USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 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 94 SER OG : rot -68:sc= -1.28! USER MOD Set 1.2: A 96 SER OG : rot -64:sc= -0.0928 USER MOD Single : A 31 SER OG : rot 46:sc= 1.05 USER MOD Single : A 35 HIS : no HE2:sc= -1.43! C(o=-1.4!,f=-6.4!) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.24! C(o=-6.7!,f=-2.2!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.538 F(o=-2.6,f=-0.54) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.9!) USER MOD Single : A 61 GLN :FLIP amide:sc= -1.68 F(o=-5.2!,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 130:sc= -5.17! USER MOD Single : A 71 THR OG1 : rot 53:sc= -0.064! USER MOD Single : A 80 SER OG : rot -41:sc= 0.651 USER MOD Single : A 85 SER OG : rot -103:sc= 1.29 USER MOD Single : A 88 TYR OH : rot 180:sc= -3.01 USER MOD Single : A 92 THR OG1 : rot 14:sc= 1.46 USER MOD Single : A 93 SER OG : rot 36:sc= -1.05! USER MOD Single : A 98 SER OG : rot 42:sc= 0.365 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.966 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -98:sc= -3.2! USER MOD Single : A 106 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.21) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -11.808 2.592 4.696 1.00 0.00 N ATOM 213 CA GLU A 28 -11.732 1.660 3.553 1.00 0.00 C ATOM 214 C GLU A 28 -11.302 2.463 2.330 1.00 0.00 C ATOM 215 O GLU A 28 -11.203 3.673 2.359 1.00 0.00 O ATOM 216 CB GLU A 28 -13.113 1.035 3.317 1.00 0.00 C ATOM 217 CG GLU A 28 -13.319 -0.104 4.324 1.00 0.00 C ATOM 218 CD GLU A 28 -14.649 -0.816 4.040 1.00 0.00 C ATOM 219 OE1 GLU A 28 -15.338 -0.365 3.138 1.00 0.00 O ATOM 220 OE2 GLU A 28 -14.900 -1.775 4.751 1.00 0.00 O ATOM 0 HA GLU A 28 -11.018 0.860 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.893 1.788 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.186 0.656 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.495 -0.814 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.318 0.292 5.340 1.00 0.00 H new ATOM 227 N VAL A 29 -10.869 1.730 1.354 1.00 0.00 N ATOM 228 CA VAL A 29 -10.468 2.349 0.059 1.00 0.00 C ATOM 229 C VAL A 29 -10.414 1.314 -1.048 1.00 0.00 C ATOM 230 O VAL A 29 -11.250 1.268 -1.929 1.00 0.00 O ATOM 231 CB VAL A 29 -9.118 3.037 0.194 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.375 3.000 -1.146 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.384 4.511 0.527 1.00 0.00 C ATOM 0 H VAL A 29 -10.772 0.715 1.393 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.221 3.092 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.525 2.539 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.409 3.495 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.221 1.964 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.966 3.515 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.435 5.037 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.965 4.966 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.941 4.578 1.462 1.00 0.00 H new ATOM 243 N GLU A 30 -9.406 0.492 -0.950 1.00 0.00 N ATOM 244 CA GLU A 30 -9.229 -0.547 -2.004 1.00 0.00 C ATOM 245 C GLU A 30 -9.065 -1.959 -1.452 1.00 0.00 C ATOM 246 O GLU A 30 -8.073 -2.299 -0.838 1.00 0.00 O ATOM 247 CB GLU A 30 -8.000 -0.197 -2.845 1.00 0.00 C ATOM 248 CG GLU A 30 -8.462 0.553 -4.098 1.00 0.00 C ATOM 249 CD GLU A 30 -7.352 0.509 -5.158 1.00 0.00 C ATOM 250 OE1 GLU A 30 -6.389 1.237 -4.982 1.00 0.00 O ATOM 251 OE2 GLU A 30 -7.536 -0.259 -6.087 1.00 0.00 O ATOM 0 H GLU A 30 -8.711 0.492 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.141 -0.547 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.310 0.419 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.462 -1.103 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.373 0.101 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.701 1.587 -3.849 1.00 0.00 H new ATOM 258 N SER A 31 -10.079 -2.740 -1.689 1.00 0.00 N ATOM 259 CA SER A 31 -10.040 -4.162 -1.242 1.00 0.00 C ATOM 260 C SER A 31 -9.584 -5.070 -2.391 1.00 0.00 C ATOM 261 O SER A 31 -10.299 -5.300 -3.346 1.00 0.00 O ATOM 262 CB SER A 31 -11.434 -4.576 -0.770 1.00 0.00 C ATOM 263 OG SER A 31 -12.267 -4.337 -1.895 1.00 0.00 O ATOM 0 H SER A 31 -10.932 -2.458 -2.172 1.00 0.00 H new ATOM 0 HA SER A 31 -9.330 -4.263 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.459 -5.624 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.752 -3.991 0.093 1.00 0.00 H new ATOM 0 HG SER A 31 -11.840 -4.697 -2.700 1.00 0.00 H new ATOM 269 N LEU A 32 -8.384 -5.561 -2.242 1.00 0.00 N ATOM 270 CA LEU A 32 -7.782 -6.457 -3.277 1.00 0.00 C ATOM 271 C LEU A 32 -7.495 -7.865 -2.728 1.00 0.00 C ATOM 272 O LEU A 32 -6.915 -8.035 -1.671 1.00 0.00 O ATOM 273 CB LEU A 32 -6.460 -5.832 -3.750 1.00 0.00 C ATOM 274 CG LEU A 32 -6.647 -5.153 -5.118 1.00 0.00 C ATOM 275 CD1 LEU A 32 -6.995 -6.215 -6.170 1.00 0.00 C ATOM 276 CD2 LEU A 32 -7.791 -4.137 -5.039 1.00 0.00 C ATOM 0 H LEU A 32 -7.785 -5.378 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.494 -6.557 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.113 -5.102 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.691 -6.602 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.724 -4.644 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.128 -5.736 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.187 -6.944 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.918 -6.720 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.920 -3.658 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.713 -4.648 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.555 -3.381 -4.290 1.00 0.00 H new ATOM 288 N LEU A 33 -7.886 -8.848 -3.495 1.00 0.00 N ATOM 289 CA LEU A 33 -7.661 -10.263 -3.078 1.00 0.00 C ATOM 290 C LEU A 33 -6.634 -10.914 -4.012 1.00 0.00 C ATOM 291 O LEU A 33 -6.804 -10.921 -5.215 1.00 0.00 O ATOM 292 CB LEU A 33 -8.993 -11.021 -3.164 1.00 0.00 C ATOM 293 CG LEU A 33 -9.692 -10.693 -4.494 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.550 -11.894 -4.904 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.618 -9.487 -4.295 1.00 0.00 C ATOM 0 H LEU A 33 -8.353 -8.732 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.284 -10.295 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.817 -12.094 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.634 -10.744 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.947 -10.471 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.053 -11.677 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.914 -12.771 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.294 -12.090 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.116 -9.251 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.366 -9.724 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.032 -8.628 -3.969 1.00 0.00 H new ATOM 307 N VAL A 34 -5.584 -11.442 -3.441 1.00 0.00 N ATOM 308 CA VAL A 34 -4.534 -12.072 -4.297 1.00 0.00 C ATOM 309 C VAL A 34 -3.964 -13.363 -3.692 1.00 0.00 C ATOM 310 O VAL A 34 -4.270 -13.734 -2.576 1.00 0.00 O ATOM 311 CB VAL A 34 -3.393 -11.057 -4.478 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.220 -10.772 -5.971 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.749 -9.741 -3.772 1.00 0.00 C ATOM 0 H VAL A 34 -5.408 -11.465 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.994 -12.342 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.476 -11.466 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.413 -10.053 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.977 -11.698 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.146 -10.362 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.937 -9.026 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.664 -9.334 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.899 -9.928 -2.709 1.00 0.00 H new ATOM 323 N HIS A 35 -3.150 -14.041 -4.457 1.00 0.00 N ATOM 324 CA HIS A 35 -2.532 -15.297 -3.944 1.00 0.00 C ATOM 325 C HIS A 35 -1.026 -15.286 -4.238 1.00 0.00 C ATOM 326 O HIS A 35 -0.542 -14.460 -4.985 1.00 0.00 O ATOM 327 CB HIS A 35 -3.194 -16.490 -4.648 1.00 0.00 C ATOM 328 CG HIS A 35 -4.495 -16.020 -5.302 1.00 0.00 C ATOM 329 ND1 HIS A 35 -4.564 -15.136 -6.240 1.00 0.00 N ATOM 330 CD2 HIS A 35 -5.811 -16.385 -5.077 1.00 0.00 C ATOM 331 CE1 HIS A 35 -5.800 -14.956 -6.580 1.00 0.00 C ATOM 332 NE2 HIS A 35 -6.610 -15.713 -5.882 1.00 0.00 N ATOM 0 H HIS A 35 -2.888 -13.781 -5.408 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.679 -15.376 -2.867 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.522 -16.904 -5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.398 -17.285 -3.931 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -3.766 -14.652 -6.651 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.136 -17.113 -4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.124 -14.266 -7.345 1.00 0.00 H new ATOM 340 N PRO A 36 -0.329 -16.211 -3.633 1.00 0.00 N ATOM 341 CA PRO A 36 1.140 -16.119 -3.471 1.00 0.00 C ATOM 342 C PRO A 36 1.859 -15.967 -4.816 1.00 0.00 C ATOM 343 O PRO A 36 1.981 -16.910 -5.572 1.00 0.00 O ATOM 344 CB PRO A 36 