CYS A 44 -1.577 7.812 -0.203 1.00 0.00 S ATOM 0 H CYS A 44 -1.587 6.021 -4.073 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.540 6.805 -1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.813 6.580 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.003 8.282 -2.467 1.00 0.00 H new ATOM 481 N ARG A 45 -3.693 9.316 -2.597 1.00 0.00 N ATOM 482 CA ARG A 45 -4.230 10.612 -3.106 1.00 0.00 C ATOM 483 C ARG A 45 -3.116 11.649 -3.220 1.00 0.00 C ATOM 484 O ARG A 45 -2.247 11.699 -2.372 1.00 0.00 O ATOM 485 CB ARG A 45 -5.302 11.082 -2.104 1.00 0.00 C ATOM 486 CG ARG A 45 -4.985 12.499 -1.608 1.00 0.00 C ATOM 487 CD ARG A 45 -5.985 12.865 -0.510 1.00 0.00 C ATOM 488 NE ARG A 45 -5.287 13.735 0.479 1.00 0.00 N ATOM 489 CZ ARG A 45 -5.607 14.998 0.553 1.00 0.00 C ATOM 490 NH1 ARG A 45 -4.757 15.889 0.122 1.00 0.00 N ATOM 491 NH2 ARG A 45 -6.767 15.326 1.051 1.00 0.00 N ATOM 0 H ARG A 45 -3.694 9.228 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.658 10.486 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.284 11.067 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.345 10.395 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.966 12.546 -1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.049 13.211 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.844 13.384 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.364 11.966 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.568 13.348 1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.860 15.594 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.989 16.881 0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.407 14.600 1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.034 16.308 1.117 1.00 0.00 H new ATOM 505 N LEU A 46 -3.145 12.456 -4.252 1.00 0.00 N ATOM 506 CA LEU A 46 -2.049 13.470 -4.332 1.00 0.00 C ATOM 507 C LEU A 46 -2.647 14.856 -4.552 1.00 0.00 C ATOM 508 O LEU A 46 -3.601 14.996 -5.283 1.00 0.00 O ATOM 509 CB LEU A 46 -1.115 13.121 -5.499 1.00 0.00 C ATOM 510 CG LEU A 46 -0.979 11.597 -5.608 1.00 0.00 C ATOM 511 CD1 LEU A 46 -0.369 11.260 -6.971 1.00 0.00 C ATOM 512 CD2 LEU A 46 -0.031 11.105 -4.511 1.00 0.00 C ATOM 0 H LEU A 46 -3.836 12.462 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.483 13.467 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.510 13.529 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.136 13.574 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.954 11.122 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.265 10.179 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.019 11.633 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.612 11.728 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.073 10.022 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.946 11.572 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.436 11.370 -3.534 1.00 0.00 H new ATOM 524 N ARG A 47 -2.127 15.863 -3.905 1.00 0.00 N ATOM 525 CA ARG A 47 -2.717 17.211 -4.146 1.00 0.00 C ATOM 526 C ARG A 47 -1.764 18.332 -3.729 1.00 0.00 C ATOM 527 O ARG A 47 -0.711 18.087 -3.176 1.00 0.00 O ATOM 528 CB ARG A 47 -4.061 17.290 -3.390 1.00 0.00 C ATOM 529 CG ARG A 47 -3.980 18.271 -2.220 1.00 0.00 C ATOM 530 CD ARG A 47 -5.349 18.307 -1.536 1.00 0.00 C ATOM 531 NE ARG A 47 -6.286 19.072 -2.407 1.00 0.00 N ATOM 532 CZ ARG A 47 -6.815 20.179 -1.963 1.00 0.00 C ATOM 533 NH1 ARG A 47 -6.312 21.318 -2.354 1.00 0.00 N ATOM 534 NH2 ARG A 47 -7.828 20.108 -1.144 1.00 0.00 N ATOM 0 H ARG A 47 -1.350 15.818 -3.245 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.888 17.349 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.849 17.602 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.332 16.301 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.210 17.960 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.705 19.264 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.720 17.295 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.272 18.777 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.512 18.733 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.519 21.332 -2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.712 22.194 -2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.193 19.198 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.255 20.962 -0.786 1.00 0.00 H new ATOM 548 N ASP A 48 -2.154 19.539 -4.046 1.00 0.00 N ATOM 549 CA ASP A 48 -1.318 20.723 -3.686 1.00 0.00 C ATOM 550 C ASP A 48 -1.094 20.851 -2.170 1.00 0.00 C ATOM 551 O ASP A 48 -0.707 21.896 -1.688 1.00 0.00 O ATOM 552 CB ASP A 48 -2.034 21.977 -4.203 1.00 0.00 C ATOM 553 CG ASP A 48 -0.995 23.039 -4.580 1.00 0.00 C ATOM 554 OD1 ASP A 48 -0.404 23.573 -3.656 1.00 0.00 O ATOM 555 OD2 ASP A 48 -0.857 23.254 -5.772 1.00 0.00 O ATOM 0 H ASP A 48 -3.019 19.757 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.335 20.602 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.646 21.728 -5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.707 22.366 -3.439 1.00 0.00 H new ATOM 560 N ASP A 49 -1.339 19.790 -1.447 1.00 0.00 N ATOM 561 CA ASP A 49 -1.126 19.836 0.027 1.00 0.00 C ATOM 562 C ASP A 49 -0.202 18.682 0.411 1.00 0.00 C ATOM 563 O ASP A 49 0.936 18.897 0.774 1.00 0.00 O ATOM 564 CB ASP A 49 -2.478 19.692 0.729 1.00 0.00 C ATOM 565 CG ASP A 49 -3.287 20.972 0.494 1.00 0.00 C ATOM 566 OD1 ASP A 49 -2.886 21.974 1.063 1.00 0.00 O ATOM 567 OD2 ASP A 49 -4.254 20.875 -0.245 1.00 0.00 O ATOM 0 H ASP A 49 -1.675 18.899 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.673 20.781 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.016 18.827 0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.335 19.525 1.797 1.00 0.00 H new ATOM 572 N VAL A 50 -0.716 17.482 0.322 1.00 0.00 N ATOM 573 CA VAL A 50 0.112 16.294 0.651 1.00 0.00 C ATOM 574 C VAL A 50 1.397 16.317 -0.178 1.00 0.00 C ATOM 575 O VAL A 50 1.386 16.551 -1.370 1.00 0.00 O ATOM 576 CB VAL A 50 -0.717 15.046 0.340 1.00 0.00 C ATOM 577 CG1 VAL A 50 -2.008 15.117 1.165 1.00 0.00 C ATOM 578 CG2 VAL A 50 -1.091 15.034 -1.141 1.00 0.00 C ATOM 0 H VAL A 50 -1.673 17.278 0.035 1.00 0.00 H new ATOM 0 HA VAL A 50 0.394 16.295 1.704 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.145 14.150 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.619 14.237 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.760 15.149 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.564 16.015 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.681 14.144 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.675 15.924 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.184 15.025 -1.745 1.00 0.00 H new ATOM 588 N GLN A 51 2.476 16.078 0.508 1.00 0.00 N ATOM 589 CA GLN A 51 3.814 16.072 -0.144 1.00 0.00 C ATOM 590 C GLN A 51 4.487 14.731 0.128 1.00 0.00 C ATOM 591 O GLN A 51 5.329 14.288 -0.625 1.00 0.00 O ATOM 592 CB GLN A 51 4.667 17.188 0.460 1.00 0.00 C ATOM 593 CG GLN A 51 3.851 18.479 