1.550 -17.424 -2.774 1.00 0.00 C ATOM 345 CG PRO A 36 0.243 -18.197 -2.427 1.00 0.00 C ATOM 346 CD PRO A 36 -0.937 -17.437 -3.062 1.00 0.00 C ATOM 0 HA PRO A 36 1.417 -15.237 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.189 -18.022 -3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.123 -17.213 -1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.290 -19.217 -2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.116 -18.266 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.424 -18.034 -3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.697 -17.194 -2.320 1.00 0.00 H new ATOM 354 N GLY A 37 2.312 -14.771 -5.079 1.00 0.00 N ATOM 355 CA GLY A 37 3.037 -14.513 -6.358 1.00 0.00 C ATOM 356 C GLY A 37 2.194 -13.695 -7.344 1.00 0.00 C ATOM 357 O GLY A 37 2.106 -14.037 -8.507 1.00 0.00 O ATOM 0 H GLY A 37 2.212 -13.962 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.965 -13.982 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.311 -15.463 -6.817 1.00 0.00 H new ATOM 361 N ASP A 38 1.593 -12.637 -6.868 1.00 0.00 N ATOM 362 CA ASP A 38 0.763 -11.800 -7.788 1.00 0.00 C ATOM 363 C ASP A 38 1.084 -10.300 -7.730 1.00 0.00 C ATOM 364 O ASP A 38 2.013 -9.851 -7.084 1.00 0.00 O ATOM 365 CB ASP A 38 -0.715 -11.978 -7.426 1.00 0.00 C ATOM 366 CG ASP A 38 -1.230 -13.336 -7.908 1.00 0.00 C ATOM 367 OD1 ASP A 38 -0.687 -13.828 -8.884 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.164 -13.788 -7.269 1.00 0.00 O ATOM 0 H ASP A 38 1.638 -12.319 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 38 0.991 -12.142 -8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.842 -11.897 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.304 -11.179 -7.877 1.00 0.00 H new ATOM 373 N LEU A 39 0.260 -9.570 -8.436 1.00 0.00 N ATOM 374 CA LEU A 39 0.405 -8.089 -8.497 1.00 0.00 C ATOM 375 C LEU A 39 -0.780 -7.402 -7.809 1.00 0.00 C ATOM 376 O LEU A 39 -1.919 -7.525 -8.213 1.00 0.00 O ATOM 377 CB LEU A 39 0.478 -7.648 -9.971 1.00 0.00 C ATOM 378 CG LEU A 39 -0.090 -8.742 -10.891 1.00 0.00 C ATOM 379 CD1 LEU A 39 -1.604 -8.862 -10.676 1.00 0.00 C ATOM 380 CD2 LEU A 39 0.166 -8.340 -12.346 1.00 0.00 C ATOM 0 H LEU A 39 -0.517 -9.945 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 39 1.319 -7.800 -7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.082 -6.723 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.512 -7.437 -10.243 1.00 0.00 H new ATOM 0 HG LEU A 39 0.389 -9.695 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.004 -9.638 -11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.804 -9.123 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.081 -7.910 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.232 -9.107 -13.011 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.326 -7.390 -12.553 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.238 -8.237 -12.512 1.00 0.00 H new ATOM 392 N LEU A 40 -0.453 -6.689 -6.767 1.00 0.00 N ATOM 393 CA LEU A 40 -1.486 -5.952 -5.978 1.00 0.00 C ATOM 394 C LEU A 40 -1.253 -4.440 -6.115 1.00 0.00 C ATOM 395 O LEU A 40 -0.147 -3.973 -5.940 1.00 0.00 O ATOM 396 CB LEU A 40 -1.346 -6.396 -4.510 1.00 0.00 C ATOM 397 CG LEU A 40 -1.553 -5.205 -3.564 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.051 -4.906 -3.457 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.018 -5.578 -2.180 1.00 0.00 C ATOM 0 H LEU A 40 0.501 -6.583 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.491 -6.170 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.076 -7.175 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.359 -6.829 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.028 -4.329 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.206 -4.061 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.445 -4.663 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.569 -5.781 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.159 -4.740 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.557 -6.447 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.044 -5.813 -2.252 1.00 0.00 H new ATOM 411 N GLN A 41 -2.290 -3.696 -6.395 1.00 0.00 N ATOM 412 CA GLN A 41 -2.096 -2.223 -6.555 1.00 0.00 C ATOM 413 C GLN A 41 -2.977 -1.404 -5.605 1.00 0.00 C ATOM 414 O GLN A 41 -4.167 -1.624 -5.503 1.00 0.00 O ATOM 415 CB GLN A 41 -2.433 -1.828 -8.001 1.00 0.00 C ATOM 416 CG GLN A 41 -1.906 -2.902 -8.965 1.00 0.00 C ATOM 417 CD GLN A 41 -2.859 -4.105 -9.002 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.979 -4.068 -8.329 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -2.592 -5.095 -9.651 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.245 -4.034 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.056 -2.004 -6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.511 -1.719 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.987 -0.862 -8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.802 -2.482 -9.965 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.914 -3.226 -8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.722 -5.138 -10.181 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.238 -5.884 -9.666 1.00 0.00 H new ATOM 428 N LEU A 42 -2.351 -0.475 -4.931 1.00 0.00 N ATOM 429 CA LEU A 42 -3.094 0.407 -3.987 1.00 0.00 C ATOM 430 C LEU A 42 -2.730 1.851 -4.332 1.00 0.00 C ATOM 431 O LEU A 42 -1.588 2.234 -4.181 1.00 0.00 O ATOM 432 CB LEU A 42 -2.654 0.096 -2.543 1.00 0.00 C ATOM 433 CG LEU A 42 -1.262 -0.566 -2.547 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.567 -0.301 -1.207 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.434 -2.077 -2.698 1.00 0.00 C ATOM 0 H LEU A 42 -1.350 -0.289 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.169 0.248 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.627 1.014 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.379 -0.565 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.670 -0.159 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.417 -0.769 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.458 0.774 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.166 -0.719 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.455 -2.556 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.022 -2.461 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.947 -2.293 -3.635 1.00 0.00 H new ATOM 447 N ARG A 43 -3.683 2.611 -4.801 1.00 0.00 N ATOM 448 CA ARG A 43 -3.362 4.026 -5.166 1.00 0.00 C ATOM 449 C ARG A 43 -3.964 5.030 -4.188 1.00 0.00 C ATOM 450 O ARG A 43 -5.166 5.120 -4.011 1.00 0.00 O ATOM 451 CB ARG A 43 -3.879 4.319 -6.580 1.00 0.00 C ATOM 452 CG ARG A 43 -3.498 5.766 -6.946 1.00 0.00 C ATOM 453 CD ARG A 43 -3.433 5.895 -8.471 1.00 0.00 C ATOM 454 NE ARG A 43 -3.173 7.323 -8.822 1.00 0.00 N ATOM 455 CZ ARG A 43 -2.106 7.628 -9.507 1.00 0.00 C ATOM 456 NH1 ARG A 43 -1.191 8.370 -8.947 1.00 0.00 N ATOM 457 NH2 ARG A 43 -1.991 7.187 -10.730 1.00 0.00 N ATOM 0 H ARG A 43 -4.651 2.324 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.278 4.137 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.445 3.620 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.960 4.189 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.232 6.462 -6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.535 6.025 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.644 5.258 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.369 5.561 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.823 8.052 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.317 8.700 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.349 8.620 -9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.729 6.613 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.163 7.417 -11.279 1.00 0.00 H new ATOM 471 N CYS A 44 -3.069 5.785 -3.612 1.00 0.00 N ATOM 472 CA CYS A 44 -3.466 6.818 -2.617 1.00 0.00 C ATOM 473 C CYS A 44 -3.968 8.101 -3.284 1.00 0.00 C ATOM 474 O CYS A 44 -4.553 8.086 -4.348 1.00 0.00 O ATOM 475 CB CYS A 44 -2.231 7.152 -1.788 1.00 0.00 C ATOM 476 SG CYS A 44 -2.443 7.426 -0.014 1.00 0.00 S ATOM 0 H CYS A 44 -2.067 5.728 -3.792 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.279 6.424 -2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.514 6.341 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.778 8.048 -2.212 1.00 0.00 H new ATOM 481 N ARG A 45 -3.731 9.187 -2.598 1.00 0.00 N ATOM 482 CA ARG A 45 -4.160 10.526 -3.097 1.00 0.00 C ATOM 483 C ARG A 45 -3.143 11.563 -2.595 1.00 0.00 C ATOM 484 O ARG A 45 -2.098 11.195 -2.097 1.00 0.00 O ATOM 485 CB ARG A 45 -5.572 10.858 -2.556 1.00 0.00 C ATOM 486 CG ARG A 45 -6.157 9.684 -1.734 1.00 0.00 C ATOM 487 CD ARG A 45 -7.477 9.211 -2.369 1.00 0.00 C ATOM 488 NE ARG A 45 -7.197 8.689 -3.736 1.00 0.00 N ATOM 489 CZ ARG A 45 -8.195 8.330 -4.495 1.00 0.00 C ATOM 490 NH1 ARG A 45 -8.435 9.004 -5.585 1.00 0.00 N ATOM 491 NH2 ARG A 45 -8.921 7.303 -4.150 1.00 0.00 N ATOM 0 H ARG A 45 -3.250 9.203 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.200 10.535 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.523 11.751 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.237 11.087 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.444 8.861 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.330 9.999 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.933 8.434 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.188 10.036 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.238 8.613 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.846 9.799 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.212 8.736 -6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.706 6.790 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.704 7.012 -4.735 1.00 0.00 H new ATOM 505 N LEU A 46 -3.444 12.829 -2.728 1.00 0.00 N ATOM 506 CA LEU A 46 -2.465 13.851 -2.243 1.00 0.00 C ATOM 507 C LEU A 46 -3.165 15.155 -1.844 1.00 0.00 C ATOM 508 O LEU A 46 -4.138 15.554 -2.454 1.00 0.00 O ATOM 509 CB LEU A 46 -1.449 14.134 -3.357 1.00 0.00 C ATOM 510 CG LEU A 46 -2.173 14.191 -4.708 1.00 0.00 C ATOM 511 CD1 LEU A 46 -1.593 15.345 -5.532 1.00 0.00 C ATOM 512 CD2 LEU A 46 -1.913 12.882 -5.459 1.00 0.00 C ATOM 0 H LEU A 46 -4.302 13.195 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.963 13.457 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.938 15.078 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.686 13.356 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.242 14.336 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.100 15.395 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.738 16.283 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.528 15.179 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.422 12.908 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.842 12.760 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.290 12.045 -4.872 1.00 0.00 H new ATOM 524 N ARG A 47 -2.624 15.844 -0.874 1.00 0.00 N ATOM 525 CA ARG A 47 -3.316 17.097 -0.463 1.00 0.00 C ATOM 526 C ARG A 47 -2.779 18.271 -1.276 1.00 0.00 C ATOM 527 O ARG A 47 -3.248 18.507 -2.370 1.00 0.00 O ATOM 528 CB ARG A 47 -3.100 17.326 1.039 1.00 0.00 C ATOM 529 CG ARG A 47 -4.370 17.967 1.610 1.00 0.00 C ATOM 530 CD ARG A 47 -5.501 16.931 1.583 1.00 0.00 C ATOM 531 NE ARG A 47 -5.366 16.065 2.787 1.00 0.00 N ATOM 532 CZ ARG A 47 -4.552 15.046 2.760 1.00 0.00 C ATOM 533 NH1 ARG A 47 -4.702 14.124 1.850 1.00 0.00 N ATOM 534 NH2 ARG A 47 -3.609 14.977 3.657 1.00 0.00 N ATOM 0 H ARG A 47 -1.770 15.607 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.386 17.011 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.891 16.382 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.239 17.973 1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.195 18.308 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.647 18.843 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.471 17.427 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.446 16.331 0.675 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.907 16.267 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.453 14.202 1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.068 13.325 1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.519 15.710 4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.961 14.190 3.656 1.00 0.00 H new ATOM 548 N ASP A 48 -1.797 18.961 -0.763 1.00 0.00 N ATOM 549 CA ASP A 48 -1.253 20.111 -1.534 1.00 0.00 C ATOM 550 C ASP A 48 -0.012 19.634 -2.280 1.00 0.00 C ATOM 551 O ASP A 48 0.179 19.938 -3.441 1.00 0.00 O ATOM 552 CB ASP A 48 -0.884 21.232 -0.556 1.00 0.00 C ATOM 553 CG ASP A 48 0.064 22.220 -1.247 1.00 0.00 C ATOM 554 OD1 ASP A 48 -0.451 23.069 -1.957 1.00 0.00 O ATOM 555 OD2 ASP A 48 1.253 22.060 -1.029 1.00 0.00 O ATOM 0 H ASP A 48 -1.356 18.782 0.139 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.988 20.489 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.784 21.748 -0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.408 20.814 0.331 1.00 0.00 H new ATOM 560 N ASP A 49 0.806 18.891 -1.584 1.00 0.00 N ATOM 561 CA ASP A 49 2.043 18.385 -2.236 1.00 0.00 C ATOM 562 C ASP A 49 2.627 17.184 -1.489 1.00 0.00 C ATOM 563 O ASP A 49 3.776 17.220 -1.095 1.00 0.00 O ATOM 564 CB ASP A 49 3.065 19.526 -2.259 1.00 0.00 C ATOM 565 CG ASP A 49 4.072 19.283 -3.387 1.00 0.00 C ATOM 566 OD1 ASP A 49 4.824 18.331 -3.251 1.00 0.00 O ATOM 567 OD2 ASP A 49 4.029 20.064 -4.323 1.00 0.00 O ATOM 0 H ASP A 49 0.674 18.618 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 49 1.803 18.052 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.559 20.480 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.582 19.585 -1.301 1.00 0.00 H new ATOM 572 N VAL A 50 1.826 16.169 -1.277 1.00 0.00 N ATOM 573 CA VAL A 50 2.327 14.953 -0.579 1.00 0.00 C ATOM 574 C VAL A 50 3.850 14.897 -0.562 1.00 0.00 C ATOM 575 O VAL A 50 4.504 14.903 -1.586 1.00 0.00 O ATOM 576 CB VAL A 50 1.790 13.719 -1.295 1.00 0.00 C ATOM 577 CG1 VAL A 50 0.334 13.525 -0.886 1.00 0.00 C ATOM 578 CG2 VAL A 50 1.863 13.930 -2.811 1.00 0.00 C ATOM 0 H VAL A 50 0.846 16.134 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 50 1.981 14.986 0.454 1.00 0.00 H new ATOM 0 HB VAL A 50 2.382 12.844 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.071 12.646 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.275 13.386 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.244 14.404 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.479 13.046 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.263 14.797 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.899 14.097 -3.106 1.00 0.00 H new ATOM 588 N GLN A 51 4.364 14.824 0.630 1.00 0.00 N ATOM 589 CA GLN A 51 5.835 14.779 0.812 1.00 0.00 C ATOM 590 C GLN A 51 6.147 13.381 1.315 1.00 0.00 C ATOM 591 O GLN A 51 7.171 12.809 0.999 1.00 0.00 O ATOM 592 CB GLN A 51 6.221 15.820 1.859 1.00 0.00 C ATOM 593 CG GLN A 51 5.308 17.037 1.675 1.00 0.00 C ATOM 594 CD GLN A 51 5.584 18.038 2.798 1.00 0.00 C ATOM 595 OE1 GLN A 51 4.672 18.230 3.711 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 6.632 18.651 2.857 1.00 0.00 N flip ATOM 0 H GLN A 51 3.822 14.793 1.493 1.00 0.00 H new ATOM 0 HA GLN A 51 6.382 14.993 -0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.112 15.410 2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.266 16.107 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.488 17.500 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.262 16.730 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.349 18.505 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.795 19.311 3.617 1.00 0.00 H new ATOM 605 N SER A 52 5.238 12.865 2.099 1.00 0.00 N ATOM 606 CA SER A 52 5.454 11.491 2.619 1.00 0.00 C ATOM 607 C SER A 52 4.198 10.657 2.382 1.00 0.00 C ATOM 608 O SER A 52 3.101 11.079 2.692 1.00 0.00 O ATOM 609 CB SER A 52 5.756 11.565 4.117 1.00 0.00 C ATOM 610 OG SER A 52 6.938 12.348 4.181 1.00 0.00 O ATOM 0 H SER A 52 4.377 13.325 2.394 1.00 0.00 H new ATOM 0 HA SER A 52 6.294 11.026 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.938 12.028 4.668 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.908 10.574 4.545 1.00 0.00 H new ATOM 0 HG SER A 52 7.211 12.452 5.116 1.00 0.00 H new ATOM 616 N ILE A 53 4.395 9.515 1.783 1.00 0.00 N ATOM 617 CA ILE A 53 3.252 8.602 1.529 1.00 0.00 C ATOM 618 C ILE A 53 3.568 7.315 2.276 1.00 0.00 C ATOM 619 O ILE A 53 4.384 6.517 1.858 1.00 0.00 O ATOM 620 CB ILE A 53 3.130 8.332 0.031 1.00 0.00 C ATOM 621 CG1 ILE A 53 2.685 9.615 -0.690 1.00 0.00 C ATOM 622 CG2 ILE A 53 2.079 7.239 -0.198 1.00 0.00 C ATOM 623 CD1 ILE A 53 1.460 10.212 0.008 1.00 0.00 C ATOM 0 H ILE A 53 5.301 9.177 1.459 1.00 0.00 H new ATOM 0 HA ILE A 53 2.308 9.031 1.864 1.00 0.00 H new ATOM 0 HB ILE A 53 4.095 8.010 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.499 10.340 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.448 9.393 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.987 7.041 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.385 6.327 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.118 7.571 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.153 11.120 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.643 9.490 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.711 10.451 1.041 1.00 0.00 H new ATOM 635 N ASN A 54 2.893 7.161 3.376 1.00 0.00 N ATOM 636 CA ASN A 54 3.122 5.957 4.221 1.00 0.00 C ATOM 637 C ASN A 54 2.072 4.904 3.919 1.00 0.00 C ATOM 638 O ASN A 54 0.898 5.191 3.990 1.00 0.00 O ATOM 639 CB ASN A 54 2.949 6.339 5.682 1.00 0.00 C ATOM 640 CG ASN A 54 4.071 7.265 6.131 1.00 0.00 C ATOM 641 OD1 ASN A 54 4.746 7.899 5.345 1.00 0.00 O ATOM 642 ND2 ASN A 54 4.279 7.370 7.413 1.00 0.00 N ATOM 0 H ASN A 54 2.193 7.814 3.728 1.00 0.00 H new ATOM 0 HA ASN A 54 4.123 5.575 4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.986 6.830 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.942 5.441 6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.012 7.987 7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.709 6.835 8.068 1.00 0.00 H new ATOM 649 N TRP A 55 2.492 3.710 3.617 1.00 0.00 N ATOM 650 CA TRP A 55 1.482 2.657 3.349 1.00 0.00 C ATOM 651 C TRP A 55 1.508 1.765 4.582 1.00 0.00 C ATOM 652 O TRP A 55 2.370 0.921 4.720 1.00 0.00 O ATOM 653 CB TRP A 55 1.892 1.889 2.094 1.00 0.00 C ATOM 654 CG TRP A 55 1.648 2.797 0.887 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.563 3.629 0.313 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.473 2.923 0.238 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.870 4.207 -0.649 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.604 3.846 -0.776 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.733 2.285 0.437 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.464 4.132 -1.598 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.806 2.569 -0.386 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.670 3.492 -1.407 1.00 0.00 C ATOM 0 H TRP A 55 3.468 3.423 3.545 1.00 0.00 H new ATOM 0 HA TRP A 55 0.480 3.050 3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.942 1.601 2.149 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.314 0.970 2.003 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.599 3.778 0.580 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.291 4.901 -1.267 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.839 1.565 1.