0.473 1.00 0.00 C ATOM 594 CD GLN A 51 4.625 19.547 1.246 1.00 0.00 C ATOM 595 OE1 GLN A 51 5.764 19.846 0.951 1.00 0.00 O ATOM 596 NE2 GLN A 51 4.034 20.145 2.243 1.00 0.00 N ATOM 0 H GLN A 51 2.489 15.883 1.509 1.00 0.00 H new ATOM 0 HA GLN A 51 3.708 16.226 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.972 16.924 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.578 17.323 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.661 18.815 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.880 18.307 0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.077 19.895 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.529 20.862 2.773 1.00 0.00 H new ATOM 605 N SER A 52 4.091 14.115 1.211 1.00 0.00 N ATOM 606 CA SER A 52 4.695 12.805 1.560 1.00 0.00 C ATOM 607 C SER A 52 3.589 11.769 1.574 1.00 0.00 C ATOM 608 O SER A 52 2.566 11.973 2.197 1.00 0.00 O ATOM 609 CB SER A 52 5.309 12.887 2.960 1.00 0.00 C ATOM 610 OG SER A 52 5.791 11.570 3.189 1.00 0.00 O ATOM 0 H SER A 52 3.384 14.461 1.859 1.00 0.00 H new ATOM 0 HA SER A 52 5.467 12.540 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.113 13.622 3.003 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.570 13.179 3.706 1.00 0.00 H new ATOM 0 HG SER A 52 5.104 11.046 3.651 1.00 0.00 H new ATOM 616 N ILE A 53 3.794 10.712 0.846 1.00 0.00 N ATOM 617 CA ILE A 53 2.771 9.643 0.834 1.00 0.00 C ATOM 618 C ILE A 53 3.383 8.450 1.551 1.00 0.00 C ATOM 619 O ILE A 53 4.302 7.820 1.068 1.00 0.00 O ATOM 620 CB ILE A 53 2.480 9.284 -0.599 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.927 10.510 -1.348 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.466 8.140 -0.645 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.671 11.028 -0.640 1.00 0.00 C ATOM 0 H ILE A 53 4.616 10.545 0.266 1.00 0.00 H new ATOM 0 HA ILE A 53 1.845 9.952 1.319 1.00 0.00 H new ATOM 0 HB ILE A 53 3.403 8.965 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.683 11.295 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.691 10.242 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.256 7.881 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.875 7.271 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.543 8.452 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.284 11.896 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.087 10.244 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.921 11.313 0.382 1.00 0.00 H new ATOM 635 N ASN A 54 2.844 8.178 2.702 1.00 0.00 N ATOM 636 CA ASN A 54 3.362 7.041 3.504 1.00 0.00 C ATOM 637 C ASN A 54 2.381 5.895 3.320 1.00 0.00 C ATOM 638 O ASN A 54 1.190 6.117 3.333 1.00 0.00 O ATOM 639 CB ASN A 54 3.383 7.440 4.981 1.00 0.00 C ATOM 640 CG ASN A 54 3.112 8.937 5.130 1.00 0.00 C ATOM 641 OD1 ASN A 54 3.784 9.779 4.564 1.00 0.00 O ATOM 642 ND2 ASN A 54 2.119 9.282 5.901 1.00 0.00 N ATOM 0 H ASN A 54 2.069 8.692 3.121 1.00 0.00 H new ATOM 0 HA ASN A 54 4.368 6.761 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.632 6.871 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.351 7.193 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.897 10.268 6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.564 8.566 6.369 1.00 0.00 H new ATOM 649 N TRP A 55 2.868 4.701 3.159 1.00 0.00 N ATOM 650 CA TRP A 55 1.920 3.569 2.984 1.00 0.00 C ATOM 651 C TRP A 55 1.829 2.782 4.289 1.00 0.00 C ATOM 652 O TRP A 55 2.768 2.116 4.672 1.00 0.00 O ATOM 653 CB TRP A 55 2.443 2.675 1.863 1.00 0.00 C ATOM 654 CG TRP A 55 2.229 3.411 0.540 1.00 0.00 C ATOM 655 CD1 TRP A 55 3.139 4.191 -0.101 1.00 0.00 C ATOM 656 CD2 TRP A 55 1.084 3.413 -0.159 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.470 4.618 -1.158 1.00 0.00 N ATOM 658 CE2 TRP A 55 1.216 4.206 -1.277 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.095 2.747 0.097 1.00 0.00 C ATOM 660 CZ2 TRP A 55 0.156 4.344 -2.147 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.158 2.885 -0.776 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.030 3.686 -1.897 1.00 0.00 C ATOM 0 H TRP A 55 3.859 4.461 3.141 1.00 0.00 H new ATOM 0 HA TRP A 55 0.926 3.936 2.727 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.500 2.455 2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.917 1.720 1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.158 4.408 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.898 5.235 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.188 2.122 0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 0.254 4.967 -3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.087 2.369 -0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.861 3.796 -2.578 1.00 0.00 H new ATOM 673 N LEU A 56 0.675 2.798 4.900 1.00 0.00 N ATOM 674 CA LEU A 56 0.530 2.071 6.187 1.00 0.00 C ATOM 675 C LEU A 56 0.388 0.591 5.850 1.00 0.00 C ATOM 676 O LEU A 56 -0.698 0.118 5.581 1.00 0.00 O ATOM 677 CB LEU A 56 -0.766 2.506 6.886 1.00 0.00 C ATOM 678 CG LEU A 56 -0.703 3.969 7.327 1.00 0.00 C ATOM 679 CD1 LEU A 56 -2.127 4.405 7.688 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.158 4.076 8.586 1.00 0.00 C ATOM 0 H LEU A 56 -0.162 3.277 4.567 1.00 0.00 H new ATOM 0 HA LEU A 56 1.386 2.273 6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.610 2.365 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.943 1.871 7.754 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.284 4.589 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.118 5.447 8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.772 4.298 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.505 3.780 8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.207 5.117 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.282 3.473 9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.164 3.715 8.371 1.00 0.00 H new ATOM 692 N ARG A 57 1.497 -0.095 5.853 1.00 0.00 N ATOM 693 CA ARG A 57 1.444 -1.544 5.519 1.00 0.00 C ATOM 694 C ARG A 57 0.993 -2.283 6.764 1.00 0.00 C ATOM 695 O ARG A 57 1.257 -1.834 7.859 1.00 0.00 O ATOM 696 CB ARG A 57 2.840 -2.021 5.116 1.00 0.00 C ATOM 697 CG ARG A 57 2.791 -3.534 4.859 1.00 0.00 C ATOM 698 CD ARG A 57 3.186 -4.296 6.129 1.00 0.00 C ATOM 699 NE ARG A 57 4.649 -4.584 6.068 1.00 0.00 N ATOM 700 CZ ARG A 57 5.306 -4.906 7.147 1.00 0.00 C ATOM 701 NH1 ARG A 57 4.680 -5.019 8.287 1.00 0.00 N ATOM 702 NH2 ARG A 57 6.587 -5.102 7.016 1.00 0.00 N ATOM 0 H ARG A 57 2.422 0.277 6.068 1.00 0.00 H new ATOM 0 HA ARG A 57 0.757 -1.728 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.174 -1.497 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.558 -1.795 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.788 -3.826 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.466 -3.795 4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.952 -3.705 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.619 -5.224 6.207 1.00 0.00 H new ATOM 0 HE ARG A 57 5.139 -4.528 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.674 -4.855 8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.197 -5.271 9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.027 -5.001 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.150 -5.356 7.828 1.00 0.00 H new ATOM 716 N ASP A 58 0.258 -3.341 6.560 1.00 0.00 N ATOM 717 CA ASP A 58 -0.237 -4.154 7.710 1.00 0.00 C ATOM 718 C ASP A 58 -1.145 -3.298 8.591 1.00 0.00 C ATOM 719 O ASP A 58 -2.343 -3.501 8.611 1.00 0.00 O ATOM 720 CB ASP A 58 0.962 -4.656 8.526 1.00 0.00 C ATOM 721 CG ASP A 58 0.447 -5.444 9.733 1.00 0.00 C ATOM 722 OD1 ASP A 58 -0.147 -6.481 9.488 1.00 0.00 O ATOM 723 OD2 ASP A 58 0.676 -4.960 10.829 1.00 0.00 O ATOM 0 H ASP A 58 -0.024 -3.681 5.640 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.805 -5.007 7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.600 -5.288 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.571 -3.815 8.857 1.00 0.00 H new ATOM 728 N GLY A 59 -0.537 -2.394 9.314 1.00 0.00 N ATOM 729 CA GLY A 59 -1.309 -1.472 10.194 1.00 0.00 C ATOM 730 C GLY A 59 -0.397 -0.351 10.721 1.00 0.00 C ATOM 731 O GLY A 59 -0.688 0.259 11.730 1.00 0.00 O ATOM 0 H GLY A 59 0.473 -2.255 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.143 -1.042 9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.735 -2.027 11.030 1.00 0.00 H new ATOM 735 N VAL A 60 0.683 -0.099 10.025 1.00 0.00 N ATOM 736 CA VAL A 60 1.628 0.968 10.477 1.00 0.00 C ATOM 737 C VAL A 60 2.318 1.615 9.271 1.00 0.00 C ATOM 738 O VAL A 60 2.370 1.036 8.202 1.00 0.00 O ATOM 739 CB VAL A 60 2.690 0.330 11.388 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.636 1.419 11.905 1.00 0.00 C ATOM 741 CG2 VAL A 60 2.002 -0.329 12.589 1.00 0.00 C ATOM 0 H VAL A 60 0.951 -0.583 9.168 1.00 0.00 H new ATOM 0 HA VAL A 60 1.075 1.736 11.017 1.00 0.00 H new ATOM 0 HB VAL A 60 3.249 -0.415 10.822 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.390 0.969 12.551 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.125 1.907 11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.067 2.157 12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.754 -0.782 13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.448 0.424 13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.315 -1.099 12.237 1.00 0.00 H new ATOM 751 N GLN A 61 2.854 2.792 9.474 1.00 0.00 N ATOM 752 CA GLN A 61 3.536 3.479 8.339 1.00 0.00 C ATOM 753 C GLN A 61 4.565 2.573 7.701 1.00 0.00 C ATOM 754 O GLN A 61 5.351 1.922 8.359 1.00 0.00 O ATOM 755 CB GLN A 61 4.248 4.739 8.811 1.00 0.00 C ATOM 756 CG GLN A 61 5.436 4.369 9.709 1.00 0.00 C ATOM 757 CD GLN A 61 6.697 5.035 9.150 1.00 0.00 C ATOM 758 OE1 GLN A 61 7.301 5.880 9.780 1.00 0.00 O ATOM 759 NE2 GLN A 61 7.122 4.684 7.966 1.00 0.00 N ATOM 0 H GLN A 61 2.849 3.298 10.360 1.00 0.00 H new ATOM 0 HA GLN A 61 2.764 3.738 7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.596 5.313 7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.553 5.375 9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.255 4.700 10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.563 3.287 9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.619 3.975 7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.957 5.119 7.574 1.00 0.00 H new ATOM 768 N LEU A 62 4.492 2.519 6.407 1.00 0.00 N ATOM 769 CA LEU A 62 5.460 1.662 5.697 1.00 0.00 C ATOM 770 C LEU A 62 5.585 1.999 4.226 1.00 0.00 C ATOM 771 O LEU A 62 5.175 3.027 3.726 1.00 0.00 O ATOM 772 CB LEU A 62 4.997 0.216 5.820 1.00 0.00 C ATOM 773 CG LEU A 62 6.068 -0.560 6.614 1.00 0.00 C ATOM 774 CD1 LEU A 62 5.552 -1.958 6.940 1.00 0.00 C ATOM 775 CD2 LEU A 62 7.334 -0.701 5.762 1.00 0.00 C ATOM 0 H LEU A 62 3.820 3.019 5.824 1.00 0.00 H new ATOM 0 HA LEU A 62 6.437 1.824 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.034 0.166 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.859 -0.226 4.833 1.00 0.00 H new ATOM 0 HG LEU A 62 6.289 -0.018 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.310 -2.504 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.644 -1.880 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.332 -2.490 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.091 -1.249 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.098 -1.243 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.715 0.289 5.510 1.00 0.00 H new ATOM 787 N VAL A 63 6.190 1.028 3.614 1.00 0.00 N ATOM 788 CA VAL A 63 6.440 1.019 2.151 1.00 0.00 C ATOM 789 C VAL A 63 6.704 -0.427 1.727 1.00 0.00 C ATOM 790 O VAL A 63 6.063 -1.344 2.203 1.00 0.00 O ATOM 791 CB VAL A 63 7.655 1.876 1.813 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.383 3.341 2.172 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.870 1.386 2.610 1.00 0.00 C ATOM 0 H VAL A 63 6.539 0.198 4.094 1.00 0.00 H new ATOM 0 HA VAL A 63 5.576 1.426 1.626 1.00 0.00 H new ATOM 0 HB VAL A 63 7.854 1.795 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.257 3.944 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.524 3.701 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.175 3.422 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.737 2.000 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.660 1.462 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.078 0.347 2.354 1.00 0.00 H new ATOM 843 N ARG A 67 8.644 -7.662 -1.606 1.00 0.00 N ATOM 844 CA ARG A 67 8.559 -7.475 -3.083 1.00 0.00 C ATOM 845 C ARG A 67 7.496 -6.434 -3.449 1.00 0.00 C ATOM 846 O ARG A 67 6.407 -6.765 -3.880 1.00 0.00 O ATOM 847 CB ARG A 67 8.198 -8.816 -3.737 1.00 0.00 C ATOM 848 CG ARG A 67 9.245 -9.869 -3.351 1.00 0.00 C ATOM 849 CD ARG A 67 10.562 -9.555 -4.065 1.00 0.00 C ATOM 850 NE ARG A 67 11.559 -10.589 -3.668 1.00 0.00 N ATOM 851 CZ ARG A 67 12.035 -11.403 -4.571 1.00 0.00 C ATOM 852 NH1 ARG A 67 13.259 -11.237 -4.989 1.00 0.00 N ATOM 853 NH2 ARG A 67 11.269 -12.357 -5.024 1.00 0.00 N ATOM 0 HA ARG A 67 9.525 -7.121 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.208 -9.136 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.159 -8.706 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.395 -9.872 -2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.896 -10.864 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.420 -9.558 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.915 -8.560 -3.793 1.00 0.00 H new ATOM 0 HE ARG A 67 11.867 -10.660 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.829 -10.480 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.647 -11.864 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.317 -12.457 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.622 -13.003 -5.730 1.00 0.00 H new ATOM 867 N THR A 68 7.809 -5.185 -3.230 1.00 0.00 N ATOM 868 CA THR A 68 6.821 -4.145 -3.600 1.00 0.00 C ATOM 869 C THR A 68 7.579 -2.929 -4.120 1.00 0.00 C ATOM 870 O THR A 68 8.613 -2.557 -3.601 1.00 0.00 O ATOM 871 CB THR A 68 5.977 -3.785 -2.367 1.00 0.00 C ATOM 872 OG1 THR A 68 