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.357 4.857 -2.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.751 2.070 -0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.507 3.711 -2.053 1.00 0.00 H new ATOM 673 N LEU A 56 0.540 1.942 5.441 1.00 0.00 N ATOM 674 CA LEU A 56 0.543 1.132 6.683 1.00 0.00 C ATOM 675 C LEU A 56 0.021 -0.258 6.342 1.00 0.00 C ATOM 676 O LEU A 56 -1.166 -0.447 6.175 1.00 0.00 O ATOM 677 CB LEU A 56 -0.415 1.752 7.718 1.00 0.00 C ATOM 678 CG LEU A 56 -0.195 3.267 7.852 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.556 3.916 8.125 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.700 3.546 9.062 1.00 0.00 C ATOM 0 H LEU A 56 -0.234 2.598 5.337 1.00 0.00 H new ATOM 0 HA LEU A 56 1.553 1.094 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.446 1.558 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.265 1.274 8.686 1.00 0.00 H new ATOM 0 HG LEU A 56 0.265 3.658 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.431 4.994 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.233 3.704 7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.973 3.512 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.857 4.620 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.220 3.167 9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.661 3.050 8.926 1.00 0.00 H new ATOM 692 N ARG A 57 0.920 -1.199 6.280 1.00 0.00 N ATOM 693 CA ARG A 57 0.501 -2.585 5.939 1.00 0.00 C ATOM 694 C ARG A 57 -0.086 -3.210 7.196 1.00 0.00 C ATOM 695 O ARG A 57 0.335 -2.896 8.289 1.00 0.00 O ATOM 696 CB ARG A 57 1.738 -3.361 5.482 1.00 0.00 C ATOM 697 CG ARG A 57 1.417 -4.856 5.379 1.00 0.00 C ATOM 698 CD ARG A 57 1.764 -5.535 6.707 1.00 0.00 C ATOM 699 NE ARG A 57 1.688 -7.011 6.505 1.00 0.00 N ATOM 700 CZ ARG A 57 2.307 -7.809 7.336 1.00 0.00 C ATOM 701 NH1 ARG A 57 3.284 -7.331 8.057 1.00 0.00 N ATOM 702 NH2 ARG A 57 1.945 -9.061 7.426 1.00 0.00 N ATOM 0 H ARG A 57 1.918 -1.070 6.449 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.242 -2.600 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.075 -2.986 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.555 -3.205 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.361 -4.999 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.985 -5.308 4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.763 -5.246 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.071 -5.221 7.488 1.00 0.00 H new ATOM 0 HE ARG A 57 1.157 -7.395 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.552 -6.351 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.779 -7.937 8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.181 -9.414 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.426 -9.686 8.073 1.00 0.00 H new ATOM 716 N ASP A 58 -1.104 -4.002 7.005 1.00 0.00 N ATOM 717 CA ASP A 58 -1.770 -4.665 8.163 1.00 0.00 C ATOM 718 C ASP A 58 -2.379 -3.579 9.047 1.00 0.00 C ATOM 719 O ASP A 58 -3.570 -3.346 8.993 1.00 0.00 O ATOM 720 CB ASP A 58 -0.739 -5.485 8.952 1.00 0.00 C ATOM 721 CG ASP A 58 -1.444 -6.192 10.115 1.00 0.00 C ATOM 722 OD1 ASP A 58 -1.763 -5.493 11.063 1.00 0.00 O ATOM 723 OD2 ASP A 58 -1.623 -7.392 9.984 1.00 0.00 O ATOM 0 H ASP A 58 -1.506 -4.220 6.093 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.552 -5.341 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.263 -6.217 8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.049 -4.834 9.330 1.00 0.00 H new ATOM 728 N GLY A 59 -1.538 -2.953 9.829 1.00 0.00 N ATOM 729 CA GLY A 59 -2.001 -1.856 10.725 1.00 0.00 C ATOM 730 C GLY A 59 -0.816 -0.979 11.164 1.00 0.00 C ATOM 731 O GLY A 59 -0.915 -0.241 12.124 1.00 0.00 O ATOM 0 H GLY A 59 -0.540 -3.159 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.741 -1.245 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.492 -2.278 11.602 1.00 0.00 H new ATOM 735 N VAL A 60 0.278 -1.078 10.452 1.00 0.00 N ATOM 736 CA VAL A 60 1.481 -0.269 10.810 1.00 0.00 C ATOM 737 C VAL A 60 2.181 0.227 9.540 1.00 0.00 C ATOM 738 O VAL A 60 2.087 -0.391 8.498 1.00 0.00 O ATOM 739 CB VAL A 60 2.444 -1.153 11.615 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.661 -0.319 12.031 1.00 0.00 C ATOM 741 CG2 VAL A 60 1.732 -1.647 12.879 1.00 0.00 C ATOM 0 H VAL A 60 0.389 -1.684 9.639 1.00 0.00 H new ATOM 0 HA VAL A 60 1.178 0.595 11.402 1.00 0.00 H new ATOM 0 HB VAL A 60 2.761 -2.001 11.007 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.350 -0.941 12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.166 0.057 11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.334 0.520 12.645 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.410 -2.276 13.456 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.427 -0.792 13.483 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.852 -2.225 12.598 1.00 0.00 H new ATOM 751 N GLN A 61 2.886 1.320 9.666 1.00 0.00 N ATOM 752 CA GLN A 61 3.599 1.894 8.484 1.00 0.00 C ATOM 753 C GLN A 61 4.377 0.853 7.707 1.00 0.00 C ATOM 754 O GLN A 61 4.997 -0.037 8.256 1.00 0.00 O ATOM 755 CB GLN A 61 4.570 2.979 8.954 1.00 0.00 C ATOM 756 CG GLN A 61 5.837 2.323 9.528 1.00 0.00 C ATOM 757 CD GLN A 61 6.942 2.292 8.463 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.629 2.439 7.204 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 8.104 2.123 8.770 1.00 0.00 N flip ATOM 0 H GLN A 61 3.000 1.841 10.535 1.00 0.00 H new ATOM 0 HA GLN A 61 2.838 2.305 7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.832 3.633 8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.096 3.602 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.179 2.877 10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.613 1.309 9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.361 2.007 9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.824 2.097 8.048 1.00 0.00 H new ATOM 768 N LEU A 62 4.294 0.998 6.416 1.00 0.00 N ATOM 769 CA LEU A 62 5.029 0.062 5.540 1.00 0.00 C ATOM 770 C LEU A 62 5.211 0.644 4.144 1.00 0.00 C ATOM 771 O LEU A 62 4.722 1.704 3.800 1.00 0.00 O ATOM 772 CB LEU A 62 4.250 -1.250 5.426 1.00 0.00 C ATOM 773 CG LEU A 62 5.266 -2.406 5.380 1.00 0.00 C ATOM 774 CD1 LEU A 62 5.366 -3.036 6.773 1.00 0.00 C ATOM 775 CD2 LEU A 62 4.792 -3.468 4.382 1.00 0.00 C ATOM 0 H LEU A 62 3.753 1.718 5.937 1.00 0.00 H new ATOM 0 HA LEU A 62 6.011 -0.113 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.577 -1.368 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.633 -1.250 4.528 1.00 0.00 H new ATOM 0 HG LEU A 62 6.239 -2.025 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.084 -3.856 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.697 -2.284 7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.389 -3.417 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.512 -4.285 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.821 -3.852 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.705 -3.023 3.391 1.00 0.00 H new ATOM 787 N VAL A 63 5.964 -0.119 3.412 1.00 0.00 N ATOM 788 CA VAL A 63 6.277 0.202 1.990 1.00 0.00 C ATOM 789 C VAL A 63 6.559 -1.104 1.226 1.00 0.00 C ATOM 790 O VAL A 63 6.051 -2.144 1.596 1.00 0.00 O ATOM 791 CB VAL A 63 7.495 1.128 1.944 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.280 2.317 2.887 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.746 0.362 2.392 1.00 0.00 C ATOM 0 H VAL A 63 6.392 -0.982 3.749 1.00 0.00 H new ATOM 0 HA VAL A 63 5.432 0.706 1.521 1.00 0.00 H new ATOM 0 HB VAL A 63 7.626 1.486 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.150 2.973 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.394 2.872 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.143 1.953 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.610 1.025 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.606 0.001 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.912 -0.485 1.726 1.00 0.00 H new ATOM 843 N ARG A 67 9.851 -7.476 -4.144 1.00 0.00 N ATOM 844 CA ARG A 67 9.481 -6.962 -5.498 1.00 0.00 C ATOM 845 C ARG A 67 8.258 -6.028 -5.496 1.00 0.00 C ATOM 846 O ARG A 67 7.288 -6.243 -6.198 1.00 0.00 O ATOM 847 CB ARG A 67 9.235 -8.168 -6.411 1.00 0.00 C ATOM 848 CG ARG A 67 10.603 -8.670 -6.897 1.00 0.00 C ATOM 849 CD ARG A 67 10.427 -10.004 -7.627 1.00 0.00 C ATOM 850 NE ARG A 67 10.188 -11.063 -6.606 1.00 0.00 N ATOM 851 CZ ARG A 67 11.069 -12.008 -6.414 1.00 0.00 C ATOM 852 NH1 ARG A 67 12.275 -11.878 -6.899 1.00 0.00 N ATOM 853 NH2 ARG A 67 10.704 -13.056 -5.729 1.00 0.00 N ATOM 0 HA ARG A 67 10.307 -6.351 -5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.708 -8.955 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.608 -7.886 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.056 -7.936 -7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.279 -8.793 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.589 -9.950 -8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.315 -10.236 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 67 9.331 -11.050 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.526 -11.041 -7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.966 -12.614 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.755 -13.120 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.368 -13.812 -5.561 1.00 0.00 H new ATOM 867 N THR A 68 8.321 -5.005 -4.686 1.00 0.00 N ATOM 868 CA THR A 68 7.200 -4.032 -4.653 1.00 0.00 C ATOM 869 C THR A 68 7.787 -2.677 -5.035 1.00 0.00 C ATOM 870 O THR A 68 8.879 -2.325 -4.635 1.00 0.00 O ATOM 871 CB THR A 68 6.590 -4.003 -3.245 1.00 0.00 C ATOM 872 OG1 THR A 68 5.826 -5.195 -3.189 1.00 0.00 O ATOM 873 CG2 THR A 68 5.564 -2.871 -3.112 1.00 0.00 C ATOM 0 H THR A 68 9.095 -4.805 -4.052 1.00 0.00 H new ATOM 0 HA THR A 68 6.403 -4.303 -5.345 1.00 0.00 H new ATOM 0 HB THR A 68 7.366 -3.886 -2.488 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.048 -5.688 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.148 -2.874 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.051 -1.914 -3.301 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.763 -3.019 -3.836 1.00 0.00 H new ATOM 881 N ARG A 69 7.031 -1.951 -5.805 1.00 0.00 N ATOM 882 CA ARG A 69 7.492 -0.623 -6.275 1.00 0.00 C ATOM 883 C ARG A 69 6.661 0.449 -5.584 1.00 0.00 C ATOM 884 O ARG A 69 5.552 0.745 -5.983 1.00 0.00 O ATOM 885 CB ARG A 69 7.286 -0.543 -7.789 1.00 0.00 C ATOM 886 CG ARG A 69 8.325 0.416 -8.374 1.00 0.00 C ATOM 887 CD ARG A 69 7.938 0.749 -9.819 1.00 0.00 C ATOM 888 NE ARG A 69 7.554 -0.516 -10.512 1.00 0.00 N ATOM 889 CZ ARG A 69 8.400 -1.112 -11.307 1.00 0.00 C ATOM 890 NH1 ARG A 69 9.646 -0.727 -11.333 1.00 0.00 N ATOM 891 NH2 ARG A 69 7.955 -2.086 -12.053 1.00 0.00 N ATOM 0 H ARG A 69 6.104 -2.225 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 69 8.547 -0.475 -6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.389 -1.531 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.279 -0.193 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.374 1.327 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.315 -0.038 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.109 1.456 -9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.773 1.225 -10.334 1.00 0.00 H new ATOM 0 HE ARG A 69 6.627 -0.916 -10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.956 0.037 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.310 -1.190 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.974 -2.359 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.589 -2.574 -12.686 1.00 0.00 H new ATOM 905 N ILE A 70 7.173 0.919 -4.484 1.00 0.00 N ATOM 906 CA ILE A 70 6.443 1.997 -3.769 1.00 0.00 C ATOM 907 C ILE A 70 6.741 3.319 -4.468 1.00 0.00 C ATOM 908 O ILE A 70 7.872 3.758 -4.514 1.00 0.00 O ATOM 909 CB ILE A 70 6.934 2.083 -2.324 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.477 2.052 -2.314 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.398 0.884 -1.541 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.984 2.201 -0.886 1.00 0.00 C ATOM 0 H ILE A 70 8.046 0.612 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 70 5.373 1.787 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 70 6.582 3.007 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.834 1.115 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.871 2.856 -2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.745 0.939 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.308 0.895 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.759 -0.038 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.074 2.179 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.639 3.150 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.602 1.381 -0.277 1.00 0.00 H new ATOM 924 N THR A 71 5.726 3.927 -5.015 1.00 0.00 N ATOM 925 CA THR A 71 5.959 5.223 -5.697 1.00 0.00 C ATOM 926 C THR A 71 5.227 6.262 -4.843 1.00 0.00 C ATOM 927 O THR A 71 4.082 6.542 -5.117 1.00 0.00 O ATOM 928 CB THR A 71 5.385 5.148 -7.133 1.00 0.00 C ATOM 929 OG1 THR A 71 4.007 5.474 -7.020 1.00 0.00 O ATOM 930 CG2 THR A 71 5.391 3.704 -7.647 1.00 0.00 C ATOM 0 H THR A 71 4.764 3.588 -5.019 1.00 0.00 H new ATOM 0 HA THR A 71 7.014 5.479 -5.792 1.00 0.00 H new ATOM 0 HB THR A 71 5.966 5.796 -7.789 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.911 6.329 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.983 3.676 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.413 3.326 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.781 3.082 -6.992 1.00 0.00 H new ATOM 938 N GLY A 72 5.909 6.772 -3.844 1.00 0.00 N ATOM 939 CA GLY A 72 5.343 7.760 -2.854 1.00 0.00 C ATOM 940 C GLY A 72 4.031 8.473 -3.226 1.00 0.00 C ATOM 941 O GLY A 72 3.923 9.680 -3.146 1.00 0.00 O ATOM 0 H GLY A 72 6.884 6.533 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.185 7.237 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.100 8.523 -2.672 1.00 0.00 H new ATOM 945 N GLU A 73 3.087 7.689 -3.664 1.00 0.00 N ATOM 946 CA GLU A 73 1.740 8.187 -4.064 1.00 0.00 C ATOM 947 C GLU A 73 0.810 6.970 -4.127 1.00 0.00 C ATOM 948 O GLU A 73 -0.331 6.971 -3.707 1.00 0.00 O ATOM 949 CB GLU A 73 1.849 8.861 -5.434 1.00 0.00 C ATOM 950 CG GLU A 73 0.491 8.807 -6.136 1.00 0.00 C ATOM 951 CD GLU A 73 0.511 9.769 -7.326 1.00 0.00 C ATOM 952 OE1 GLU A 73 1.333 9.535 -8.197 1.00 0.00 O ATOM 953 OE2 GLU A 73 -0.297 10.683 -7.295 1.00 0.00 O ATOM 0 H GLU A 73 3.199 6.680 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 73 1.349 8.917 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.170 9.896 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.604 8.359 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.282 7.792 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.303 9.082 -5.442 1.00 0.00 H new ATOM 960 N GLU A 74 1.375 5.953 -4.717 1.00 0.00 N ATOM 961 CA GLU A 74 0.666 4.667 -4.921 1.00 0.00 C ATOM 962 C GLU A 74 1.681 3.550 -4.705 1.00 0.00 C ATOM 963 O GLU A 74 2.872 3.731 -4.858 1.00 0.00 O ATOM 964 CB GLU A 74 0.132 4.645 -6.364 1.00 0.00 C ATOM 965 CG GLU A 74 -0.094 3.195 -6.837 1.00 0.00 C ATOM 966 CD GLU A 74 1.221 2.583 -7.341 1.00 0.00 C ATOM 967 OE1 GLU A 74 2.190 3.323 -7.396 1.00 0.00 O ATOM 968 OE2 GLU A 74 1.175 1.402 -7.644 1.00 0.00 O ATOM 0 H GLU A 74 2.330 5.965 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.169 4.541 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.804 5.201 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.839 5.143 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.490 2.596 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.839 3.178 -7.633 1.00 0.00 H new ATOM 975 N VAL A 75 1.193 2.402 -4.349 1.00 0.00 N ATOM 976 CA VAL A 75 2.134 1.277 -4.133 1.00 0.00 C ATOM 977 C VAL A 75 1.786 0.114 -5.041 1.00 0.00 C ATOM 978 O VAL A 75 0.649 -0.311 -5.101 1.00 0.00 O ATOM 979 CB VAL A 75 2.052 0.849 -2.673 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.596 -0.576 -2.512 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.927 1.806 -1.878 1.00 0.00 C ATOM 0 H VAL A 75 0.205 2.195 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 75 3.149 1.597 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 75 1.019 0.869 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.533 -0.873 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.006 -1.262 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.636 -0.607 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.897 1.535 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.954 1.746 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.558 2.824 -2.002 1.00 0.00 H new ATOM 991 N GLU A 76 2.772 -0.305 -5.784 1.00 0.00 N ATOM 992 CA GLU A 76 2.555 -1.476 -6.681 1.00 0.00 C ATOM 993 C GLU A 76 3.288 -2.679 -6.079 1.00 0.00 C ATOM 994 O GLU A 76 4.494 -2.750 -6.157 1.00 0.00 O ATOM 995 CB GLU A 76 3.138 -1.152 -8.061 1.00 0.00 C ATOM 996 CG GLU A 76 3.115 -2.419 -8.922 1.00 0.00 C ATOM 997 CD GLU A 76 3.681 -2.093 -10.307 1.00 0.00 C ATOM 998 OE1 GLU A 76 4.839 -1.707 -10.345 1.00 0.00 O ATOM 999 OE2 GLU A 76 2.922 -2.248 -11.249 1.00 0.00 O ATOM 0 H GLU A 76 3.706 0.105 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 