6.393 -2.478 -1.999 1.00 0.00 O ATOM 873 CG2 THR A 68 6.360 -4.658 -1.170 1.00 0.00 C ATOM 0 H THR A 68 8.682 -4.851 -2.822 1.00 0.00 H new ATOM 0 HA THR A 68 6.148 -4.506 -4.378 1.00 0.00 H new ATOM 0 HB THR A 68 4.918 -3.897 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.338 -2.379 -1.026 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.749 -4.384 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.192 -5.707 -1.416 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.412 -4.506 -0.931 1.00 0.00 H new ATOM 881 N ARG A 69 7.034 -2.348 -5.146 1.00 0.00 N ATOM 882 CA ARG A 69 7.666 -1.147 -5.738 1.00 0.00 C ATOM 883 C ARG A 69 6.875 0.028 -5.189 1.00 0.00 C ATOM 884 O ARG A 69 5.892 0.455 -5.763 1.00 0.00 O ATOM 885 CB ARG A 69 7.546 -1.218 -7.260 1.00 0.00 C ATOM 886 CG ARG A 69 8.617 -0.311 -7.864 1.00 0.00 C ATOM 887 CD ARG A 69 8.442 -0.292 -9.383 1.00 0.00 C ATOM 888 NE ARG A 69 9.469 0.622 -9.957 1.00 0.00 N ATOM 889 CZ ARG A 69 9.085 1.686 -10.608 1.00 0.00 C ATOM 890 NH1 ARG A 69 9.247 1.726 -11.902 1.00 0.00 N ATOM 891 NH2 ARG A 69 8.551 2.674 -9.943 1.00 0.00 N ATOM 0 H ARG A 69 6.174 -2.656 -5.601 1.00 0.00 H new ATOM 0 HA ARG A 69 8.725 -1.060 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.677 -2.244 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.554 -0.899 -7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.529 0.698 -7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.611 -0.674 -7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.555 -1.296 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.440 0.048 -9.646 1.00 0.00 H new ATOM 0 HE ARG A 69 10.462 0.418 -9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.668 0.934 -12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.953 2.549 -12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.440 2.607 -8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.245 3.513 -10.435 1.00 0.00 H new ATOM 905 N ILE A 70 7.263 0.443 -4.018 1.00 0.00 N ATOM 906 CA ILE A 70 6.551 1.591 -3.394 1.00 0.00 C ATOM 907 C ILE A 70 6.995 2.928 -3.961 1.00 0.00 C ATOM 908 O ILE A 70 8.152 3.291 -3.878 1.00 0.00 O ATOM 909 CB ILE A 70 6.866 1.653 -1.906 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.371 1.374 -1.704 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.064 0.599 -1.151 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.076 2.608 -1.159 1.00 0.00 C ATOM 0 H ILE A 70 8.028 0.046 -3.473 1.00 0.00 H new ATOM 0 HA ILE A 70 5.492 1.429 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 70 6.604 2.640 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.502 0.539 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.822 1.079 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.299 0.655 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.999 0.779 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.320 -0.391 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.136 2.392 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.961 3.433 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.637 2.885 -0.201 1.00 0.00 H new ATOM 924 N THR A 71 6.064 3.629 -4.543 1.00 0.00 N ATOM 925 CA THR A 71 6.414 4.973 -5.059 1.00 0.00 C ATOM 926 C THR A 71 5.690 6.012 -4.187 1.00 0.00 C ATOM 927 O THR A 71 4.591 5.781 -3.718 1.00 0.00 O ATOM 928 CB THR A 71 5.969 5.120 -6.513 1.00 0.00 C ATOM 929 OG1 THR A 71 4.648 5.621 -6.404 1.00 0.00 O ATOM 930 CG2 THR A 71 5.829 3.756 -7.203 1.00 0.00 C ATOM 0 H THR A 71 5.097 3.335 -4.680 1.00 0.00 H new ATOM 0 HA THR A 71 7.493 5.119 -5.020 1.00 0.00 H new ATOM 0 HB THR A 71 6.677 5.731 -7.073 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.015 4.873 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.511 3.901 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.789 3.241 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.087 3.156 -6.676 1.00 0.00 H new ATOM 938 N GLY A 72 6.357 7.115 -3.977 1.00 0.00 N ATOM 939 CA GLY A 72 5.807 8.233 -3.150 1.00 0.00 C ATOM 940 C GLY A 72 4.339 8.596 -3.421 1.00 0.00 C ATOM 941 O GLY A 72 3.856 9.582 -2.901 1.00 0.00 O ATOM 0 H GLY A 72 7.287 7.294 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.909 7.968 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.419 9.120 -3.316 1.00 0.00 H new ATOM 945 N GLU A 73 3.673 7.860 -4.267 1.00 0.00 N ATOM 946 CA GLU A 73 2.234 8.161 -4.526 1.00 0.00 C ATOM 947 C GLU A 73 1.440 6.878 -4.808 1.00 0.00 C ATOM 948 O GLU A 73 0.248 6.807 -4.580 1.00 0.00 O ATOM 949 CB GLU A 73 2.136 9.092 -5.736 1.00 0.00 C ATOM 950 CG GLU A 73 2.917 8.477 -6.904 1.00 0.00 C ATOM 951 CD GLU A 73 2.816 9.406 -8.116 1.00 0.00 C ATOM 952 OE1 GLU A 73 1.711 9.517 -8.621 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.851 9.949 -8.468 1.00 0.00 O ATOM 0 H GLU A 73 4.057 7.070 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 73 1.811 8.635 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.093 9.237 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.539 10.074 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.961 8.334 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.515 7.494 -7.149 1.00 0.00 H new ATOM 960 N GLU A 74 2.114 5.868 -5.283 1.00 0.00 N ATOM 961 CA GLU A 74 1.401 4.607 -5.604 1.00 0.00 C ATOM 962 C GLU A 74 2.299 3.450 -5.209 1.00 0.00 C ATOM 963 O GLU A 74 3.501 3.503 -5.360 1.00 0.00 O ATOM 964 CB GLU A 74 1.143 4.563 -7.114 1.00 0.00 C ATOM 965 CG GLU A 74 0.644 3.165 -7.501 1.00 0.00 C ATOM 966 CD GLU A 74 0.624 3.043 -9.027 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.127 3.798 -9.622 1.00 0.00 O ATOM 968 OE2 GLU A 74 1.365 2.202 -9.510 1.00 0.00 O ATOM 0 H GLU A 74 3.118 5.863 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 74 0.452 4.546 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.404 5.315 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.057 4.799 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.293 2.402 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.355 2.997 -7.098 1.00 0.00 H new ATOM 975 N VAL A 75 1.708 2.425 -4.680 1.00 0.00 N ATOM 976 CA VAL A 75 2.540 1.261 -4.290 1.00 0.00 C ATOM 977 C VAL A 75 2.141 0.037 -5.091 1.00 0.00 C ATOM 978 O VAL A 75 0.985 -0.334 -5.116 1.00 0.00 O ATOM 979 CB VAL A 75 2.339 1.013 -2.807 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.849 -0.384 -2.447 1.00 0.00 C ATOM 981 CG2 VAL A 75 3.158 2.057 -2.071 1.00 0.00 C ATOM 0 H VAL A 75 0.707 2.340 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 75 3.591 1.465 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 75 1.285 1.077 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.704 -0.561 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.297 -1.131 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.910 -0.457 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.044 1.917 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.209 1.952 