76 1.493 -1.700 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.559 -0.362 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.159 -0.783 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.705 -3.205 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.096 -2.795 -9.011 1.00 0.00 H new ATOM 1006 N VAL A 77 2.562 -3.601 -5.507 1.00 0.00 N ATOM 1007 CA VAL A 77 3.230 -4.790 -4.900 1.00 0.00 C ATOM 1008 C VAL A 77 3.247 -5.829 -6.014 1.00 0.00 C ATOM 1009 O VAL A 77 2.244 -6.457 -6.276 1.00 0.00 O ATOM 1010 CB VAL A 77 2.403 -5.286 -3.674 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.350 -5.798 -2.588 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.616 -4.101 -3.095 1.00 0.00 C ATOM 0 H VAL A 77 1.545 -3.584 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 77 4.235 -4.578 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 77 1.730 -6.083 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.770 -6.144 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.943 -6.623 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.013 -4.992 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.033 -4.436 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.310 -3.322 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.945 -3.703 -3.856 1.00 0.00 H new ATOM 1022 N ARG A 78 4.375 -5.970 -6.657 1.00 0.00 N ATOM 1023 CA ARG A 78 4.458 -6.926 -7.795 1.00 0.00 C ATOM 1024 C ARG A 78 4.985 -8.257 -7.258 1.00 0.00 C ATOM 1025 O ARG A 78 6.007 -8.769 -7.669 1.00 0.00 O ATOM 1026 CB ARG A 78 5.404 -6.292 -8.834 1.00 0.00 C ATOM 1027 CG ARG A 78 5.349 -7.060 -10.157 1.00 0.00 C ATOM 1028 CD ARG A 78 6.218 -8.294 -9.993 1.00 0.00 C ATOM 1029 NE ARG A 78 6.836 -8.660 -11.296 1.00 0.00 N ATOM 1030 CZ ARG A 78 7.886 -9.435 -11.272 1.00 0.00 C ATOM 1031 NH1 ARG A 78 8.244 -9.939 -10.121 1.00 0.00 N ATOM 1032 NH2 ARG A 78 8.530 -9.679 -12.380 1.00 0.00 N ATOM 0 H ARG A 78 5.237 -5.467 -6.444 1.00 0.00 H new ATOM 0 HA ARG A 78 3.495 -7.121 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.125 -5.252 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.424 -6.291 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.323 -7.340 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.711 -6.440 -10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.996 -8.105 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.618 -9.124 -9.620 1.00 0.00 H new ATOM 0 HE ARG A 78 6.453 -8.317 -12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.708 -9.722 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.059 -10.549 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.212 -9.265 -13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.351 -10.284 -12.370 1.00 0.00 H new ATOM 1046 N ASP A 79 4.271 -8.772 -6.297 1.00 0.00 N ATOM 1047 CA ASP A 79 4.704 -10.056 -5.700 1.00 0.00 C ATOM 1048 C ASP A 79 3.549 -10.695 -4.943 1.00 0.00 C ATOM 1049 O ASP A 79 3.391 -11.899 -4.944 1.00 0.00 O ATOM 1050 CB ASP A 79 5.870 -9.785 -4.748 1.00 0.00 C ATOM 1051 CG ASP A 79 6.648 -11.086 -4.548 1.00 0.00 C ATOM 1052 OD1 ASP A 79 6.098 -11.951 -3.888 1.00 0.00 O ATOM 1053 OD2 ASP A 79 7.742 -11.146 -5.083 1.00 0.00 O ATOM 0 H ASP A 79 3.421 -8.365 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 79 5.021 -10.741 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.522 -9.014 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.500 -9.415 -3.792 1.00 0.00 H new ATOM 1058 N SER A 80 2.762 -9.854 -4.324 1.00 0.00 N ATOM 1059 CA SER A 80 1.625 -10.372 -3.515 1.00 0.00 C ATOM 1060 C SER A 80 2.132 -11.562 -2.707 1.00 0.00 C ATOM 1061 O SER A 80 2.034 -12.698 -3.123 1.00 0.00 O ATOM 1062 CB SER A 80 0.482 -10.784 -4.444 1.00 0.00 C ATOM 1063 OG SER A 80 -0.282 -9.593 -4.563 1.00 0.00 O ATOM 0 H SER A 80 2.858 -8.839 -4.344 1.00 0.00 H new ATOM 0 HA SER A 80 1.245 -9.607 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.852 -11.124 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.106 -11.600 -4.023 1.00 0.00 H new ATOM 0 HG SER A 80 -0.338 -9.152 -3.690 1.00 0.00 H new ATOM 1069 N ILE A 81 2.718 -11.221 -1.592 1.00 0.00 N ATOM 1070 CA ILE A 81 3.297 -12.234 -0.667 1.00 0.00 C ATOM 1071 C ILE A 81 2.654 -11.967 0.688 1.00 0.00 C ATOM 1072 O ILE A 81 1.962 -10.982 0.824 1.00 0.00 O ATOM 1073 CB ILE A 81 4.821 -12.006 -0.589 1.00 0.00 C ATOM 1074 CG1 ILE A 81 5.190 -10.653 -1.234 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.527 -13.141 -1.337 1.00 0.00 C ATOM 1076 CD1 ILE A 81 4.715 -9.525 -0.314 1.00 0.00 C ATOM 0 H ILE A 81 2.822 -10.257 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 81 3.116 -13.258 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 81 5.135 -11.993 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.267 -10.588 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.724 -10.562 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.606 -12.992 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.272 -14.095 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.207 -13.145 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.969 -8.562 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.635 -9.591 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.202 -9.617 0.657 1.00 0.00 H new ATOM 1088 N PRO A 82 2.901 -12.815 1.653 1.00 0.00 N ATOM 1089 CA PRO A 82 2.304 -12.671 3.002 1.00 0.00 C ATOM 1090 C PRO A 82 2.127 -11.203 3.416 1.00 0.00 C ATOM 1091 O PRO A 82 1.254 -10.875 4.192 1.00 0.00 O ATOM 1092 CB PRO A 82 3.269 -13.425 3.920 1.00 0.00 C ATOM 1093 CG PRO A 82 4.063 -14.406 3.003 1.00 0.00 C ATOM 1094 CD PRO A 82 3.847 -13.951 1.541 1.00 0.00 C ATOM 0 HA PRO A 82 1.292 -13.075 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.943 -12.735 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.726 -13.968 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.123 -14.394 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.713 -15.429 3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.784 -13.645 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.435 -14.754 0.930 1.00 0.00 H new ATOM 1102 N ALA A 83 2.962 -10.345 2.894 1.00 0.00 N ATOM 1103 CA ALA A 83 2.832 -8.901 3.242 1.00 0.00 C ATOM 1104 C ALA A 83 1.387 -8.424 3.045 1.00 0.00 C ATOM 1105 O ALA A 83 0.832 -7.781 3.914 1.00 0.00 O ATOM 1106 CB ALA A 83 3.757 -8.092 2.336 1.00 0.00 C ATOM 0 H ALA A 83 3.719 -10.577 2.250 1.00 0.00 H new ATOM 0 HA ALA A 83 3.104 -8.761 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.671 -7.033 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.787 -8.416 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.474 -8.248 1.295 1.00 0.00 H new ATOM 1112 N ASP A 84 0.811 -8.789 1.930 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.586 -8.376 1.619 1.00 0.00 C ATOM 1114 C ASP A 84 -1.608 -9.047 2.544 1.00 0.00 C ATOM 1115 O ASP A 84 -2.736 -9.272 2.159 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.893 -8.783 0.175 1.00 0.00 C ATOM 1117 CG ASP A 84 0.000 -8.012 -0.801 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.752 -7.173 -0.329 1.00 0.00 O ATOM 1119 OD2 ASP A 84 -0.127 -8.323 -1.973 1.00 0.00 O ATOM 0 H ASP A 84 1.256 -9.363 1.214 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.664 -7.298 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.736 -9.855 0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.941 -8.587 -0.049 1.00 0.00 H new ATOM 1124 N SER A 85 -1.168 -9.440 3.706 1.00 0.00 N ATOM 1125 CA SER A 85 -2.100 -10.070 4.687 1.00 0.00 C ATOM 1126 C SER A 85 -2.592 -9.054 5.731 1.00 0.00 C ATOM 1127 O SER A 85 -2.232 -9.150 6.889 1.00 0.00 O ATOM 1128 CB SER A 85 -1.348 -11.191 5.401 1.00 0.00 C ATOM 1129 OG SER A 85 -0.274 -10.507 6.033 1.00 0.00 O ATOM 0 H SER A 85 -0.202 -9.353 4.021 1.00 0.00 H new ATOM 0 HA SER A 85 -2.970 -10.451 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.981 -11.704 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.989 -11.945 4.701 1.00 0.00 H new ATOM 0 HG SER A 85 0.552 -10.655 5.526 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.396 -8.103 5.334 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.876 -7.121 6.349 1.00 0.00 C ATOM 1137 C GLY A 86 -4.382 -5.833 5.693 1.00 0.00 C ATOM 1138 O GLY A 86 -4.717 -5.807 4.525 1.00 0.00 O ATOM 0 H GLY A 86 -3.733 -7.965 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.676 -7.568 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.066 -6.885 7.039 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.435 -4.771 6.451 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.935 -3.517 5.831 1.00 0.00 C ATOM 1144 C LEU A 87 -3.778 -2.614 5.416 1.00 0.00 C ATOM 1145 O LEU A 87 -2.860 -2.372 6.173 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.822 -2.777 6.840 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.213 -3.427 6.856 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.156 -4.727 7.664 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -8.198 -2.466 7.529 1.00 0.00 C ATOM 0 H LEU A 87 -4.165 -4.717 7.433 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.508 -3.773 