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.810 3.053 -2.346 1.00 0.00 H new ATOM 991 N GLU A 76 3.106 -0.505 -5.781 1.00 0.00 N ATOM 992 CA GLU A 76 2.832 -1.741 -6.577 1.00 0.00 C ATOM 993 C GLU A 76 3.384 -2.945 -5.811 1.00 0.00 C ATOM 994 O GLU A 76 4.562 -3.223 -5.872 1.00 0.00 O ATOM 995 CB GLU A 76 3.527 -1.617 -7.934 1.00 0.00 C ATOM 996 CG GLU A 76 3.002 -0.361 -8.638 1.00 0.00 C ATOM 997 CD GLU A 76 3.713 -0.207 -9.986 1.00 0.00 C ATOM 998 OE1 GLU A 76 4.920 -0.039 -9.943 1.00 0.00 O ATOM 999 OE2 GLU A 76 3.005 -0.265 -10.978 1.00 0.00 O ATOM 0 H GLU A 76 4.062 -0.153 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 76 1.761 -1.870 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.607 -1.553 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.332 -2.501 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.925 -0.436 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.177 0.518 -8.018 1.00 0.00 H new ATOM 1006 N VAL A 77 2.512 -3.680 -5.174 1.00 0.00 N ATOM 1007 CA VAL A 77 2.981 -4.841 -4.365 1.00 0.00 C ATOM 1008 C VAL A 77 2.681 -6.125 -5.120 1.00 0.00 C ATOM 1009 O VAL A 77 1.663 -6.249 -5.765 1.00 0.00 O ATOM 1010 CB VAL A 77 2.204 -4.895 -3.039 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.945 -5.788 -2.042 1.00 0.00 C ATOM 1012 CG2 VAL A 77 2.052 -3.499 -2.449 1.00 0.00 C ATOM 0 H VAL A 77 1.503 -3.528 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 77 4.050 -4.735 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 77 1.213 -5.305 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.391 -5.824 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.032 -6.795 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.940 -5.383 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.500 -3.558 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.038 -3.073 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.509 -2.865 -3.150 1.00 0.00 H new ATOM 1022 N ARG A 78 3.565 -7.071 -5.033 1.00 0.00 N ATOM 1023 CA ARG A 78 3.285 -8.346 -5.740 1.00 0.00 C ATOM 1024 C ARG A 78 2.398 -9.198 -4.835 1.00 0.00 C ATOM 1025 O ARG A 78 2.807 -9.611 -3.767 1.00 0.00 O ATOM 1026 CB ARG A 78 4.618 -9.049 -6.017 1.00 0.00 C ATOM 1027 CG ARG A 78 5.320 -8.348 -7.196 1.00 0.00 C ATOM 1028 CD ARG A 78 5.122 -6.829 -7.078 1.00 0.00 C ATOM 1029 NE ARG A 78 6.072 -6.148 -8.003 1.00 0.00 N ATOM 1030 CZ ARG A 78 7.181 -5.648 -7.529 1.00 0.00 C ATOM 1031 NH1 ARG A 78 8.311 -6.206 -7.870 1.00 0.00 N ATOM 1032 NH2 ARG A 78 7.138 -4.611 -6.734 1.00 0.00 N ATOM 0 H ARG A 78 4.445 -7.023 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 78 2.775 -8.177 -6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.251 -9.019 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.448 -10.100 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.383 -8.588 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.913 -8.707 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.095 -6.562 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.296 -6.504 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 78 5.858 -6.073 -8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.313 -7.014 -8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.191 -5.834 -7.513 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.240 -4.195 -6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.002 -4.218 -6.362 1.00 0.00 H new ATOM 1046 N ASP A 79 1.191 -9.446 -5.275 1.00 0.00 N ATOM 1047 CA ASP A 79 0.288 -10.278 -4.433 1.00 0.00 C ATOM 1048 C ASP A 79 0.665 -11.743 -4.627 1.00 0.00 C ATOM 1049 O ASP A 79 -0.133 -12.612 -4.913 1.00 0.00 O ATOM 1050 CB ASP A 79 -1.161 -10.052 -4.839 1.00 0.00 C ATOM 1051 CG ASP A 79 -2.015 -10.290 -3.591 1.00 0.00 C ATOM 1052 OD1 ASP A 79 -2.089 -11.444 -3.205 1.00 0.00 O ATOM 1053 OD2 ASP A 79 -2.522 -9.306 -3.081 1.00 0.00 O ATOM 0 H ASP A 79 0.801 -9.117 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 79 0.396 -10.001 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.303 -9.039 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.449 -10.734 -5.639 1.00 0.00 H new ATOM 1058 N SER A 80 1.947 -11.933 -4.541 1.00 0.00 N ATOM 1059 CA SER A 80 2.544 -13.289 -4.662 1.00 0.00 C ATOM 1060 C SER A 80 3.386 -13.604 -3.421 1.00 0.00 C ATOM 1061 O SER A 80 3.854 -14.716 -3.264 1.00 0.00 O ATOM 1062 CB SER A 80 3.439 -13.313 -5.903 1.00 0.00 C ATOM 1063 OG SER A 80 3.989 -14.622 -5.902 1.00 0.00 O ATOM 0 H SER A 80 2.625 -11.186 -4.388 1.00 0.00 H new ATOM 0 HA SER A 80 1.753 -14.034 -4.749 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.868 -13.120 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.218 -12.552 -5.849 1.00 0.00 H new ATOM 0 HG SER A 80 3.861 -15.030 -5.020 1.00 0.00 H new ATOM 1069 N ILE A 81 3.567 -12.634 -2.561 1.00 0.00 N ATOM 1070 CA ILE A 81 4.393 -12.900 -1.352 1.00 0.00 C ATOM 1071 C ILE A 81 3.682 -12.376 -0.103 1.00 0.00 C ATOM 1072 O ILE A 81 2.742 -11.616 -0.198 1.00 0.00 O ATOM 1073 CB ILE A 81 5.732 -12.171 -1.527 1.00 0.00 C ATOM 1074 CG1 ILE A 81 5.457 -10.713 -1.918 1.00 0.00 C ATOM 1075 CG2 ILE A 81 6.519 -12.847 -2.654 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.493 -9.829 -1.228 1.00 0.00 C ATOM 0 H ILE A 81 3.187 -11.691 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 81 4.551 -13.972 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 81 6.302 -12.207 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.515 -10.592 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.450 -10.423 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.473 -12.337 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.698 -13.891 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.946 -12.794 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.316 -8.787 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.411 -9.948 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.493 -10.120 -1.551 1.00 0.00 H new ATOM 1088 N PRO A 82 4.171 -12.754 1.048 1.00 0.00 N ATOM 1089 CA PRO A 82 3.707 -12.169 2.323 1.00 0.00 C ATOM 1090 C PRO A 82 3.236 -10.714 2.172 1.00 0.00 C ATOM 1091 O PRO A 82 2.253 -10.323 2.761 1.00 0.00 O ATOM 1092 CB PRO A 82 4.918 -12.306 3.250 1.00 0.00 C ATOM 1093 CG PRO A 82 5.820 -13.424 2.629 1.00 0.00 C ATOM 1094 CD PRO A 82 5.280 -13.722 1.211 1.00 0.00 C ATOM 0 HA PRO A 82 2.827 -12.678 2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.461 -11.364 3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.607 -12.573 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.859 -13.097 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.796 -14.323 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.049 -13.581 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.930 -14.751 1.124 1.00 0.00 H new ATOM 1102 N ALA A 83 3.907 -9.955 1.349 1.00 0.00 N ATOM 1103 CA ALA A 83 3.511 -8.524 1.156 1.00 0.00 C ATOM 1104 C ALA A 83 1.999 -8.287 0.960 1.00 0.00 C ATOM 1105 O ALA A 83 1.526 -7.183 1.135 