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.376 -2.818 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.902 -1.724 6.570 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.533 -3.642 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.142 -5.191 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.440 -5.409 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.845 -4.507 8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.191 -2.916 7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.872 -2.266 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.234 -1.531 6.970 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.848 -2.166 4.193 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.817 -1.242 3.665 1.00 0.00 C ATOM 1163 C TYR A 88 -3.469 0.123 3.707 1.00 0.00 C ATOM 1164 O TYR A 88 -4.054 0.595 2.755 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.476 -1.611 2.231 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.440 -2.723 2.285 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.789 -3.969 2.757 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -0.141 -2.487 1.893 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.850 -4.971 2.836 1.00 0.00 C ATOM 1170 CE2 TYR A 88 0.800 -3.488 1.975 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.454 -4.739 2.444 1.00 0.00 C ATOM 1172 OH TYR A 88 1.395 -5.746 2.499 1.00 0.00 O ATOM 0 H TYR A 88 -4.587 -2.407 3.532 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.891 -1.278 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.367 -1.941 1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.085 -0.747 1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.806 -4.160 3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.140 -1.513 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.134 -5.945 3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.817 -3.293 1.670 1.00 0.00 H new ATOM 0 HH TYR A 88 2.258 -5.405 2.184 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.387 0.704 4.863 1.00 0.00 N ATOM 1183 CA ALA A 89 -4.003 2.044 5.028 1.00 0.00 C ATOM 1184 C ALA A 89 -2.941 3.030 4.568 1.00 0.00 C ATOM 1185 O ALA A 89 -1.843 3.056 5.083 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.342 2.264 6.502 1.00 0.00 C ATOM 0 H ALA A 89 -2.929 0.319 5.689 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.925 2.158 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.795 3.247 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.042 1.497 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.431 2.205 7.098 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.281 3.837 3.613 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.262 4.781 3.098 1.00 0.00 C ATOM 1194 C CYS A 90 -2.446 6.158 3.698 1.00 0.00 C ATOM 1195 O CYS A 90 -3.524 6.710 3.651 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.399 4.890 1.597 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.241 6.015 0.784 1.00 0.00 S ATOM 0 H CYS A 90 -4.200 3.886 3.173 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.277 4.403 3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.275 3.896 1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.414 5.213 1.366 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.368 6.652 4.239 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.396 8.004 4.856 1.00 0.00 C ATOM 1204 C VAL A 91 -0.671 8.985 3.934 1.00 0.00 C ATOM 1205 O VAL A 91 0.506 8.823 3.678 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.657 7.981 6.192 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.177 9.123 7.070 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -0.910 6.650 6.899 1.00 0.00 C ATOM 0 H VAL A 91 -0.467 6.175 4.280 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.433 8.304 5.008 1.00 0.00 H new ATOM 0 HB VAL A 91 0.412 8.100 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.654 9.114 8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.002 10.075 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.246 8.994 7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.381 6.638 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.979 6.529 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.551 5.832 6.274 1.00 0.00 H new ATOM 1218 N THR A 92 -1.383 9.979 3.484 1.00 0.00 N ATOM 1219 CA THR A 92 -0.767 10.991 2.579 1.00 0.00 C ATOM 1220 C THR A 92 -0.551 12.261 3.381 1.00 0.00 C ATOM 1221 O THR A 92 -1.511 12.871 3.807 1.00 0.00 O ATOM 1222 CB THR A 92 -1.731 11.313 1.442 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.888 11.807 2.104 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.195 10.040 0.750 1.00 0.00 C ATOM 0 H THR A 92 -2.367 10.136 3.704 1.00 0.00 H new ATOM 0 HA THR A 92 0.170 10.608 2.174 1.00 0.00 H new ATOM 0 HB THR A 92 -1.266 11.983 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.668 12.015 3.036 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.882 10.294 -0.057 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.333 9.513 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.703 9.399 1.470 1.00 0.00 H new ATOM 1232 N SER A 93 0.688 12.639 3.542 1.00 0.00 N ATOM 1233 CA SER A 93 0.979 13.864 4.329 1.00 0.00 C ATOM 1234 C SER A 93 1.665 14.882 3.427 1.00 0.00 C ATOM 1235 O SER A 93 2.695 14.604 2.840 1.00 0.00 O ATOM 1236 CB SER A 93 1.902 13.501 5.491 1.00 0.00 C ATOM 1237 OG SER A 93 3.074 13.028 4.845 1.00 0.00 O ATOM 0 H SER A 93 1.503 12.155 3.165 1.00 0.00 H new ATOM 0 HA SER A 93 0.054 14.289 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.112 14.364 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.460 12.738 6.132 1.00 0.00 H new ATOM 0 HG SER A 93 3.229 13.547 4.028 1.00 0.00 H new ATOM 1243 N SER A 94 1.032 16.021 3.332 1.00 0.00 N ATOM 1244 CA SER A 94 1.563 17.125 2.490 1.00 0.00 C ATOM 1245 C SER A 94 1.541 18.421 3.301 1.00 0.00 C ATOM 1246 O SER A 94 0.816 18.537 4.271 1.00 0.00 O ATOM 1247 CB SER A 94 0.655 17.291 1.277 1.00 0.00 C ATOM 1248 OG SER A 94 -0.268 18.289 1.692 1.00 0.00 O ATOM 0 H SER A 94 0.157 16.233 3.811 1.00 0.00 H new ATOM 0 HA SER A 94 2.581 16.900 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.215 17.603 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.151 16.359 1.021 1.00 0.00 H new ATOM 0 HG SER A 94 -0.843 17.929 2.399 1.00 0.00 H new ATOM 1254 N PRO A 95 2.288 19.385 2.828 1.00 0.00 N ATOM 1255 CA PRO A 95 2.607 20.594 3.617 1.00 0.00 C ATOM 1256 C PRO A 95 1.326 21.315 4.038 1.00 0.00 C ATOM 1257 O PRO A 95 1.374 22.295 4.756 1.00 0.00 O ATOM 1258 CB PRO A 95 3.451 21.473 2.685 1.00 0.00 C ATOM 1259 CG PRO A 95 3.707 20.656 1.383 1.00 0.00 C ATOM 1260 CD PRO A 95 2.853 19.377 1.458 1.00 0.00 C ATOM 0 HA PRO A 95 3.141 20.353 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.930 22.403 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.394 21.743 3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.440 21.243 0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.764 20.405 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.066 19.381 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.457 18.486 1.283 1.00 0.00 H new ATOM 1268 N SER A 96 0.207 20.816 3.582 1.00 0.00 N ATOM 1269 CA SER A 96 -1.078 21.463 3.953 1.00 0.00 C ATOM 1270 C SER A 96 -1.876 20.569 4.906 1.00 0.00 C ATOM 1271 O SER A 96 -2.458 21.051 5.858 1.00 0.00 O ATOM 1272 CB SER A 96 -1.892 21.700 2.676 1.00 0.00 C ATOM 1273 OG SER A 96 -2.210 20.390 2.227 1.00 0.00 O ATOM 0 H SER A 96 0.130 19.999 2.977 1.00 0.00 H new ATOM 0 HA SER A 96 -0.873 22.408 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.791 22.283 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.316 22.249 1.931 1.00 0.00 H new ATOM 0 HG SER A 96 -1.386 19.919 1.983 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.892 19.288 4.643 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.686 18.403 5.551 1.00 0.00 C ATOM 1281 C GLY A 97 -2.293 16.925 5.482 1.00 0.00 C ATOM 1282 O GLY A 97 -1.358 16.551 4.804 1.00 0.00 O ATOM 0 H GLY A 97 -1.410 18.828 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.567 18.752 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.743 18.499 5.302 1.00 0.00 H new ATOM 1286 N SER A 98 -3.033 16.129 6.210 1.00 0.00 N ATOM 1287 CA SER A 98 -2.781 14.658 6.232 1.00 0.00 C ATOM 1288 C SER A 98 -4.118 13.908 6.123 1.00 0.00 C ATOM 1289 O SER A 98 -5.056 14.209 6.834 1.00 0.00 O ATOM 1290 CB SER A 98 -2.094 14.296 7.553 1.00 0.00 C ATOM 1291 OG SER A 98 -2.973 14.804 8.547 1.00 0.00 O ATOM 0 H SER A 98 -3.808 16.439 6.796 1.00 0.00 H new ATOM 0 HA SER A 98 -2.144 14.376 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.960 13.219 7.651 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.105 14.748 7.626 1.00 0.00 H new ATOM 0 HG SER A 98 -3.900 14.608 8.295 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.178 12.952 5.234 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.445 12.181 5.065 1.00 0.00 C ATOM 1299 C ASP A 99 -5.098 10.710 4.877 1.00 0.00 C ATOM 1300 O ASP A 99 -4.007 10.389 4.451 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.181 12.698 3.826 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.567 