1.00 0.00 O ATOM 1106 CB ALA A 83 4.259 -7.980 -0.060 1.00 0.00 C ATOM 0 H ALA A 83 4.711 -10.260 0.801 1.00 0.00 H new ATOM 0 HA ALA A 83 3.773 -8.006 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.985 -6.937 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.333 -8.051 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.993 -8.564 -0.942 1.00 0.00 H new ATOM 1112 N ASP A 84 1.276 -9.298 0.562 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.196 -9.128 0.347 1.00 0.00 C ATOM 1114 C ASP A 84 -1.066 -9.580 1.534 1.00 0.00 C ATOM 1115 O ASP A 84 -2.271 -9.661 1.415 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.569 -9.953 -0.874 1.00 0.00 C ATOM 1117 CG ASP A 84 0.188 -11.283 -0.794 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.310 -11.760 0.322 1.00 0.00 O ATOM 1119 OD2 ASP A 84 0.594 -11.746 -1.846 1.00 0.00 O ATOM 0 H ASP A 84 1.637 -10.234 0.376 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.390 -8.063 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.645 -10.127 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.308 -9.420 -1.788 1.00 0.00 H new ATOM 1124 N SER A 85 -0.442 -9.987 2.604 1.00 0.00 N ATOM 1125 CA SER A 85 -1.214 -10.414 3.810 1.00 0.00 C ATOM 1126 C SER A 85 -1.306 -9.319 4.893 1.00 0.00 C ATOM 1127 O SER A 85 -0.584 -9.377 5.868 1.00 0.00 O ATOM 1128 CB SER A 85 -0.531 -11.652 4.399 1.00 0.00 C ATOM 1129 OG SER A 85 -1.384 -12.032 5.469 1.00 0.00 O ATOM 0 H SER A 85 0.572 -10.043 2.698 1.00 0.00 H new ATOM 0 HA SER A 85 -2.235 -10.626 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.438 -12.447 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.475 -11.425 4.751 1.00 0.00 H new ATOM 0 HG SER A 85 -1.021 -12.829 5.910 1.00 0.00 H new ATOM 1135 N GLY A 86 -2.164 -8.342 4.731 1.00 0.00 N ATOM 1136 CA GLY A 86 -2.257 -7.297 5.797 1.00 0.00 C ATOM 1137 C GLY A 86 -3.066 -6.071 5.351 1.00 0.00 C ATOM 1138 O GLY A 86 -3.599 -6.019 4.260 1.00 0.00 O ATOM 0 H GLY A 86 -2.787 -8.223 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.718 -7.729 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.253 -6.982 6.081 1.00 0.00 H new ATOM 1142 N LEU A 87 -3.154 -5.090 6.212 1.00 0.00 N ATOM 1143 CA LEU A 87 -3.924 -3.883 5.811 1.00 0.00 C ATOM 1144 C LEU A 87 -2.957 -2.940 5.101 1.00 0.00 C ATOM 1145 O LEU A 87 -1.972 -2.512 5.668 1.00 0.00 O ATOM 1146 CB LEU A 87 -4.494 -3.207 7.062 1.00 0.00 C ATOM 1147 CG LEU A 87 -5.785 -2.468 6.693 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -6.454 -1.974 7.980 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -5.435 -1.254 5.827 1.00 0.00 C ATOM 0 H LEU A 87 -2.740 -5.072 7.144 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.751 -4.146 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.695 -3.951 7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.767 -2.508 7.476 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.454 -3.135 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.375 -1.446 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.685 -2.826 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.779 -1.299 8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.348 -0.722 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.777 -0.587 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.931 -1.587 4.920 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.246 -2.659 3.861 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.353 -1.748 3.101 1.00 0.00 C ATOM 1163 C TYR A 88 -3.077 -0.438 2.877 1.00 0.00 C ATOM 1164 O TYR A 88 -3.736 -0.218 1.880 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.002 -2.392 1.772 1.00 0.00 C ATOM 1166 CG TYR A 88 -0.973 -3.470 2.087 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.385 -4.709 2.529 1.00 0.00 C ATOM 1168 CD2 TYR A 88 0.374 -3.188 2.029 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.464 -5.655 2.918 1.00 0.00 C ATOM 1170 CE2 TYR A 88 1.300 -4.130 2.423 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.888 -5.369 2.875 1.00 0.00 C ATOM 1172 OH TYR A 88 1.813 -6.293 3.316 1.00 0.00 O ATOM 0 H TYR A 88 -4.052 -3.017 3.348 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.433 -1.561 3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.886 -2.822 1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.597 -1.657 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.439 -4.939 2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.706 -2.224 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.799 -6.624 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.354 -3.898 2.378 1.00 0.00 H new ATOM 0 HH TYR A 88 2.385 -6.566 2.568 1.00 0.00 H new ATOM 1182 N ALA A 89 -2.921 0.413 3.843 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.582 1.734 3.745 1.00 0.00 C ATOM 1184 C ALA A 89 -2.501 2.742 3.396 1.00 0.00 C ATOM 1185 O ALA A 89 -1.330 2.426 3.399 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.209 2.076 5.096 1.00 0.00 C ATOM 0 H ALA A 89 -2.371 0.254 4.687 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.367 1.739 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.699 3.048 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.944 1.315 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.432 2.109 5.860 1.00 0.00 H new ATOM 1192 N CYS A 90 -2.923 3.920 3.053 1.00 0.00 N ATOM 1193 CA CYS A 90 -1.933 4.971 2.718 1.00 0.00 C ATOM 1194 C CYS A 90 -2.332 6.275 3.377 1.00 0.00 C ATOM 1195 O CYS A 90 -3.500 6.583 3.498 1.00 0.00 O ATOM 1196 CB CYS A 90 -1.897 5.176 1.221 1.00 0.00 C ATOM 1197 SG CYS A 90 -0.581 6.260 0.614 1.00 0.00 S ATOM 0 H CYS A 90 -3.902 4.200 2.990 1.00 0.00 H new ATOM 0 HA CYS A 90 -0.951 4.660 3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.792 4.203 0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -2.856 5.586 0.905 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.324 7.006 3.754 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.549 8.314 4.416 1.00 0.00 C ATOM 1204 C VAL A 91 -0.832 9.399 3.624 1.00 0.00 C ATOM 1205 O VAL A 91 0.351 9.319 3.366 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.975 8.267 5.828 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.250 9.600 6.526 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.655 7.149 6.613 1.00 0.00 C ATOM 0 H VAL A 91 -0.345 6.749 3.630 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.617 8.528 4.459 1.00 0.00 H new ATOM 0 HB VAL A 91 0.099 8.085 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.842 9.573 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.779 10.408 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.325 9.771 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.247 7.113 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.727 7.339 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.478 6.195 6.116 1.00 0.00 H new ATOM 1218 N THR A 92 -1.593 10.394 3.283 1.00 0.00 N ATOM 1219 CA THR A 92 -1.046 