12.052 3.750 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.616 10.930 3.271 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -8.495 12.718 4.177 1.00 0.00 O ATOM 0 H ASP A 99 -3.411 12.673 4.622 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.082 12.300 5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.276 13.783 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.610 12.466 2.927 1.00 0.00 H new ATOM 1309 N THR A 100 -6.026 9.844 5.173 1.00 0.00 N ATOM 1310 CA THR A 100 -5.711 8.398 5.019 1.00 0.00 C ATOM 1311 C THR A 100 -6.837 7.625 4.315 1.00 0.00 C ATOM 1312 O THR A 100 -8.011 7.864 4.524 1.00 0.00 O ATOM 1313 CB THR A 100 -5.447 7.847 6.420 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.481 8.742 6.953 1.00 0.00 O ATOM 1315 CG2 THR A 100 -4.697 6.510 6.369 1.00 0.00 C ATOM 0 H THR A 100 -6.964 10.066 5.506 1.00 0.00 H new ATOM 0 HA THR A 100 -4.835 8.275 4.381 1.00 0.00 H new ATOM 0 HB THR A 100 -6.386 7.735 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.247 8.466 7.864 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.527 6.149 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.291 5.780 5.819 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.739 6.649 5.868 1.00 0.00 H new ATOM 1323 N THR A 101 -6.406 6.711 3.490 1.00 0.00 N ATOM 1324 CA THR A 101 -7.337 5.850 2.691 1.00 0.00 C ATOM 1325 C THR A 101 -7.105 4.374 3.055 1.00 0.00 C ATOM 1326 O THR A 101 -5.970 3.997 3.252 1.00 0.00 O ATOM 1327 CB THR A 101 -7.010 6.087 1.212 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.619 6.376 1.199 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.664 7.377 0.723 1.00 0.00 C ATOM 0 H THR A 101 -5.418 6.517 3.329 1.00 0.00 H new ATOM 0 HA THR A 101 -8.379 6.094 2.897 1.00 0.00 H new ATOM 0 HB THR A 101 -7.331 5.238 0.608 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.328 6.540 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.423 7.531 -0.329 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.745 7.304 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.292 8.218 1.308 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.121 3.543 3.076 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.841 2.128 3.488 1.00 0.00 C ATOM 1339 C TYR A 102 -7.950 1.050 2.401 1.00 0.00 C ATOM 1340 O TYR A 102 -9.015 0.659 1.973 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.790 1.779 4.622 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.268 2.422 5.905 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -8.373 3.783 6.089 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.688 1.647 6.887 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -7.900 4.369 7.246 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.216 2.232 8.045 1.00 0.00 C ATOM 1347 CZ TYR A 102 -7.320 3.596 8.233 1.00 0.00 C ATOM 1348 OH TYR A 102 -6.848 4.181 9.390 1.00 0.00 O ATOM 0 H TYR A 102 -9.088 3.766 2.838 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.788 2.115 3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.795 2.139 4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.857 0.698 4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.828 4.395 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.603 0.579 6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.984 5.437 7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.762 1.618 8.809 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.473 3.491 9.976 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.810 0.556 2.013 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.742 -0.516 0.984 1.00 0.00 C ATOM 1360 C PHE A 103 -6.695 -1.859 1.697 1.00 0.00 C ATOM 1361 O PHE A 103 -5.682 -2.225 2.251 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.448 -0.359 0.181 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.360 1.058 -0.381 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.259 2.148 0.462 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.404 1.257 -1.744 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.209 3.424 -0.053 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.355 2.534 -2.262 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.260 3.619 -1.414 1.00 0.00 C ATOM 0 H PHE A 103 -5.904 0.856 2.373 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.606 -0.454 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.587 -0.562 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.422 -1.085 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.219 1.998 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.477 0.409 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.130 4.272 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -5.391 2.685 -3.331 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.226 4.620 -1.818 1.00 0.00 H new ATOM 1378 N SER A 104 -7.778 -2.579 1.710 1.00 0.00 N ATOM 1379 CA SER A 104 -7.688 -3.893 2.396 1.00 0.00 C ATOM 1380 C SER A 104 -7.011 -4.826 1.398 1.00 0.00 C ATOM 1381 O SER A 104 -7.485 -5.013 0.298 1.00 0.00 O ATOM 1382 CB SER A 104 -9.095 -4.389 2.757 1.00 0.00 C ATOM 1383 OG SER A 104 -9.842 -4.235 1.562 1.00 0.00 O ATOM 0 H SER A 104 -8.678 -2.333 1.298 1.00 0.00 H new ATOM 0 HA SER A 104 -7.124 -3.840 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.078 -5.429 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.525 -3.806 3.572 1.00 0.00 H new ATOM 0 HG SER A 104 -10.353 -3.400 1.601 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.880 -5.357 1.763 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.189 -6.264 0.805 1.00 0.00 C ATOM 1391 C VAL A 105 -4.962 -7.586 1.527 1.00 0.00 C ATOM 1392 O VAL A 105 -4.429 -7.638 2.617 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.856 -5.628 0.352 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.934 -4.109 0.525 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.718 -6.176 1.198 1.00 0.00 C ATOM 0 H VAL A 105 -5.413 -5.209 2.658 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.785 -6.430 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.676 -5.868 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.994 -3.658 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.750 -3.715 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.113 -3.871 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.778 -5.727 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.896 -5.937 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.663 -7.258 1.077 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.417 -8.634 0.907 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.260 -9.969 1.548 1.00 0.00 C ATOM 1407 C ASN A 106 -4.693 -11.008 0.587 1.00 0.00 C ATOM 1408 O ASN A 106 -5.166 -11.180 -0.520 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.624 -10.407 2.077 1.00 0.00 C ATOM 1410 CG ASN A 106 -6.933 -11.836 1.624 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -6.402 -12.796 2.143 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -7.783 -12.012 0.651 1.00 0.00 N ATOM 0 H ASN A 106 -5.883 -8.629 -0.000 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.543 -9.887 2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.634 -10.353 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.397 -9.728 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.000 -12.955 0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.231 -11.207 0.213 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.651 -11.653 1.030 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.043 -12.708 0.176 1.00 0.00 C ATOM 1421 C VAL A 107 -3.184 -14.087 0.825 1.00 0.00 C ATOM 1422 O VAL A 107 -2.821 -14.294 1.966 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.564 -12.394 -0.039 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.852 -12.367 1.317 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.960 -13.506 -0.901 1.00 0.00 C ATOM 0 H VAL A 107 -3.200 -11.499 1.932 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.565 -12.724 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.449 -11.427 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.204 -12.143 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.300 -11.600 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.953 -13.339 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.098 -13.303 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.069 -14.463 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.478 -13.545 -1.859 1.00 0.00 H new ATOM 1435 N SER A 108 -3.735 -14.992 0.067 1.00 0.00 N ATOM 1436 CA SER A 108 -3.912 -16.380 0.576 1.00 0.00 C ATOM 1437 C SER A 108 -3.898 -17.366 -0.590 1.00 0.00 C ATOM 1438 O SER A 108 -4.098 -16.994 -1.728 1.00 0.00 O ATOM 1439 CB SER A 108 -5.250 -16.483 1.309 1.00 0.00 C ATOM 1440 OG SER A 108 -5.370 -17.870 1.588 1.00 0.00 O ATOM 0 H SER A 108 -4.070 -14.831 -0.883 1.00 0.00 H new ATOM 0 HA SER A 108 -3.097 -16.619 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.254 -15.888 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.074 -16.125 0.692 1.00 0.00 H new ATOM 0 HG SER A 108 -6.209 -18.036 2.066 1.00 0.00 H new