11.542 2.516 1.00 0.00 C ATOM 1220 C THR A 92 -0.837 12.625 3.564 1.00 0.00 C ATOM 1221 O THR A 92 -1.776 12.993 4.239 1.00 0.00 O ATOM 1222 CB THR A 92 -2.089 11.979 1.482 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.170 12.481 2.256 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.681 10.759 0.769 1.00 0.00 C ATOM 0 H THR A 92 -2.586 10.463 3.506 1.00 0.00 H new ATOM 0 HA THR A 92 -0.124 11.316 1.980 1.00 0.00 H new ATOM 0 HB THR A 92 -1.646 12.671 0.766 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.936 12.445 3.207 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.420 11.088 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.886 10.213 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.159 10.107 1.500 1.00 0.00 H new ATOM 1232 N SER A 93 0.378 13.080 3.696 1.00 0.00 N ATOM 1233 CA SER A 93 0.656 14.106 4.741 1.00 0.00 C ATOM 1234 C SER A 93 1.302 15.373 4.184 1.00 0.00 C ATOM 1235 O SER A 93 2.033 15.341 3.211 1.00 0.00 O ATOM 1236 CB SER A 93 1.610 13.499 5.775 1.00 0.00 C ATOM 1237 OG SER A 93 1.112 12.186 5.996 1.00 0.00 O ATOM 0 H SER A 93 1.180 12.792 3.135 1.00 0.00 H new ATOM 0 HA SER A 93 -0.302 14.390 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.635 13.477 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.617 14.080 6.697 1.00 0.00 H new ATOM 0 HG SER A 93 0.170 12.234 6.264 1.00 0.00 H new ATOM 1243 N SER A 94 0.960 16.453 4.836 1.00 0.00 N ATOM 1244 CA SER A 94 1.504 17.792 4.476 1.00 0.00 C ATOM 1245 C SER A 94 1.587 18.604 5.770 1.00 0.00 C ATOM 1246 O SER A 94 0.586 18.846 6.413 1.00 0.00 O ATOM 1247 CB SER A 94 0.541 18.481 3.514 1.00 0.00 C ATOM 1248 OG SER A 94 1.278 19.608 3.061 1.00 0.00 O ATOM 0 H SER A 94 0.310 16.461 5.622 1.00 0.00 H new ATOM 0 HA SER A 94 2.482 17.705 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.260 17.826 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.381 18.778 4.013 1.00 0.00 H new ATOM 0 HG SER A 94 1.124 19.736 2.102 1.00 0.00 H new ATOM 1254 N PRO A 95 2.785 18.970 6.138 1.00 0.00 N ATOM 1255 CA PRO A 95 3.506 18.331 7.266 1.00 0.00 C ATOM 1256 C PRO A 95 2.794 18.505 8.618 1.00 0.00 C ATOM 1257 O PRO A 95 3.258 18.007 9.625 1.00 0.00 O ATOM 1258 CB PRO A 95 4.880 19.014 7.290 1.00 0.00 C ATOM 1259 CG PRO A 95 4.825 20.203 6.284 1.00 0.00 C ATOM 1260 CD PRO A 95 3.527 20.062 5.467 1.00 0.00 C ATOM 0 HA PRO A 95 3.565 17.252 7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.114 19.370 8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.664 18.310 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.842 21.155 6.815 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.695 20.189 5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.955 20.990 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.738 19.818 4.426 1.00 0.00 H new ATOM 1268 N SER A 96 1.690 19.203 8.617 1.00 0.00 N ATOM 1269 CA SER A 96 0.946 19.418 9.894 1.00 0.00 C ATOM 1270 C SER A 96 -0.382 18.649 9.917 1.00 0.00 C ATOM 1271 O SER A 96 -0.881 18.308 10.971 1.00 0.00 O ATOM 1272 CB SER A 96 0.664 20.915 10.042 1.00 0.00 C ATOM 1273 OG SER A 96 1.957 21.502 10.066 1.00 0.00 O ATOM 0 H SER A 96 1.272 19.632 7.792 1.00 0.00 H new ATOM 0 HA SER A 96 1.557 19.049 10.718 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.068 21.294 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.110 21.129 10.956 1.00 0.00 H new ATOM 0 HG SER A 96 1.873 22.474 10.158 1.00 0.00 H new ATOM 1279 N GLY A 97 -0.926 18.396 8.756 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.218 17.655 8.686 1.00 0.00 C ATOM 1281 C GLY A 97 -2.079 16.451 7.752 1.00 0.00 C ATOM 1282 O GLY A 97 -1.158 16.384 6.960 1.00 0.00 O ATOM 0 H GLY A 97 -0.532 18.670 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.510 17.322 9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.007 18.316 8.327 1.00 0.00 H new ATOM 1286 N SER A 98 -2.996 15.527 7.858 1.00 0.00 N ATOM 1287 CA SER A 98 -2.914 14.327 6.977 1.00 0.00 C ATOM 1288 C SER A 98 -4.296 13.730 6.675 1.00 0.00 C ATOM 1289 O SER A 98 -5.249 13.931 7.402 1.00 0.00 O ATOM 1290 CB SER A 98 -2.047 13.280 7.677 1.00 0.00 C ATOM 1291 OG SER A 98 -1.841 12.295 6.677 1.00 0.00 O ATOM 0 H SER A 98 -3.785 15.549 8.504 1.00 0.00 H new ATOM 0 HA SER A 98 -2.480 14.628 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.104 13.705 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.548 12.865 8.552 1.00 0.00 H new ATOM 0 HG SER A 98 -1.732 12.731 5.806 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.347 13.003 5.592 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.614 12.341 5.158 1.00 0.00 C ATOM 1299 C ASP A 99 -5.284 10.877 4.861 1.00 0.00 C ATOM 1300 O ASP A 99 -4.213 10.589 4.365 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.103 13.039 3.887 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.527 12.596 3.527 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -8.054 11.750 4.230 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.997 13.152 2.549 1.00 0.00 O ATOM 0 H ASP A 99 -3.550 12.836 4.978 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.389 12.401 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.080 14.119 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.429 12.812 3.061 1.00 0.00 H new ATOM 1309 N THR A 100 -6.193 9.981 5.136 1.00 0.00 N ATOM 1310 CA THR A 100 -5.864 8.550 4.879 1.00 0.00 C ATOM 1311 C THR A 100 -6.924 7.782 4.079 1.00 0.00 C ATOM 1312 O THR A 100 -8.102 8.077 4.109 1.00 0.00 O ATOM 1313 CB THR A 100 -5.660 7.873 6.235 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.591 8.596 6.828 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.106 6.454 6.068 1.00 0.00 C ATOM 0 H THR A 100 -7.121 10.168 5.516 1.00 0.00 H new ATOM 0 HA THR A 100 -4.967 8.531 4.260 1.00 0.00 H new ATOM 0 HB THR A 100 -6.599 7.848 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.395 8.223 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.971 5.998 7.049 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.806 5.857 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.146 6.496 5.553 1.00 0.00 H new ATOM 1323 N THR A 101 -6.419 6.801 3.380 1.00 0.00 N ATOM 1324 CA THR A 101 -7.255 5.898 2.529 1.00 0.00 C ATOM 1325 C THR A 101 -6.827 4.462 2.859 1.00 0.00 C ATOM 1326 O THR A 101 -5.644 4.234 2.993 1.00 0.00 O ATOM 1327 CB THR A 101 -6.930 6.207 1.059 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.693 6.905 1.108 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.907 7.227 0.476 1.00 0.00 C ATOM 0 H THR A 101 -5.424 6.579 3.363 1.00 0.00 H new ATOM 0 HA THR A 101 -8.322 6.032 2.705 1.00 0.00 H new ATOM 0 HB THR A 101 -6.949 5.288 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.413 7.139 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.650 7.424 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.921 6.832 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.848 8.154 1.046 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.727 3.515 2.973 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.232 2.142 3.318 1.00 0.00 C ATOM 1339 C TYR A 102 -7.551 1.031 2.311 1.00 0.00 C ATOM 1340 O TYR A 102 -8.686 0.688 2.053 1.00 0.00 O ATOM 1341 CB TYR A 102 -7.817 1.711 4.658 1.00 0.00 C ATOM 1342 CG TYR A 102 -7.708 2.841 5.671 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -8.494 3.964 5.547 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -6.835 2.735 6.727 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -8.411 4.978 6.477 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -6.746 3.747 7.660 1.00 0.00 C ATOM 1347 CZ TYR A 102 -7.534 4.877 7.540 1.00 0.00 C ATOM 1348 OH TYR A 102 -7.445 5.891 8.471 1.00 0.00 O ATOM 0 H TYR A 102 -8.734 3.620 2.850 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.147 2.250 3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.862 1.427 4.532 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.289 0.831 5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.179 4.051 4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.216 1.856 6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.034 5.854 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.058 3.656 8.488 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.780 5.654 9.150 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.510 0.467 1.773 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.670 -0.656 0.817 1.00 0.00 C ATOM 1360 C PHE A 103 -6.332 -1.929 1.584 1.00 0.00 C ATOM 1361 O PHE A 103 -5.180 -2.212 1.847 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.673 -0.525 -0.338 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.809 0.847 -0.984 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.397 1.979 -0.310 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.344 0.963 -2.250 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.524 3.219 -0.895 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.470 2.203 -2.838 1.00 0.00 C ATOM 1368 CZ PHE A 103 -6.064 3.331 -2.157 1.00 0.00 C ATOM 0 H PHE A 103 -5.545 0.740 1.958 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.682 -0.664 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.656 -0.665 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.855 -1.305 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.974 1.892 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.665 0.080 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.201 4.103 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.886 2.291 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.170 4.304 -2.614 1.00 0.00 H new ATOM 1378 N SER A 104 -7.327 -2.687 1.936 1.00 0.00 N ATOM 1379 CA SER A 104 -6.999 -3.940 2.673 1.00 0.00 C ATOM 1380 C SER A 104 -6.514 -4.937 1.628 1.00 0.00 C ATOM 1381 O SER A 104 -7.177 -5.169 0.641 1.00 0.00 O ATOM 1382 CB SER A 104 -8.262 -4.477 3.348 1.00 0.00 C ATOM 1383 OG SER A 104 -8.419 -3.644 4.486 1.00 0.00 O ATOM 0 H SER A 104 -8.315 -2.508 1.757 1.00 0.00 H new ATOM 0 HA SER A 104 -6.244 -3.769 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.126 -4.416 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.150 -5.524 3.631 1.00 0.00 H new ATOM 0 HG SER A 104 -8.211 -2.717 4.244 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.355 -5.495 1.842 1.00 0.00 N ATOM 1390 CA VAL A 105 -4.828 -6.456 0.832 1.00 0.00 C ATOM 1391 C VAL A 105 -4.545 -7.815 1.471 1.00 0.00 C ATOM 1392 O VAL A 105 -3.806 -7.924 2.427 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.545 -5.871 0.235 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -2.973 -6.863 -0.769 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -3.909 -4.577 -0.497 1.00 0.00 C ATOM 0 H VAL A 105 -4.760 -5.333 2.654 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.571 -6.609 0.049 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.812 -5.674 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.058 -6.457 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.750 -7.803 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.701 -7.040 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.010 -4.140 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.626 -4.796 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.351 -3.872 0.208 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.154 -8.831 0.922 1.00 0.00 N ATOM 1406 CA ASN A 106 -4.943 -10.192 1.487 1.00 0.00 C ATOM 1407 C ASN A 106 -4.752 -11.263 0.415 1.00 0.00 C ATOM 1408 O ASN A 106 -5.458 -11.317 -0.572 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.161 -10.554 2.344 1.00 0.00 C ATOM 1410 CG ASN A 106 -6.827 -11.833 1.816 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -6.351 -12.934 2.010 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -7.932 -11.728 1.130 1.00 0.00 N ATOM 0 H ASN A 106 -5.780 -8.779 0.118 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.027 -10.166 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.855 -10.697 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.878 -9.733 2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.386 -12.565 0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.342 -10.809 0.960 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.734 -12.055 0.604 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.529 -13.179 -0.351 1.00 0.00 C ATOM 1421 C VAL A 107 -3.852 -14.502 0.341 1.00 0.00 C ATOM 1422 O VAL A 107 -3.423 -14.752 1.451 1.00 0.00 O ATOM 1423 CB VAL A 107 -2.082 -13.222 -0.822 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.219 -13.913 0.242 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -2.035 -14.066 -2.095 1.00 0.00 C ATOM 0 H VAL A 107 -3.051 -11.977 1.358 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.185 -13.027 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.712 -12.212 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.183 -13.944 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.280 -13.357 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.580 -14.929 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.009 -14.117 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.394 -15.072 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.669 -13.611 -2.857 1.00 0.00 H new ATOM 1435 N SER A 108 -4.623 -15.308 -0.330 1.00 0.00 N ATOM 1436 CA SER A 108 -4.981 -16.633 0.248 1.00 0.00 C ATOM 1437 C SER A 108 -5.445 -17.571 -0.864 1.00 0.00 C ATOM 1438 O SER A 108 -5.730 -17.142 -1.964 1.00 0.00 O ATOM 1439 CB SER A 108 -6.107 -16.450 1.269 1.00 0.00 C ATOM 1440 OG SER A 108 -5.520 -15.663 2.297 1.00 0.00 O ATOM 0 H SER A 108 -5.020 -15.110 -1.249 1.00 0.00 H new ATOM 0 HA SER A 108 -4.109 -17.064 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.968 -15.949 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.457 -17.409 1.652 1.00 0.00 H new ATOM 0 HG SER A 108 -4.544 -15.737 2.248 1.00 0.00 H new